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Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STL043434
Synonyms: N-[(E)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]tryptophan
Smiles: OC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)N=C(N(C1=O)C)S
STL043435
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
Smiles: CN(CCNc1nc2c(n1Cc1cccc3c1cccc3)c(O)nc(=O)n2C)C
STL043436
Synonyms: 6-(methoxycarbonyl)-2-{(1E)-1-[(4-methoxyphenyl)iminio]butyl}-5,5-dimethyl-3-oxocyclohex-1-en-1-olate
Smiles: CCC/C(=[NH+]\c1ccc(cc1)OC)/C1=C([O-])C(C(CC1=O)(C)C)C(=O)OC
STL043451
Synonyms: 5-methoxy-2-{[(1-methyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: COc1ccc(c(c1)[O-])CNc1[nH+]c2c(n1C)cccc2
STL043457
Synonyms: 7-(2-ethoxyethyl)-6-hydroxy-3-methyl-8-(methylsulfanyl)-3,7-dihydro-2H-purin-2-one
Smiles: CSc1nc2c(n1CCOCC)c(O)nc(=O)n2C
STL043467
Synonyms: methyl6-hydroxy-1,3-dimethyl-2,4-dioxo-N-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbimidothioate
Smiles: CS/C(=N\c1ccccc1)/c1c(O)n(C)c(=O)n(c1=O)C
STL043469
Synonyms: (2-oxo-1,2-dihydroquinolin-3-yl)methylpyridine-3-carboxylate
Smiles: O=C(c1cccnc1)OCc1cc2ccccc2[nH]c1=O
STL043473
Synonyms: 2-(4-methoxyphenyl)-N-[(2Z)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=C\1/NC(=O)C(S1)C
STL043483
Synonyms: (5Z)-3-(2-ethoxyphenyl)-6-hydroxy-5-[(piperidin-1-ylamino)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccccc1N1C(=O)N=C(/C(=C/NN2CCCCC2)/C1=O)O
STL043487
Synonyms: 4-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoicacid
Smiles: OC(=O)CCCN1C(c2ccc(cc2)F)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O
STL043492
Synonyms: (2Z)-2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-hydroxybut-2-enenitrile
Smiles: COc1cc(ccc1OC)C/C(=C(/c1nc2c([nH]1)cccc2)\C#N)/O
STL043500
Synonyms: (5Z)-3-butyl-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C/c2ccc3c(c2)CCN3CCCCl)/C1=O)O
STL043505
Synonyms: 4-[5-(4-chlorophenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenylbenzenesulfonate
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OS(=O)(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]
STL043514
Synonyms: 8-[4-(2-{[5-bromo-2-(methoxycarbonyl)-1H-indol-3-yl]amino}-2-oxoethyl)piperazin-4-ium-1-yl]-3-methyl-2-oxo-7-propyl-3,7-dihydro-2H-purin-6-olate
Smiles: CCCn1c(nc2c1c([O-])nc(=O)n2C)N1CC[NH+](CC1)CC(=O)Nc1c([nH]c2c1cc(Br)cc2)C(=O)OC
STL043520
Synonyms: 3-fluoro-N-[(4Z)-2-(2-fluorophenyl)quinazolin-4(3H)-ylidene]aniline
Smiles: Fc1cccc(c1)/N=c/1\[nH]c(nc2c1cccc2)c1ccccc1F
STL043521
Synonyms: 6-chloro-4-ethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-2H-chromen-7-olate
Smiles: CCc1cc(=O)oc2c1cc(Cl)c(c2C[NH+]1CCN(CC1)C)[O-]
STL043524
Synonyms: (1E,2E)-1-{1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: CC[NH+](CCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/C=C/c2ccccc2)\[O-])/C(=O)C1=O)CC
STL043528
Synonyms: 1-{3-(3,4-dimethoxyphenyl)-1-hydroxy-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one
Smiles: CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(c(c2)OC)OC)C1c1ccc(cc1)C(F)(F)F
STL043540
Synonyms: 4-(4-ethoxyphenyl)-7-hydroxy-1-(pentan-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CC)CC)O
STL043541
Synonyms: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-5-[4-(propan-2-yl)phenyl]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1scnn1)/O
STL043542
Synonyms: [11-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](phenyl)methanone
Smiles: CCOc1cc(ccc1O)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)(C)C
STL043555
Synonyms: (5E)-3-(4-fluorophenyl)-6-hydroxy-5-({1-[2-(2-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccccc1OCCn1cccc1/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)F)O
STL043575
Synonyms: 1-[(2Z)-5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)COc1cccc(c1C)C
STL043580
Synonyms: (6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl2-fluorobenzoate
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)COC(=O)c1ccccc1F
STL043589
Synonyms: 3-{(1Z)-1-[2-([1,2,4]triazolo[4,3-b]pyridazin-5-ium-6-yl)hydrazinylidene]ethyl}phenolate
Smiles: [O-]c1cccc(c1)/C(=N\Nc1ccc2n([nH+]1)cnn2)/C
STL043592
Synonyms: N-(6-bromo-2-hydroxy-4-phenylquinolin-3-yl)benzenesulfonamide
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)NS(=O)(=O)c1ccccc1
STL043598
Synonyms: N-(4-ethoxyphenyl)-2-methoxy-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: COCC(=O)N(c1ccc(cc1)OCC)Cc1cc2ccc(cc2[nH]c1=O)C
STL043605
Synonyms: ethyl(2E)-2-cyano-3-(5,6,7,8-tetrahydro-2H-pyrazolo[3,4-b]quinolin-3-ylamino)prop-2-enoate
Smiles: CCOC(=O)/C(=C/Nc1[nH]nc2c1cc1CCCCc1n2)/C#N
STL043606
Synonyms: 2,4-dibromo-6-[(E)-{2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-2-yl)carbonyl]hydrazinylidene}methyl]phenolate
Smiles: Brc1cc(/C=N/NC(=O)c2[nH+]c3n(n2)c(C)cc(n3)C)c(c(c1)Br)[O-]
STL043625
Synonyms: 2-ethyl-5-hydroxy-4-[(1-methyl-1H-benzimidazol-3-ium-2-yl)acetyl]phenolate
Smiles: CCc1cc(c(cc1[O-])O)C(=O)Cc1[nH+]c2c(n1C)cccc2
STL043634
Synonyms: (2-oxo-1,2-dihydroquinolin-3-yl)methyl3-methoxybenzoate
Smiles: COc1cccc(c1)C(=O)OCc1cc2ccccc2[nH]c1=O
STL043643
Synonyms: (7E)-7-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)iminio]-4-nitrocyclohepta-1,3,5-trien-1-olate
Smiles: [O-][N+](=O)c1ccc(/c(=[NH+]/c2c(C)n(n(c2=O)c2ccccc2)C)/cc1)[O-]
STL043694
Synonyms: N-(2-{2-[(Z)-(4-hydroxy-2,6-dioxo-1-phenyl-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-3-yl}ethyl)propanamide
Smiles: CCC(=O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)c2ccccc2)O)[nH]c2c1cccc2
STL043699
Synonyms: (2Z)-2-[(6-chloro-4-phenylquinazolin-2-yl)imino]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-ol
Smiles: Clc1ccc2c(c1)c(nc(n2)/N=c/1\nc(O)c2c([nH]1)CCC2)c1ccccc1
STL043708
Synonyms: 1-(2-{[(2E)-6-ethoxy-4-methylquinazolin-2(1H)-ylidene]amino}-4,6-dimethylpyrimidin-5-yl)ethanone
Smiles: CCOc1ccc2c(c1)c(C)n/c(=N/c1nc(C)c(c(n1)C)C(=O)C)/[nH]2
STL043709
Synonyms: {(3Z)-3-[(2Z)-4-hydroxy-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-5(2H)-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}aceticacid
Smiles: OC(=O)CN1c2ccccc2/C(=C\2/S/C(=N\c3cccc(c3)C(F)(F)F)/N=C2O)/C1=O
STL043713
Synonyms: 2,3-dihydro-1H-phenothiazin-4-ol
Smiles: OC1=C2Sc3ccccc3N=C2CCC1
STL043724
Synonyms: (E)-(4-methoxy-3-methylphenyl)[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccccc1C1/C(=C(/c2ccc(c(c2)C)OC)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
STL043725
Synonyms: 1-[4-(ethoxycarbonyl)phenyl]-5-[(S)-{1-[4-(ethoxycarbonyl)phenyl]-4,6-dihydroxy-2-oxo-1,2-dihydropyrimidin-5-yl}(pyridinium-4-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CCOC(=O)c1ccc(cc1)n1c(=O)nc(c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(c1=O)c1ccc(cc1)C(=O)OCC)c1cc[nH+]cc1)O
STL043732
Synonyms: 2-[(1-cyclohexyl-5-ethyl-6-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Smiles: CCc1c(=O)nc(n(c1O)C1CCCCC1)SCC(=O)Nc1ccc(cc1)C
STL043733
Synonyms: 5-(4-bromophenyl)-7-(4-ethylphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CCc1ccc(cc1)C1C=C(N=c2n1nc[nH]2)c1ccc(cc1)Br
STL043742
Synonyms: (5Z)-1-(2-fluorophenyl)-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\NN1CCCCC1)c1ccccc1F
STL043746
Synonyms: 4-(morpholin-4-yl)-9-sulfanyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-ol
Smiles: Sc1nc(O)c2c(n1)c1c(s2)nc(c2c1CCC2)N1CCOCC1
STL043748
Synonyms: 2-[(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl
STL043749
Synonyms: N-{(E)-amino[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]methylidene}-2-phenyl-2-(phenylsulfanyl)acetamide
Smiles: N/C(=N\C(=O)C(c1ccccc1)Sc1ccccc1)/N=c/1\oc2c([nH]1)cccc2
STL043750
Synonyms: 4-[(4-bromo-1H-pyrazol-2-ium-1-yl)methyl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)Cn1[nH+]cc(c1)Br
STL043760
Synonyms: N-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-3-carboxamide
Smiles: O=C(N(Cc1cc2ccccc2[nH]c1=O)C)c1cccnc1
STL043771
Synonyms: 4-[(E)-{2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)acetyl]hydrazinylidene}methyl]-2,6-dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)Cc2c(C)[nH]nc2O)cc(c1OC(=O)C)OC
STL043778
Synonyms: N-[(4E)-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]-3-methoxyaniline
Smiles: COc1cccc(c1)/N=c\1/nc[nH]c2c1cn[nH]2
STL043790
Synonyms: (5E)-5-({1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}methylidene)-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccccc2F)/C(=N1)O
STL043805
Synonyms: N'-[(E)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=O)N=C(N(C1=O)CCCC)S
STL043807
Synonyms: (2-oxo-1,2-dihydroquinolin-3-yl)methylfuran-2-carboxylate
Smiles: O=C(c1ccco1)OCc1cc2ccccc2[nH]c1=O
STL043814
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-]
STL043822
Synonyms: 2-methoxy-N-methyl-5-{[(1Z)-4-methylphthalazin-1(2H)-ylidene]amino}benzamide
Smiles: CNC(=O)c1cc(ccc1OC)/N=c/1\[nH]nc(c2c1cccc2)C
STL043830
Synonyms: 4-{(E)-[(3-cyclohexyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}-2,6-dimethoxyphenylacetate
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2C2CCCCC2)cc(c1OC(=O)C)OC
STL043833
Synonyms: 4-benzyl-5-(4-butoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCCCOc1ccc(cc1)c1n[nH]c(=S)n1Cc1ccccc1
STL043846
Synonyms: N-butyl-3,4-dimethoxy-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCCCN(C(=O)c1ccc(c(c1)OC)OC)Cc1cc2cc(C)ccc2[nH]c1=O
STL043855
Synonyms: N'-[(E)-(2,4-dihydroxy-6-methylpyrimidin-5-yl)methylidene]-4-propoxybenzohydrazide
Smiles: CCCOc1ccc(cc1)C(=O)N/N=C/c1c(C)nc(nc1O)O
STL043863
Synonyms: 4-hydroxy-2,6-diphenyl-3-(propan-2-yl)-4-propylpiperidinium
Smiles: CCCC1(O)CC([NH2+]C(C1C(C)C)c1ccccc1)c1ccccc1
STL043867
Synonyms: 2-{[3-cyano-5-hydroxy-4-(2-methylphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)OC)N=C2C(=C(O)CCC2)C1c1ccccc1C
STL043878
Synonyms: N-[2-hydroxy-3-(2-hydroxy-4,4-dimethyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)propyl]-N-(3-nitrophenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])CN1C(=NC(C1=O)(C)C)O
STL043879
Synonyms: 5-[2-(morpholin-4-yl)ethyl]-N-[(2E)-4,6,7-trimethylquinazolin-2(1H)-ylidene]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1cc2c(C)n/c(=N/C3=NCN(CN3)CCN3CCOCC3)/[nH]c2cc1C
STL043906
Synonyms: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
Smiles: S=C(Nc1cc(cc(c1O)Cl)[N+](=O)[O-])NC(=O)c1ccccc1
STL043907
Synonyms: {(3E)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}aceticacid
Smiles: OC(=O)CN1C(c2ccccc2)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O
STL043911
Synonyms: 4-{(1E)-N-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]propanimidoyl}phenolate
Smiles: CC/C(=N\N1CC[NH+](CC1)c1ccc(cc1)Cl)/c1ccc(cc1)[O-]
STL043913
Synonyms: 1-(4-ethoxyphenyl)-3-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: CCOc1ccc(cc1)NC(=O)/N=c/1\[nH]nc(s1)C
STL043917
Synonyms: 2-hydroxy-1-(3-methylbutyl)-4-oxo-N-(pyridin-3-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CC(CCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2c1cccc2)C
STL043918
Synonyms: (4E)-5-(2-fluorophenyl)-1-(2-hydroxyethyl)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]pyrrolidine-2,3-dione
Smiles: OCCN1C(=O)C(=O)/C(=C(\C=C\c2ccccc2)/O)/C1c1ccccc1F
STL043919
Synonyms: 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoicacid
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCCC(=O)O
STL043924
Synonyms: 4-fluoro-N-[(4E)-1-phenyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]aniline
Smiles: Fc1ccc(cc1)/N=c\1/nc[nH]c2c1cnn2c1ccccc1
STL043927
Synonyms: 3-(1-methyl-1H-benzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxo-2H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCOCC1)oc(=O)c(c2)c1nc2c(n1C)cccc2
STL043933
Synonyms: (5Z)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-3-(4-methoxybenzyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)CN1C(=O)N=C(/C(=C/NCCCn2cncc2)/C1=O)O
STL043936
Synonyms: (4E)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-[3-methoxy-4-(pentyloxy)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(o2)C)\O)/C(=O)C(=O)N1c1noc(c1)C
STL043939
Synonyms: (5Z)-6-hydroxy-3-(4-methoxyphenyl)-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C/NCCCN2CCOCC2)/C1=O)O
STL043945
Synonyms: 4-[5-(2-hydroxy-8-methylquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cc2cccc(c2nc1O)C)c1ccccc1
STL043946
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: Fc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C
STL043952
Synonyms: (E)-[2-(2-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)Cc1ccc[nH+]c1)/[O-]
STL043964
Synonyms: N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
Smiles: CCc1n[nH]/c(=N\C(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)/s1
STL043968
Synonyms: 5-fluoro-2-hydroxy-6'-methyl-2'-(methylsulfanyl)-4H-1,4'-bipyrimidin-4-one
Smiles: CSc1nc(C)cc(n1)n1cc(F)c(=O)nc1O
STL043969
Synonyms: N-(3-fluorobenzyl)-3-hydroxy-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide
Smiles: Fc1cccc(c1)CNC(=O)c1c(=O)c2cccc3c2n(c1O)CCC3
STL043975
Synonyms: N-[2-(2-{(Z)-[1-(2-fluorophenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)c2ccccc2F)O)[nH]c2c1cccc2
STL043998
Synonyms: (4-{(E)-[1-(4-ethylphenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}phenoxy)aceticacid
Smiles: CCc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(cc2)OCC(=O)O)/C1=O)O
STL043999
Synonyms: (5Z)-3-benzyl-5-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCN1CCc2c1ccc(c2)/C=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O
STL044002
Synonyms: 5-cyclopropyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Smiles: SC1=NC(NN1c1ccccc1)(C)C1CC1
STL044009
Synonyms: N-ethyl-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]furan-2-carboxamide
Smiles: CCN(C(=O)c1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O
STL044018
Synonyms: N,N'-benzene-1,3-diylbis[2-(4-hydroxy-2-oxo-2,5-dihydro-1,3-thiazol-5-yl)acetamide]
Smiles: O=C(Nc1cccc(c1)NC(=O)CC1SC(=O)N=C1O)CC1SC(=O)N=C1O
STL044020
Synonyms: 1-(4,6-dimethylpyrimidin-2-yl)-2-(6-methylpyridin-2-yl)guanidine
Smiles: Cc1cccc(n1)/N=C(/Nc1nc(C)cc(n1)C)\N
STL044023
Synonyms: (5Z)-5-({[4-(diethylamino)phenyl]amino}methylidene)-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CCN(c1ccc(cc1)N/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)CC
STL044032
Synonyms: 2-hydroxy-N'-{(E)-[1-(3-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzohydrazide
Smiles: COc1cccc(c1)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2O)/C1=O)S
STL044044
Synonyms: 5-{2-[4-(propan-2-yloxy)phenyl]ethyl}-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C=CCn1c(CCc2ccc(cc2)OC(C)C)n[nH]c1=S
STL044061
Synonyms: 4-hydroxy-2-oxo-N-[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CCCc1n[nH]/c(=N\C(=O)c2c(=O)[nH]c3c(c2O)CCCC3)/s1
STL044065
Synonyms: 1-butyl-2-hydroxy-4-oxo-N-(pyrazin-2-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2c1cccc2
STL044068
Synonyms: (5Z)-5-(4-fluorobenzylidene)-6-hydroxy-3-(3-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cccc(c1)N1C(=O)N=C(/C(=C/c2ccc(cc2)F)/C1=O)O
STL044099
Synonyms: 1-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(phenylacetyl)carbamimidoyl]piperidine-4-carboxamide
Smiles: O=C(N/C(=N/c1nc(C)cc(n1)C)/N1CCC(CC1)C(=O)N)Cc1ccccc1
STL044118
Synonyms: N-(5,7-diphenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
Smiles: CC(=O)Nc1nn2c(=NC(=CC2c2ccccc2)c2ccccc2)[nH]1
STL044119
Synonyms: 3-(6-sulfanyl-9H-purin-9-yl)propanenitrile
Smiles: N#CCCn1cnc2c1ncnc2S
STL044123
Synonyms: (5E)-1-(3-methylphenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C\NCCN2CCCCC2)/C1=O)S
STL044126
Synonyms: 6-methyl-2-phenyl-1,2,4-triazaspiro[4.5]dec-3-ene-3-thiol
Smiles: SC1=NC2(NN1c1ccccc1)CCCCC2C
STL044135
Synonyms: 4-{[(E)-(4-methoxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)/C=N/n1c(COc2ccccc2)n[nH]c1=S
STL044143
Synonyms: (5Z)-3-[2-(cyclohex-1-en-1-yl)ethyl]-6-hydroxy-5-{[(3-hydroxypropyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: OCCCN/C=C\1/C(=NC(=O)N(C1=O)CCC1=CCCCC1)O
STL044158
Synonyms: 7-(3-bromobenzyl)-8-{[2-(dimethylamino)ethyl]amino}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CN(CCNc1nc2c(n1Cc1cccc(c1)Br)c(O)nc(=O)n2C)C
STL044162
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: Cc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-]
STL044175
Synonyms: N-cyclohexyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]cyclohexanecarboxamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)C1CCCCC1)C1CCCCC1
STL044186
Synonyms: N'-[(E)-(1-ethyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]benzohydrazide
Smiles: CCN1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O)S
STL044188
Synonyms: 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]butanoicacid
Smiles: OC(=O)CCCN1C(c2ccc(cc2)C)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O
STL044217
Synonyms: 4-benzyl-5-[(2-methylphenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccccc1OCc1n[nH]c(=S)n1Cc1ccccc1
STL044229
Synonyms: N,N-diethyl-5-(4-hydroxyphthalazin-1-yl)-2-methylbenzenesulfonamide
Smiles: CCN(S(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)O)CC
STL044246
Synonyms: 2-[(1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
Smiles: N#CC1C(=NC(=C(C21CCCCC2)C#N)SCC(=O)Nc1ccc(cc1C)C)O
STL044249
Synonyms: 6-chloro-3-[(Z)-2-hydroxy-2-phenylethenyl]-2H-1,4-benzoxazin-2-one
Smiles: Clc1ccc2c(c1)nc(c(=O)o2)/C=C(/c1ccccc1)\O
STL044252
Synonyms: (E)-[2-(2-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: [O-]/C(=C/1\C(c2ccccc2F)N(C(=O)C1=O)c1ccc[nH+]c1)/c1ccccc1
STL044255
Synonyms: 2-methyl-5-[(2-methyl-1H-benzimidazol-6-yl)methyl]-1H-benzimidazole
Smiles: Cc1[nH]c2c(n1)cc(cc2)Cc1ccc2c(c1)[nH]c(n2)C
STL044258
Synonyms: 11-hydroxy-7,7-dimethyl-10-(pyridin-3-yl)-6,7,8,10-tetrahydro-9H-indeno[1,2-b]quinolin-9-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccnc1)C1=C(O)c3c(C1=N2)cccc3
STL044282
Synonyms: 3-cyclohexyl-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Sc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCCC3
STL044284
Synonyms: N-[4-hydroxy-2,6-dioxo-1-phenyl-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Smiles: CC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccccc1)C(F)(F)F
STL044295
Synonyms: N'-{(Z)-[4-hydroxy-1-(3-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C/NNC(=O)c2ccncc2)/C1=O)O
STL044299
Synonyms: N-ethyl-4-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCN(C(=O)c1ccc(cc1)C)Cc1cc2cc(C)ccc2[nH]c1=O
STL044311
Synonyms: N-(4-ethoxyphenyl)-2,2-dimethyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: CCOc1ccc(cc1)N(C(=O)C(C)(C)C)Cc1cc2ccccc2[nH]c1=O
STL044312
Synonyms: (E)-(4-chlorophenyl){2-(4-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
STL044316
Synonyms: 2-{(4Z)-4-[(2-methoxyphenyl)imino]-3,4-dihydroquinazolin-2-yl}phenol
Smiles: COc1ccccc1/N=c/1\[nH]c(nc2c1cccc2)c1ccccc1O
STL044317
Synonyms: (5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(2-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/Nc1c(C)n(n(c1=O)c1ccccc1)C)c1ccccc1F
STL044320
Synonyms: N-acetyl-N-[(5E)-5-(acetylimino)-4,5-dihydro-1H-tetrazol-1-yl]acetamide
Smiles: CC(=O)/N=c/1\[nH]nnn1N(C(=O)C)C(=O)C
STL044331
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccccc1F)C
STL044350
Synonyms: (5Z)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/NC2CCN(CC2)Cc2ccccc2)/C(=O)N1Cc1ccco1
STL044361
Synonyms: (5Z)-5-({[4-(diethylamino)phenyl]amino}methylidene)-6-hydroxy-3-(2,4,6-trimethylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CCN(c1ccc(cc1)N/C=C\1/C(=NC(=O)N(C1=O)c1c(C)cc(cc1C)C)O)CC
STL044373
Synonyms: 4-hydroxy-2-oxo-N-[(2E)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2(3H)-ylidene]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)CCCC2)/N=c\1/scc([nH]1)C12CC3CC(C2)CC(C1)C3
STL044374
Synonyms: 1'-methyl-2'-sulfanyl-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-8a'(4a'H)-ol
Smiles: SC1=NC2(CCCCC2)C2C(N1C)(O)CCCC2
STL044376
Synonyms: 3-{(E)-[(2E)-(6-methyl-4-phenylquinazolin-2(3H)-ylidene)hydrazinylidene]methyl}quinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)c([nH]/c(=N\N=C\c1cc3ccccc3[nH]c1=O)/n2)c1ccccc1
STL044382
Synonyms: (5E)-5-({[3-(dimethylamino)propyl]amino}methylidene)-2-sulfanyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione
Smiles: CN(CCCN/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)C(F)(F)F)S)C
STL044383
Synonyms: N-(3,4-dichlorophenyl)-2-{[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-1-carboxamide
Smiles: Cc1cc(C)[nH]/c(=N\C2=NC3C(N2C(=O)Nc2ccc(c(c2)Cl)Cl)CCCC3)/n1
STL044384
Synonyms: 2-ethoxy-N-[(7E)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-ylidene]aniline
Smiles: CCOc1ccccc1/N=c/1\cc(C)[nH]c2n1ncn2
STL044386
Synonyms: N-[(1Z)-4-methylphthalazin-1(2H)-ylidene]naphthalen-1-amine
Smiles: Cc1n[nH]/c(=N\c2cccc3c2cccc3)/c2c1cccc2
STL044388
Synonyms: 5-(2,3-dimethoxyphenyl)-4-hydroxy-1,3-dimethyl-3,5-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6-dione
Smiles: COc1cccc(c1OC)C1C2=C(N=c3c1c(O)n(C)c(=O)n3C)c1c(C2=O)cccc1
STL044389
Synonyms: 8-{[(2,4-dichlorophenyl)carbonyl]oxy}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolinium-4-carboxylate
Smiles: [O-]C(=O)C1[NH2+]c2ccc(cc2C2C1CC=C2)OC(=O)c1ccc(cc1Cl)Cl
STL044401
Synonyms: (E)-[2-(4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)Cc1ccc[nH+]c1)/[O-]
STL044410
Synonyms: (5Z)-3-[2-(cyclohex-1-en-1-yl)ethyl]-6-hydroxy-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/NCC2CCCO2)/C(=O)N1CCC1=CCCCC1
STL044429
Synonyms: 4-ethoxy-N-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-5-yl)benzamide
Smiles: CCOc1ccc(cc1)C(=O)Nc1c[nH]c(=O)nc1O
STL044432
Synonyms: 2-{(E)-[2-({4-[(4-bromophenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]methyl}benzoate
Smiles: O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccccc1C(=O)[O-]
STL044435
Synonyms: N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-{(4Z)-4-[(2-methylphenyl)imino]-3,4-dihydrophthalazin-1-yl}benzenesulfonamide
Smiles: OCC(NS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N\c2ccccc2C)/c2c1cccc2)(C)C
STL044440
Synonyms: methyl2-[({[(5Z)-5-{[(2-chlorophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1n[nH]/c(=N/C(=O)c2ccccc2Cl)/s1
STL044465
Synonyms: (5Z)-5-[4-(dimethylamino)benzylidene]-4-sulfanyl-1,3-oxazole-2(5H)-thione
Smiles: CN(c1ccc(cc1)/C=C/1\OC(=S)N=C1S)C
STL044477
Synonyms: (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1ccc(c(c1)OCC)O
STL044479
Synonyms: pentyl2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
Smiles: CCCCCOC(=O)C(c1c(C)nc(nc1O)S)C
STL044481
Synonyms: 6-chloro-3-ethyl-4-methyl-2-oxo-8-(piperidinium-1-ylmethyl)-2H-chromen-7-olate
Smiles: CCc1c(=O)oc2c(c1C)cc(c(c2C[NH+]1CCCCC1)[O-])Cl
STL044485
Synonyms: 2-(4-{[(1E)-4-[3-(dimethylsulfamoyl)-4-methylphenyl]phthalazin-1(2H)-ylidene]amino}phenoxy)-N-methylacetamide
Smiles: CNC(=O)COc1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N(C)C)C
STL044491
Synonyms: 4-[({[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)[O-])[nH+]nc1c1cccnc1
STL044499
Synonyms: 4-{[(E)-(1-cyclopropyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S
STL044501
Synonyms: 6,8-dimethyl-2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione
Smiles: Cc1cc(C)c2c(c1)c1n[nH]c(=S)nc1[nH]2
STL044502
Synonyms: (2Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(thiophen-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C(\c1cccs1)/O)/c1nc2c([nH]1)cccc2
STL044505
Synonyms:
Smiles: OC(=O)c1cc(cc(c1)C(=O)O)NS(=O)(=O)c1cccc2c1nsn2
STL044506
Synonyms: (E)-(4-fluorophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
STL044508
Synonyms: 1-[(E)-amino{[(2Z)-4,6,7-trimethylquinazolin-2(3H)-ylidene]amino}methylidene]-3-cyclohexylurea
Smiles: N/C(=N\C(=O)NC1CCCCC1)/N=c\1/[nH]c(C)c2c(n1)cc(c(c2)C)C
STL044519
Synonyms: 2-(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-1-ium-2-yl)naphthalen-1-olate
Smiles: [O-]c1c(ccc2c1cccc2)c1[nH+]c2n(n1)cnc1c2c(c2ccccc2)c(o1)c1ccccc1
STL044530
Synonyms: 3-{5-[(4-chlorophenyl)ammonio]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
Smiles: [O-]C(=O)CCN1C(=O)SC(C1=O)[NH2+]c1ccc(cc1)Cl
STL044536
Synonyms: [(3E)-3-[hydroxy(phenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)C
STL044544
Synonyms: (5Z)-5-({[3-(diethylamino)propyl]amino}methylidene)-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCN(CCCN/C=C\1/C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)O)CC
STL044574
Synonyms: 2-methoxy-N-(5-methyl-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Smiles: COc1ccccc1C(=O)Nc1nn2c(=NC(=CC2c2ccccc2)C)[nH]1
STL044584
Synonyms: 1-(4-ethoxyphenyl)-3-[(2E)-4-hydroxy-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]guanidine
Smiles: CCOc1ccc(cc1)NC(=N)/N=c\1/nc(O)c2c([nH]1)CCCC2
STL044590
Synonyms: ethyl(2Z)-4-methyl-2-({[(morpholin-4-ylcarbonothioyl)sulfanyl]acetyl}imino)-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N\C(=O)CSC(=S)N2CCOCC2)/[nH]c1C
STL044595
Synonyms: (5Z)-1-acetyl-5-[(2-hydroxy-6-methoxyquinolin-3-yl)methylidene]-2-sulfanyl-1,5-dihydro-4H-imidazol-4-one
Smiles: COc1ccc2c(c1)cc(c(n2)O)/C=C\1/C(=O)N=C(N1C(=O)C)S
STL044596
Synonyms: 1-(2-{[(2E)-4,6-dimethylquinazolin-2(1H)-ylidene]amino}-4-methylpyrimidin-5-yl)ethanone
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/c1ncc(c(n1)C)C(=O)C)/[nH]2
STL044601
Synonyms: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-fluorophenyl)carbamimidoyl]-2-methylpropanamide
Smiles: O=C(C(C)C)N/C(=N\c1ccc(cc1)F)/Nc1nc(C)cc(n1)C
STL044614
Synonyms: (E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)c1cccc[nH+]1)/[O-]
STL044617
Synonyms: 2-{[(2E)-4,7-dimethylquinazolin-2(3H)-ylidene]amino}-7,8-dihydroquinazolin-5(6H)-one
Smiles: Cc1ccc2c(c1)n/c(=N/c1ncc3c(n1)CCCC3=O)/[nH]c2C
STL044621
Synonyms: methyl6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)NCc1ccccc1)O
STL044628
Synonyms: 2-(4,6-dimethylpyrimidin-2-yl)-1-[2-(4-methoxyphenyl)ethyl]guanidine
Smiles: COc1ccc(cc1)CCN/C(=N/c1nc(C)cc(n1)C)/N
STL044631
Synonyms: 6-bromo-4-phenyl-3-(piperidin-1-ylmethyl)quinolin-2-ol
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)CN1CCCCC1
STL044632
Synonyms: 4-hydroxy-N-(3-hydroxypyridin-2-yl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: O=C(c1c(O)n2CCc3c2c(c1=O)ccc3)Nc1ncccc1O
STL044649
Synonyms: (2Z)-1-(2,4-dimethyl-1,3-oxazol-5-yl)-2-(3-hydroxyquinoxalin-2(1H)-ylidene)ethanone
Smiles: Cc1nc(c(o1)C(=O)/C=c/1\[nH]c2ccccc2nc1O)C
STL044652
Synonyms: 3-[(1Z)-2-hydroxy-3,3-dimethylbut-1-en-1-yl]-6-methyl-2H-1,4-benzoxazin-2-one
Smiles: Cc1ccc2c(c1)nc(c(=O)o2)/C=C(/C(C)(C)C)\O
STL044656
Synonyms: 4-bromo-2-{[(1-propyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCCn1c(NCc2cc(Br)ccc2[O-])[nH+]c2c1cccc2
STL044657
Synonyms: {2-[(Z)-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccccc1/C=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O
STL044659
Synonyms: 2-(4-{[(1Z)-4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1(2H)-ylidene]amino}phenoxy)acetamide
Smiles: OCC(NS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N\c2ccc(cc2)OCC(=O)N)/c2c1cccc2)(C)C
STL044670
Synonyms: 2,6-di-tert-butyl-4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenolate
Smiles: O=C(CSc1[nH+]ncn1C)N/N=C/c1cc(c(c(c1)C(C)(C)C)[O-])C(C)(C)C
STL044685
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-6-hydroxy-3-methyl-3,9-dihydro-2H-purin-2-one
Smiles: CCN(CCNc1nc2c([nH]1)n(C)c(=O)nc2O)CC
STL044690
Synonyms: N-[4-cyano-2-hydroxy-5-methyl-3-(trifluoromethyl)-3H-pyrrol-3-yl]-4-(propan-2-yloxy)benzamide
Smiles: N#CC1=C(C)N=C(C1(NC(=O)c1ccc(cc1)OC(C)C)C(F)(F)F)O
STL044701
Synonyms: 2-{[(7E)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-ylidene]amino}benzoicacid
Smiles: OC(=O)c1ccccc1/N=c/1\cc(C)[nH]c2n1ncn2
STL044710
Synonyms: 4-chloro-2-{1-[(1-ethyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl}phenolate
Smiles: CCn1c(NC(c2cc(Cl)ccc2[O-])C)[nH+]c2c1cccc2
STL044718
Synonyms: 2,4-dibromo-6-{[(1-ethyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCn1c(NCc2cc(Br)cc(c2[O-])Br)[nH+]c2c1cccc2
STL044721
Synonyms: 2-fluoro-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-methylbenzamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1ccccc1F)C
STL044722
Synonyms: N-[N'-(4-fluorophenyl)-N-(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)carbamimidoyl]benzamide
Smiles: CCCc1cc(=O)nc([nH]1)N/C(=N\c1ccc(cc1)F)/NC(=O)c1ccccc1
STL044728
Synonyms: (5E)-1-ethyl-5-[(morpholin-4-ylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=NC(=O)/C(=C\NN2CCOCC2)/C1=O)S
STL044737
Synonyms: (2E)-5,5-bis(hydroxymethyl)-2-[(3-hydroxyphenyl)imino]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OCC1(CO)S/C(=N/c2cccc(c2)O)/N=C1O
STL044738
Synonyms: 2-methylpyrimido[1,2-a]benzimidazol-4(10H)-one
Smiles: Cc1cc(=O)n2c(n1)[nH]c1c2cccc1
STL044745
Synonyms: N'-{(E)-[1-(2,5-dimethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2-hydroxybenzohydrazide
Smiles: COc1ccc(c(c1)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2O)/C1=O)S)OC
STL044751
Synonyms: (5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\C=C\c1ccco1)c1ccccc1
STL044764
Synonyms: 6-hydroxy-3-methyl-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: C=CCn1c(SCCN2CCCCC2)nc2c1c(O)nc(=O)n2C
STL044769
Synonyms: (2Z)-4,6-diphenyl-2-[(2Z)-(pyridin-4-ylmethylidene)hydrazinylidene]-1,2-dihydropyrimidine
Smiles: n1ccc(cc1)/C=N\N=c\1/nc(cc([nH]1)c1ccccc1)c1ccccc1
STL044787
Synonyms: 3-fluoro-N-[(4E)-1-(3-methylphenyl)-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]aniline
Smiles: Fc1cccc(c1)/N=c\1/nc[nH]c2c1cnn2c1cccc(c1)C
STL044792
Synonyms: 1-benzyl-2-hydroxy-4-oxo-N-(pyridin-4-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(=O)c2ccccc2n(c1O)Cc1ccccc1)Nc1ccncc1
STL044799
Synonyms: 2-(5-bromo-2,3-dihydroxy-3H-indol-3-yl)cyclohexanone
Smiles: O=C1CCCCC1C1(O)C(=Nc2c1cc(Br)cc2)O
STL044809
Synonyms: (2-{(Z)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1ccccc1/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)F)O
STL044814
Synonyms: (3E)-1-(5-bromo-2,3-dihydroxy-3H-indol-3-yl)-4-(furan-2-yl)but-3-en-2-one
Smiles: O=C(CC1(O)C(=Nc2c1cc(Br)cc2)O)/C=C/c1ccco1
STL044835
Synonyms: 1-butyl-2-hydroxy-4-oxo-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCCn1c(O)c(C(=O)NC23CC4CC(C3)CC(C2)C4)c(=O)c2c1cccc2
STL044838
Synonyms: 2-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-phenylpropanamide
Smiles: CC(C(=O)N(c1ccccc1)Cc1cc2ccccc2[nH]c1=O)C
STL044841
Synonyms: (E)-(4-methoxyphenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1cccc[nH+]1)/[O-]
STL044854
Synonyms: 2-methoxy-6-{[(1-propyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCCn1c(NCc2cccc(c2[O-])OC)[nH+]c2c1cccc2
STL044858
Synonyms: (E)-(2-methylimidazo[1,2-a]pyridin-3-yl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)N(C(/C/1=C(/c1c(C)nc2n1cccc2)\[O-])c1cccs1)CC[NH+]1CCOCC1
STL044859
Synonyms: (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(4-methylpiperazin-1-yl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN1CCN(CC1)N/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
STL044860
Synonyms: 2-(3,4-dimethoxybenzyl)-5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepine-3-thiol
Smiles: COc1cc(ccc1OC)CN1N=C(C)CC(N=C1S)(C)C
STL044864
Synonyms: ethyl6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1cc(OC)c(cc1OC)Cl)O
STL044891
Synonyms: 3-fluoro-N-[(4E)-2-(pyridin-4-yl)quinazolin-4(3H)-ylidene]aniline
Smiles: Fc1cccc(c1)/N=c\1/[nH]c(nc2c1cccc2)c1ccncc1
STL044893
Synonyms: (5E)-5-(2-oxo-2-phenylethylidene)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Smiles: O=C(c1ccccc1)/C=C\1/N=C(NC1=O)S
STL044899
Synonyms: 4-{3-[(1R,2R)-2-phenylcyclopropyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1c(n[nH]c1=S)[C@@H]1C[C@H]1c1ccccc1
STL044902
Synonyms: 2,4-dichloro-6-{[(1-methyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: Clc1cc(CNc2[nH+]c3c(n2C)cccc3)c(c(c1)Cl)[O-]
STL044903
Synonyms: 1-[2-(cyclohex-1-en-1-yl)ethyl]-5-[{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl}(4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl]-4-hydroxy-6-
Smiles: COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)[S-])c1c(O)nc(=S)n(c1O)CCC1=CCCCC1
STL044912
Synonyms: 7-(4-chlorophenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(3H)-one
Smiles: O=C1CC(c2ccc(cc2)Cl)n2c(=N1)[nH]cn2
STL044915
Synonyms: 2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)N=C(CC1c1ccc2c(c1)OCO2)O
STL044918
Synonyms: (5E)-6-hydroxy-2-sulfanyl-5-(2,3,4-trimethoxybenzylidene)pyrimidin-4(5H)-one
Smiles: COc1ccc(c(c1OC)OC)/C=C/1\C(=NC(=NC1=O)S)O
STL044923
Synonyms: 5-(furan-2-yl)-4-{[(E)-(4-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccco1
STL044924
Synonyms: 2-{(6Z)-6-[(4-chlorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
Smiles: Clc1ccc(cc1)/N=c\1/cc(C)nc([nH]1)c1ccccc1O
STL044925
Synonyms: N-[(1Z)-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d][1,2]thiazolo[5,4-b]pyridin-1(2H)-ylidene]benzamide
Smiles: O=C(c1ccccc1)/N=c/1\[nH]sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1
STL044954
Synonyms: N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylphenyl)benzamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(c1ccccc1C)C(=O)c1ccccc1
STL044960
Synonyms: (5E)-1-ethyl-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=NC(=O)/C(=C\c2ccc(s2)[N+](=O)[O-])/C1=O)S
STL044962
Synonyms: 1-[(E)-{2-[(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene}methyl]naphthalen-2-olate
Smiles: O=C(C[NH+]1CCN(CC1)Cc1ccccc1)N/N=C/c1c([O-])ccc2c1cccc2
STL044964
Synonyms: (6Z)-6-[(2E)-(2,5-dimethoxybenzylidene)hydrazinylidene]-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: COc1ccc(cc1/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2)OC
STL044966
Synonyms: 1-(4-{[(2E)-4-hydroxy-1,3-thiazol-2(5H)-ylidene]amino}phenyl)ethanone
Smiles: CC(=O)c1ccc(cc1)/N=C\1/SCC(=N1)O
STL044969
Synonyms: propyl{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cc(Br)c(c(c1)OC)O
STL044971
Synonyms: 4-chloro-N-(2,4-dimethylphenyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1ccc(cc1)Cl)Cc1cc2cccc(c2[nH]c1=O)C
STL044972
Synonyms: (5E)-5-(3,4-dimethoxybenzylidene)-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Smiles: COc1ccc(cc1OC)/C=C/1\C(=NC(=NC1=O)S)O
STL044986
Synonyms: (5Z)-6-hydroxy-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C\c2cccn2C)/C(=N1)O
STK936897
Synonyms: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)acetamide
Smiles: O=C(Cc1c(C)noc1C)Nc1ccc(cc1)F
STK940009
Synonyms: 3-amino-1-(pyrrolidin-1-yl)propan-1-one
Smiles: NCCC(=O)N1CCCC1
STK942247
Synonyms: 3-amino-1-(4-phenylpiperazin-1-yl)propan-1-one
Smiles: NCCC(=O)N1CCN(CC1)c1ccccc1
STK942944
Synonyms: 1-(1H-indol-2-yl)ethanone
Smiles: CC(=O)c1cc2c([nH]1)cccc2
STK943379
Synonyms: [(3,4-dichlorophenyl)sulfonyl]acetonitrile
Smiles: N#CCS(=O)(=O)c1ccc(c(c1)Cl)Cl
STL008905
Synonyms: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
Smiles: N#CCc1onc(n1)c1ccc(cc1)OC
STL044997
Synonyms: 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1cccc(c1)F
STL045007
Synonyms: N-(2-hydroxyethyl)-4-{[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzamide
Smiles: OCCNC(=O)c1ccc(cc1)CSc1nc(O)c2c(n1)sc1c2CCCC1
STL045009
Synonyms: 2,4-dibromo-6-{[(1-butyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCCCn1c(NCc2cc(Br)cc(c2[O-])Br)[nH+]c2c1cccc2
STL045021
Synonyms: N-[(2Z,5Z)-4-hydroxy-5-(5-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-1,3-thiazol-2(5H)-ylidene]-4-methylbenzenesulfonamide
Smiles: COc1ccc2c(c1)/C(=C\1/S/C(=N\S(=O)(=O)c3ccc(cc3)C)/N=C1O)/C(=O)N2
STL045034
Synonyms: N-(4-chlorobenzyl)-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: Clc1ccc(cc1)CNC(=O)c1c(O)nc2c(c1O)CCCC2
STL045048
Synonyms: (3Z)-3-[(2E)-(thiophen-2-ylmethylidene)hydrazinylidene]-4,5-dihydro-3H-[1,2,4]triazino[5,6-b]indole
Smiles: c1csc(c1)/C=N/N=c/1\nnc2c([nH]1)[nH]c1c2cccc1
STL045079
Synonyms: 5-(1H-pyrazol-2-ium-1-ylmethyl)furan-2-carboxylate
Smiles: [O-]C(=O)c1ccc(o1)Cn1ccc[nH+]1
STL045082
Synonyms: 9-(methylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(11H)-one
Smiles: CSc1n[nH]c2n1c(=O)c1c(n2)c2ccccc2CC21CCCCC2
STL045097
Synonyms: (E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)Cc1ccc[nH+]c1)/[O-])C
STL045106
Synonyms: 8-amino-6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(Cc1cccc3c1cccc3)c(n2)N)C
STL045110
Synonyms: 4-chloro-N-[(2Z)-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2(1H)-ylidene]aniline
Smiles: Clc1ccc(cc1)/N=c/1\[nH]c2ccccc2nc1n1nc(cc1C)C
STL045118
Synonyms: N-(5,7-diphenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
Smiles: CCCC(=O)Nc1nn2c(=NC(=CC2c2ccccc2)c2ccccc2)[nH]1
STL045120
Synonyms: N-[2-hydroxy-5-oxo-1-(3-phenylpropyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]furan-2-carboxamide
Smiles: OC1=NC(C(=O)N1CCCc1ccccc1)(NC(=O)c1ccco1)C(F)(F)F
STL045122
Synonyms: 4-[(5,7-diphenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxobutanoicacid
Smiles: O=C(Nc1nn2c(=NC(=CC2c2ccccc2)c2ccccc2)[nH]1)CCC(=O)O
STL045124
Synonyms: N'-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzohydrazide
Smiles: C=CCN1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O)S
STL045125
Synonyms: 2-{[(2E)-6-ethoxy-4-methylquinazolin-2(3H)-ylidene]amino}-1-methylquinazolin-4(1H)-one
Smiles: CCOc1ccc2c(c1)c(C)[nH]/c(=N\c1nc(=O)c3c(n1C)cccc3)/n2
STL045127
Synonyms: (6Z)-6-{(2E)-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinylidene}-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: Cc1nn(c(c1/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2)C)c1ccccc1
STL045129
Synonyms: 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoicacid
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCCC(=O)O
STL045132
Synonyms: (E)-(3-methoxyphenyl)[2-(5-methylfuran-2-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)Cc1ccc[nH+]c1)/[O-]
STL045150
Synonyms: 1-(4-methoxyphenyl)-3-[(2Z)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: COc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)COc1cc(C)ccc1C(C)C
STL045157
Synonyms: 2-[(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]acetamide
Smiles: CCc1c(C)nc([nH]c1=O)SCC(=O)NC(C12CC3CC(C2)CC(C1)C3)C
STL045158
Synonyms: (E)-[4,5-dioxo-2-phenyl-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](4-fluorophenyl)methanolate
Smiles: Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)c1nccc[nH+]1)/[O-]
STL045165
Synonyms: (2Z)-2-[(2E)-(2,3-dimethoxybenzylidene)hydrazinylidene]-4-methyl-1,2-dihydroquinoline
Smiles: COc1c(cccc1OC)/C=N/N=c\1/cc(C)c2c([nH]1)cccc2
STL045170
Synonyms: (2-oxo-1,2-dihydroquinolin-3-yl)methyl2-fluorobenzoate
Smiles: O=C(c1ccccc1F)OCc1cc2ccccc2[nH]c1=O
STL045173
Synonyms: 3-[(ethylamino)methyl]quinolin-2(1H)-one
Smiles: CCNCc1cc2ccccc2[nH]c1=O
STL045179
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CCCn1c[nH+]cc1)c1cccs1
STL045189
Synonyms: 1-(4-fluorophenyl)-4-hydroxy-7-(thiophen-2-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: Fc1ccc(cc1)n1c(=O)nc(c2c1NC(=NC2(C(F)(F)F)C(F)(F)F)c1cccs1)O
STL045194
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COc1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]
STL045208
Synonyms: N-(biphenyl-4-yl)-4-methyl-1-(3-methylphenyl)-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Smiles: Cc1cccc(c1)n1ncc2c1NC=NC2(C)Nc1ccc(cc1)c1ccccc1
STL045219
Synonyms: 3-{(3E)-2-(3-fluorophenyl)-3-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: Fc1cccc(c1)C1N(c2cccc(c2)C(=O)O)C(=O)C(=O)/C/1=C(\C=C\c1ccccc1)/O
STL045221
Synonyms: N'-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2-hydroxybenzohydrazide
Smiles: CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2O)/C1=O)S
STL045225
Synonyms: (E)-furan-2-yl[2-(4-methylphenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1c1nccc[nH+]1
STL045234
Synonyms: N'-(benzo[cd]indol-2-yl)-2-chlorobenzohydrazide
Smiles: O=C(c1ccccc1Cl)NNC1=Nc2c3c1cccc3ccc2
STL045243
Synonyms: 2-{[3-cyano-6-hydroxy-4-(2-methoxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)N=C(CC1c1ccccc1OC)O
STL045248
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(3-ethoxy-4-hydroxyphenyl)-1-(tetrahydrofuran-2-ylmethyl)pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CC1CCCO1
STL045252
Synonyms: 6-[1,3-benzodioxol-5-yl(5-hydroxy-7-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Smiles: O=c1nc2SCCn2c(c1C(c1c(O)nc2n(c1=O)CCS2)c1ccc2c(c1)OCO2)O
STL045270
Synonyms: 4-{[(E)-(4-chlorophenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccncc1
STL045271
Synonyms: 4-[(E)-{2-[(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene}methyl]-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)C[NH+]2CCN(CC2)Cc2ccccc2)ccc1[O-]
STL045275
Synonyms: N-(2,3-dimethylphenyl)-2-hydroxy-6-(4-methoxyphenyl)-4-methyl-1,6-dihydropyrimidine-5-carboxamide
Smiles: COc1ccc(cc1)C1NC(=NC(=C1C(=O)Nc1cccc(c1C)C)C)O
STL045283
Synonyms: N-{N'-[4-(benzyloxy)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl}-2-phenylbutanamide
Smiles: CCC(C(=O)N/C(=N\c1ccc(cc1)OCc1ccccc1)/Nc1nc(C)cc(n1)C)c1ccccc1
STL045285
Synonyms: 6-hydroxy-8-[(4-methoxybenzyl)amino]-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: C=CCn1c(NCc2ccc(cc2)OC)nc2c1c(O)nc(=O)n2C
STL045292
Synonyms: (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(3-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN(CCN/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)C)S)C
STL045298
Synonyms: (4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)c1nc(c(s1)C)C)/O
STL045339
Synonyms: 4-iodo-N-[(4E)-1-methyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]aniline
Smiles: Ic1ccc(cc1)/N=c\1/nc[nH]c2c1cnn2C
STL045346
Synonyms: 2-[(pyridinium-2-ylamino)methyl]phenolate
Smiles: [O-]c1ccccc1CNc1cccc[nH+]1
STL045372
Synonyms: N'-[(E)-(4-fluorophenyl)methylidene]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1c(O)nc2c(c1O)CCCC2
STL045380
Synonyms: 7-(3,4-dimethoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)C1C=C(N=c2n1nc[nH]2)c1ccccc1
STL045382
Synonyms: 6-ethyl-6-methyl-6,11-dihydrobenzo[h]tetrazolo[5,1-b]quinazolin-7(5H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2)[nH]nn1
STL045395
Synonyms: 6-hydroxy-8-[(2-hydroxyethyl)amino]-3-methyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
Smiles: OCCNc1nc2c(n1Cc1cccc3c1cccc3)c(O)nc(=O)n2C
STL045409
Synonyms: 3-[(Z)-(5-hydroxy-2-sulfanyl-4H-imidazol-4-ylidene)methyl]-7-methoxyquinolin-2(1H)-one
Smiles: COc1ccc2c(c1)[nH]c(=O)c(c2)/C=C/1\N=C(N=C1O)S
STL045410
Synonyms: (E)-[2-(4-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1ccc[nH+]c1
STL045412
Synonyms: methyl3-{[(1-hexyl-2-hydroxy-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]amino}thiophene-2-carboxylate
Smiles: CCCCCCn1c(O)c(C(=O)Nc2ccsc2C(=O)OC)c(=O)c2c1cccc2
STL045413
Synonyms: 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol
Smiles: CN(CCSc1nc(O)c(c(n1)O)c1ccccc1)C
STL045417
Synonyms: N-[(2Z)-6-bromo-4-phenylquinazolin-2(1H)-ylidene]-1,3-benzothiazol-2-amine
Smiles: Brc1ccc2c(c1)c(n/c(=N\c1nc3c(s1)cccc3)/[nH]2)c1ccccc1
STL045423
Synonyms: 6-hydroxy-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: Cc1n[nH]/c(=N\C(=O)c2c(O)c3cccc4c3n(c2=O)CC4)/s1
STL045430
Synonyms: (5Z)-5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: SC1=NC(=O)/C(=C/c2ccco2)/C(=O)N1c1ccccc1
STL045437
Synonyms: 5-(propan-2-yl)-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)C(C)C)N/N=C(\c1cccs1)/C
STL045444
Synonyms: (5Z)-3-(3-chloro-4-methylphenyl)-5-[4-(diethylamino)benzylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCN(c1ccc(cc1)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)O)CC
STL045447
Synonyms: 2-hydroxy-N'-[(2Z)-4-oxo-4-(pyridin-3-yl)butan-2-ylidene]benzohydrazide
Smiles: C/C(=N/NC(=O)c1ccccc1O)/CC(=O)c1cccnc1
STL045467
Synonyms: 7-benzyl-2-(morpholin-4-yl)-7H-purin-6-ol
Smiles: Oc1nc(nc2c1n(cn2)Cc1ccccc1)N1CCOCC1
STL045470
Synonyms: 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenyl4-fluorobenzoate
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1OC(=O)c1ccc(cc1)F
STL045476
Synonyms: N-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
Smiles: Fc1ccc(cc1)n1c(=O)nc(c2c1NC(=O)C2(NC(=O)c1cccnc1)C(F)(F)F)O
STL045488
Synonyms: 2-ethyl-N-[(7E)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-ylidene]aniline
Smiles: CCc1ccccc1/N=c/1\cc(C)[nH]c2n1ncn2
STL045501
Synonyms: 4-{[5-(4-chlorophenyl)-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoicacid
Smiles: O=C(Nc1nn2c(=NC(=CC2c2ccccc2)c2ccc(cc2)Cl)[nH]1)CCC(=O)O
STL045506
Synonyms: 6-amino-3-{[(4-methylphenyl)sulfanyl]methyl}-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccnc1)c(CSc1ccc(cc1)C)n[nH]2
STL045513
Synonyms: 2-amino-8-(morpholin-4-yl)-7H-purin-6-ol
Smiles: Nc1nc2nc([nH]c2c(n1)O)N1CCOCC1
STL045519
Synonyms: (E)-{2-(5-methylfuran-2-yl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: Cc1ccc(o1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccccc1)/[O-]
STL045536
Synonyms: (5E)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NC2CCN(CC2)Cc2ccccc2)/C(=O)N1C
STL045546
Synonyms: (6-bromo-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)aceticacid
Smiles: OC(=O)Cc1nn2c([nH]1)nc(c(c2=O)Br)C
STL045554
Synonyms: (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NCCCN1CCOCC1)CCC1=CCCCC1
STL045557
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCn1cc[nH+]c1)/[O-]
STL045560
Synonyms: 1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
Smiles: O=C(N(C)C)Nc1n[nH]nn1
STL045562
Synonyms: 7-[4-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}carbamothioyl)piperazin-1-ium-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Smiles: CCn1cc(C(=O)[O-])c(=O)c2c1cc(c(c2)F)[NH+]1CCN(CC1)C(=S)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
STL045573
Synonyms: 3-{(3E)-2-(2-fluorophenyl)-3-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: OC(=O)c1cccc(c1)N1C(=O)C(=O)/C(=C(\C=C\c2ccccc2)/O)/C1c1ccccc1F
STL045584
Synonyms: 3-hydroxy-4-[(E)-(2-{[4-(4-methylbenzyl)piperazin-1-ium-1-yl]acetyl}hydrazinylidene)methyl]phenolate
Smiles: Cc1ccc(cc1)CN1CC[NH+](CC1)CC(=O)N/N=C/c1ccc(cc1O)[O-]
STL045585
Synonyms: [(4,6-dihydroxy-5-propylpyrimidin-2-yl)sulfanyl]aceticacid
Smiles: CCCc1c(O)nc(nc1O)SCC(=O)O
STL045593
Synonyms: 5-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(n2c(=N1)[nH]cn2)c1ccc(cc1Cl)Cl
STL045595
Synonyms: N,N'-(2-phenyl-2,4-dihydro-3H-1,2,4-triazol-5-yl-3-ylidene)diacetamide
Smiles: CC(=O)Nc1nn(/c(=N/C(=O)C)/[nH]1)c1ccccc1
STL045604
Synonyms: 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}propanehydrazide
Smiles: O=C(CCc1c(C)[nH]nc1O)N/N=C/c1ccc(cc1)C(C)C
STL045607
Synonyms: N-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]morpholine-4-carbimidothioicacid
Smiles: COc1cc(/C=C/C(=O)/N=C(/N2CCOCC2)\S)ccc1OC
STL045609
Synonyms: 5-{[5-(4-chlorophenyl)-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-5-oxopentanoicacid
Smiles: O=C(Nc1nn2c(=NC(=CC2c2ccccc2)c2ccc(cc2)Cl)[nH]1)CCCC(=O)O
STL045612
Synonyms: 7-benzyl-6-hydroxy-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-8-one
Smiles: Oc1n2CCCSc2nc(=O)c1Cc1ccccc1
STL045632
Synonyms: 3-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: OC(=O)c1cccc(c1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1F
STL045646
Synonyms: 2-(4-methoxyphenyl)-4-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole
Smiles: COc1ccc(cc1)C1=CC(n2c(=N1)[nH]c1c2cccc1)c1ccccc1
STL045658
Synonyms: 3-[6-hydroxy-3-methyl-2-oxo-8-(piperidin-1-yl)-2,3-dihydro-7H-purin-7-yl]propanoicacid
Smiles: OC(=O)CCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1
STL045668
Synonyms: methyl(2-hydroxy-6-methyl-4-phenylquinolin-3-yl)acetate
Smiles: COC(=O)Cc1c(O)nc2c(c1c1ccccc1)cc(cc2)C
STL045683
Synonyms: 2,6-dihydroxy-5-[(2E)-3-phenylprop-2-en-1-yl]-5-[2-(pyridin-4-yl)ethyl]pyrimidin-4(5H)-one
Smiles: OC1=NC(=O)C(C(=N1)O)(C/C=C/c1ccccc1)CCc1ccncc1
STL045688
Synonyms: 4-[3-(4-bromophenyl)-3-oxo-2-phenylpropyl]morpholin-4-ium
Smiles: Brc1ccc(cc1)C(=O)C(c1ccccc1)C[NH+]1CCOCC1
STL045694
Synonyms: 4-{(4E)-4-[(2-hydroxyphenyl)imino]-3,4-dihydrophthalazin-1-yl}-N,N-dimethylbenzamide
Smiles: CN(C(=O)c1ccc(cc1)c1n[nH]/c(=N/c2ccccc2O)/c2c1cccc2)C
STL045702
Synonyms: (5Z)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: CN(CCN/C=C\1/C(=NC(=NC1=O)O)O)C
STL045711
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(thiophen-2-yl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)Cc1ccc[nH+]c1)/[O-]
STL045717
Synonyms: 4-{(1Z)-1-[2-(pyridinium-3-ylcarbonyl)hydrazinylidene]propyl}phenolate
Smiles: CC/C(=N/NC(=O)c1ccc[nH+]c1)/c1ccc(cc1)[O-]
STL045718
Synonyms: (E)-1-benzofuran-2-yl{1-[2-(diethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCN1C(c2ccccc2F)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)CC
STL045723
Synonyms: 4-(2,4-dichlorophenyl)-6-hydroxy-2-(propylsulfanyl)-4,5-dihydropyridine-3-carbonitrile
Smiles: CCCSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1Cl)Cl
STL045725
Synonyms: methyl4-{[(1Z)-4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1(2H)-ylidene]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)/N=c/1\[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC(CO)(C)C)C
STL045756
Synonyms: (4-{(E)-[2-hydroxy-4,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}phenoxy)aceticacid
Smiles: C=CCN1C(=NC(=O)/C(=C\c2ccc(cc2)OCC(=O)O)/C1=O)O
STL045763
Synonyms: (3E)-4-(1,3-benzodioxol-5-yl)-1-(5-bromo-2,3-dihydroxy-3H-indol-3-yl)but-3-en-2-one
Smiles: O=C(CC1(O)C(=Nc2c1cc(Br)cc2)O)/C=C/c1ccc2c(c1)OCO2
STL045770
Synonyms: N-[(2E)-5-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-2-oxoethyl}-1,3,4-thiadiazol-2(3H)-ylidene]-2-methylbenzamide
Smiles: O=C(Cc1n[nH]/c(=N\C(=O)c2ccccc2C)/s1)N/N=C/c1ccc(cc1)O
STL045776
Synonyms: N-[2-hydroxy-3-(2-hydroxy-4,4-dimethyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)propyl]-4-nitro-N-phenylbenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)CN1C(=NC(C1=O)(C)C)O
STL045790
Synonyms: methyl(2Z)-[(2Z)-4-hydroxy-2-{[(4-methylphenyl)carbonyl]imino}-1,3-thiazol-5(2H)-ylidene]ethanoate
Smiles: COC(=O)/C=C/1\S/C(=N\C(=O)c2ccc(cc2)C)/N=C1O
STL045797
Synonyms: 1-(2-methylphenyl)-3-[(2E)-5-(thiophen-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: O=C(Nc1ccccc1C)/N=c/1\[nH]nc(s1)c1cccs1
STL045815
Synonyms: 3-hydroxy-1-oxo-N-(4-oxo-2-pentylquinazolin-3(4H)-yl)-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide
Smiles: CCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(=O)c2cccc3c2n(c1O)CCC3
STL045852
Synonyms: N-[(2Z)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-3-methylbenzamide
Smiles: COc1ccc(cc1Br)c1cs/c(=N\C(=O)c2cccc(c2)C)/[nH]1
STL045853
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
STL045854
Synonyms: (5Z)-3-benzyl-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O
STL045860
Synonyms: methyl3-{[(2-hydroxy-1-nonyl-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]amino}thiophene-2-carboxylate
Smiles: CCCCCCCCCn1c(O)c(C(=O)Nc2ccsc2C(=O)OC)c(=O)c2c1cccc2
STL045871
Synonyms: {2-[(E)-(2-{[4-(4-methylbenzyl)piperazin-1-ium-1-yl]acetyl}hydrazinylidene)methyl]phenoxy}acetate
Smiles: [O-]C(=O)COc1ccccc1/C=N/NC(=O)C[NH+]1CCN(CC1)Cc1ccc(cc1)C
STL045880
Synonyms: 4-hydroxy-1-(4-methylphenyl)-7-(pyridin-3-yl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: Cc1ccc(cc1)n1c(=O)nc(c2c1NC(=NC2(C(F)(F)F)C(F)(F)F)c1cccnc1)O
STL045884
Synonyms: 4-({(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}amino)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCN(c1ccc(c(c1)O)/C=N/n1c(COc2ccccc2)n[nH]c1=S)CC
STL045888
Synonyms: 2,4-dihydroxy-N'-[(E)-pyridin-2-ylmethylidene]-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)N/N=C/c1ccccn1
STL045900
Synonyms: (1E)-1-[(3-chloro-4-methylphenyl)imino]-2-ethyl-3-methyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(/c/1=N/c1ccc(c(c1)Cl)C)c1ccccc1[nH]2
STL045903
Synonyms: 5-ammonio-1H-1,2,4-triazole-3-carboxylate
Smiles: [O-]C(=O)c1n[nH]c(n1)[NH3+]
STL045910
Synonyms: (5E)-5-(furan-2-ylmethylidene)-1-(2-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/c1ccco1)c1ccccc1C
STL045913
Synonyms: (5Z)-1-(2-fluorophenyl)-2-sulfanyl-5-(3,4,5-trimethoxybenzylidene)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1c(OC)cc(cc1OC)/C=C\1/C(=O)N=C(N(C1=O)c1ccccc1F)S
STL045917
Synonyms: N-[(2Z)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-3-propoxybenzamide
Smiles: CCCOc1cccc(c1)C(=O)/N=c/1\scc([nH]1)c1ccc(c(c1)Br)OC
STL045921
Synonyms: 6-hydroxy-8-[(3-methoxypropyl)amino]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: COCCCNc1nc2c(n1CCCc1ccccc1)c(O)nc(=O)n2C
STL045922
Synonyms: (5E)-5-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C/Nc2cc(Cl)ccc2Oc2ccccc2)/C(=N1)O
STL045928
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CC[NH+](C)C)/[O-]
STL045930
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-2-hydroxy-1,2,3,5,6,7,8,9-octahydroimidazo[1,2-a]azepin-4-ium
Smiles: Brc1ccc(cc1)C1(O)C[N+]2=C(N1c1ccc3c(c1)OCO3)CCCCC2
STL045932
Synonyms: N-[(E)-2-(2-chlorophenyl)-1-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethenyl]-4-methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)N/C(=C/c1ccccc1Cl)/c1nnc([nH]1)S
STL045938
Synonyms: N-{(E)-amino[(2E)-1,3-benzoxazol-2(3H)-ylideneamino]methylidene}-2-[(phenylcarbonyl)amino]benzamide
Smiles: N/C(=N\C(=O)c1ccccc1NC(=O)c1ccccc1)/N=c\1/oc2c([nH]1)cccc2
STL045942
Synonyms: N-[(2E)-6-ethoxy-4-methylquinazolin-2(1H)-ylidene]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
Smiles: CCOc1ccc2c(c1)c(C)n/c(=N/c1nc(C)cc(n1)C(F)(F)F)/[nH]2
STL045945
Synonyms: 4-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cn1cccc1/C=N/n1c(=S)[nH]nc1c1ccncc1
STL045959
Synonyms: 5-[(3-chloro-4-methoxybenzyl)sulfanyl]-1H-1,2,4-triazole
Smiles: COc1ccc(cc1Cl)CSc1ncn[nH]1
STL045968
Synonyms: 2-[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1n[nH]c2n1c(=O)c1c(n2)c2ccccc2CC21CCCCC2
STL045970
Synonyms: 4-{(E)-[2-({4-[(4-methylphenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]methyl}benzoate
Smiles: O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)N/N=C/c1ccc(cc1)C(=O)[O-]
STL045971
Synonyms: 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-{[(2Z)-6-methoxy-4-methylquinazolin-2(3H)-ylidene]amino}pyrimidin-4(1H)-one
Smiles: COc1ccc2c(c1)c(C)[nH]/c(=N/c1nc(=O)cc([nH]1)CSc1ccc(cc1)Cl)/n2
STL045972
Synonyms: furan-2-yl(1H-imidazol-2-yl)methanone
Smiles: O=C(c1ncc[nH]1)c1ccco1
STL045977
Synonyms: 7-hexyl-6-hydroxy-3-methyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)C
STL045978
Synonyms: N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioicacid
Smiles: O=C(c1ccc(cc1)F)/N=C(/N1CCOCC1)\S
STL045987
Synonyms: N-butyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]butanamide
Smiles: CCCCN(C(=O)CCC)Cc1cc2ccc(cc2[nH]c1=O)C
STL045988
Synonyms: 2-[(E)-{2-[(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene}methyl]-6-(prop-2-en-1-yl)phenolate
Smiles: C=CCc1cccc(c1[O-])/C=N/NC(=O)C[NH+]1CCN(CC1)Cc1ccccc1
STL045999
Synonyms: (5E)-6-hydroxy-5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C/NCCc2c[nH]c3c2cccc3)/C(=N1)O
STL046009
Synonyms: 1-cyclopentyl-4-(4-fluorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: Fc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCC1)O
STL046029
Synonyms: N-[1-(3,5-dimethoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
Smiles: COc1cc(OC)cc(c1)CN1C2=C(C(C1=O)(NC(=O)c1cc(OC)c(c(c1)OC)OC)C(F)(F)F)C(=O)CC(C2)(C)C
STL046032
Synonyms: (E)-(4-chlorophenyl)[2-(2-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)Cc1ccc[nH+]c1)/[O-]
STL046037
Synonyms: N,N-dibenzyl-2-hydroxy-3-(2-hydroxy-4,4-dimethyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)propan-1-aminium
Smiles: OC(CN1C(=NC(C1=O)(C)C)O)C[NH+](Cc1ccccc1)Cc1ccccc1
STL046043
Synonyms: 6-hydroxy-3-methyl-7-(3-methylbutyl)-8-thioxo-3,7,8,9-tetrahydro-2H-purin-2-one
Smiles: CC(CCn1c(=S)[nH]c2c1c(O)nc(=O)n2C)C
STL046063
Synonyms: (4Z)-4-[(4-fluorophenyl)imino]-6-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Fc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CSc1nnc(o1)c1ccncc1
STL046068
Synonyms: N-[4-({(Z)-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O
STL046073
Synonyms: 5-(4-chlorophenyl)-4-{[(E)-pyridin-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccn1
STL046085
Synonyms: 2-{[(2Z)-6-ethyl-4-methylquinazolin-2(3H)-ylidene]amino}-6-(methoxymethyl)pyrimidin-4(1H)-one
Smiles: COCc1cc(=O)nc([nH]1)/N=c/1\nc2ccc(cc2c([nH]1)C)CC
STL046086
Synonyms: (4E)-4-[(2E)-(2-propoxybenzylidene)hydrazinylidene]-3,4-dihydropyrimidin-2(1H)-one
Smiles: CCCOc1ccccc1/C=N/N=c/1\cc[nH]c(=O)[nH]1
STL046089
Synonyms: (3E)-3-[(2-aminophenyl)imino]-5-(3,4-dimethoxyphenyl)cyclohex-1-en-1-ol
Smiles: COc1cc(ccc1OC)C1CC(=C/C(=N/c2ccccc2N)/C1)O
STL046090
Synonyms: 5-benzyl-6-hydroxy-1-(2-methylphenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyrimidin-4(1H)-one
Smiles: O=C(N1CCOCC1)CSc1nc(=O)c(c(n1c1ccccc1C)O)Cc1ccccc1
STL046094
Synonyms: (4E)-4-[(2E)-(2,4-dimethoxybenzylidene)hydrazinylidene]-3,4-dihydropyrimidin-2(1H)-one
Smiles: COc1cc(OC)ccc1/C=N/N=c/1\cc[nH]c(=O)[nH]1
STL046111
Synonyms: 2-(azepan-1-yl)-7-benzyl-7H-purin-6-ol
Smiles: Oc1nc(nc2c1n(cn2)Cc1ccccc1)N1CCCCCC1
STL046116
Synonyms: 6-ethyl-6-methyl-9-(propylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCCSc1n[nH]c2n1c(=O)c1c(n2)c2ccccc2CC1(C)CC
STL046123
Synonyms: N-[(2E)-4,6-dimethylquinazolin-2(1H)-ylidene]-5-(2-phenylethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)CCc1ccccc1)/[nH]2
STL046130
Synonyms: methyl[(2Z)-5-(propylsulfanyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]carbamate
Smiles: CCCSc1ccc2c(c1)[nH]/c(=N\C(=O)OC)/[nH]2
STL046140
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CCC[NH+](C)C)/[O-])C
STL046142
Synonyms: N-cycloheptyl-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)NC1CCCCCC1
STL046154
Synonyms: 1-(3,5-dichlorophenyl)-3-[(4-hydroxy-5-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)CC(C1=O)Sc1nc(O)c(c(=O)[nH]1)C
STL046158
Synonyms: 1-(4-chlorophenyl)-3-[(2Z)-5-(1-phenoxyethyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: Clc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)C(Oc1ccccc1)C
STL046159
Synonyms: 4-phenyl-2,3-dihydro-1,5-benzothiazepin-5-ium-2-carboxylate
Smiles: [O-]C(=O)C1Sc2ccccc2[NH+]=C(C1)c1ccccc1
STL046168
Synonyms: 1-(3,4-dimethylphenyl)-3-[(2E)-5-(phenoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: O=C(/N=c/1\[nH]nc(s1)COc1ccccc1)Nc1ccc(c(c1)C)C
STL046172
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCCn1c[nH+]cc1)/[O-]
STL046173
Synonyms: 3-{[(2,4-dimethylphenyl)amino]methyl}-7-methylquinolin-2(1H)-one
Smiles: Cc1ccc(c(c1)C)NCc1cc2ccc(cc2[nH]c1=O)C
STL046178
Synonyms: (3Z)-3-{2-[(3-methoxyphenyl)amino]-4-oxo-1,3-thiazol-5(4H)-ylidene}-1-methyl-1,3-dihydro-2H-indol-2-one
Smiles: COc1cccc(c1)NC1=NC(=O)/C(=C/2\c3ccccc3N(C2=O)C)/S1
STL046180
Synonyms: (2Z)-6-chloro-2-{(2E)-[(5-chlorofuran-2-yl)methylidene]hydrazinylidene}-4-phenyl-2,3-dihydroquinazoline
Smiles: Clc1ccc(o1)/C=N/N=c/1\nc2ccc(cc2c([nH]1)c1ccccc1)Cl
STL046181
Synonyms: (3E)-3-[(2Z)-[1,2,4]triazolo[3,4-a]phthalazin-6(5H)-ylidenehydrazinylidene]-1,3-dihydro-2H-indol-2-one
Smiles: O=C1Nc2c(/C/1=N\N=c\1/[nH]n3cnnc3c3c1cccc3)cccc2
STL046183
Synonyms: 4-[(E)-(2-{[4-(4-methylbenzyl)piperazin-1-ium-1-yl]acetyl}hydrazinylidene)methyl]benzoate
Smiles: O=C(C[NH+]1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1ccc(cc1)C(=O)[O-]
STL046207
Synonyms: (2Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-4-({[(E)-(4-methoxyphenyl)methylidene]amino}oxy)but-2-enenitrile
Smiles: COc1ccc(cc1)/C=N/OC/C(=C(/c1nc2c([nH]1)cccc2)\C#N)/O
STL046210
Synonyms: 4-amino-6-propyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-thione
Smiles: CCCC1OCc2c(C1)c1c(N)nc(=S)[nH]c1s2
STL046215
Synonyms: 1-[(2Z)-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-fluorophenyl)urea
Smiles: CCOCCc1n[nH]/c(=N/C(=O)Nc2ccc(cc2)F)/s1
STL046230
Synonyms: N-[2-hydroxy-3-(2-hydroxy-4,4-dimethyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)propyl]-4-methyl-N-(2-nitrophenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1[N+](=O)[O-])CN1C(=NC(C1=O)(C)C)O
STL046232
Synonyms: 11-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(NC2c2c(C)nn(c2Cl)c2ccccc2)cccc3)CC(C1)(C)C
STL046239
Synonyms: (E)-(3-methoxyphenyl)[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1OC)Cc1ccc[nH+]c1)/[O-]
STL046246
Synonyms: 4-[1-(4-hydroxybenzyl)-1H-3,1-benzimidazol-3-ium-2-yl]phenolate
Smiles: [O-]c1ccc(cc1)c1[nH+]c2c(n1Cc1ccc(cc1)O)cccc2
STL046255
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
STL046261
Synonyms: N-{2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl}benzamide
Smiles: O=C(c1ccccc1)NC(c1n[nH]c(=O)c2c1cccc2)C(=O)N/N=C/c1ccccn1
STL046268
Synonyms: N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: COc1cccc(c1)N(C(=O)C)Cc1cc2ccc(cc2[nH]c1=O)C
STL046274
Synonyms: (E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCC[NH+](C)C)/[O-])C
STL046281
Synonyms: 2-{(4Z)-4-[(3,5-dichlorophenyl)imino]-3,4-dihydroquinazolin-2-yl}phenol
Smiles: Clc1cc(Cl)cc(c1)/N=c/1\[nH]c(nc2c1cccc2)c1ccccc1O
STL046294
Synonyms: 1-[4-fluoro-3-(pyrrolidin-1-yl)phenyl]-1H-tetrazole-5-thiol
Smiles: Fc1ccc(cc1N1CCCC1)n1nnnc1S
STL046308
Synonyms: [(5Z)-4-oxo-5-(pyridinium-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl](phenyl)acetate
Smiles: S=C1S/C(=C\c2ccc[nH+]c2)/C(=O)N1C(c1ccccc1)C(=O)[O-]
STL046312
Synonyms: N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]tetrahydrofuran-2-carboxamide
Smiles: CCOc1ccc(cc1)N(C(=O)C1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O
STL046321
Synonyms: 6-{[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]carbonyl}cyclohex-3-ene-1-carboxylate
Smiles: [O-]C(=O)C1CC=CCC1C(=O)N1CC[NH+](CC1)c1nc2ccccc2c(n1)c1ccccc1
STL046325
Synonyms: (5E)-5-[({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Smiles: OCCN(c1ccc(cc1)N/C=C/1\C(=NC(=NC1=O)S)O)CC
STL046326
Synonyms: 4-chloro-2-{[(1-propyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCCn1c(NCc2cc(Cl)ccc2[O-])[nH+]c2c1cccc2
STL046339
Synonyms: 4-methoxy-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-phenylbenzamide
Smiles: COc1ccc(cc1)C(=O)N(c1ccccc1)Cc1cc2cccc(c2[nH]c1=O)C
STL046341
Synonyms: 2,2'-(dihydropyrimidinediium-1,3(2H,4H)-diyldimethanediyl)diphenolate
Smiles: [O-]c1ccccc1C[NH+]1CCC[NH+](C1)Cc1ccccc1[O-]
STL046344
Synonyms: (E)-[4-(dimethylsulfamoyl)phenyl]{2-(5-methylfuran-2-yl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Cc1ccc(o1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)S(=O)(=O)N(C)C)/[O-]
STL046348
Synonyms: 2-[(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Smiles: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CSc1nc(C)c(c(=O)[nH]1)C
STL046358
Synonyms: 4-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzenesulfonamide
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)c1ccc(cc1)S(=O)(=O)N)/c1ccccc1
STL046362
Synonyms: 3-(ethoxycarbonyl)-1,2-dimethyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-1H-indol-5-olate
Smiles: CCOC(=O)c1c(C)n(c2c1c(C[NH+]1CCN(CC1)C)c([O-])cc2)C
STL046366
Synonyms: 4-(5-{(E)-[(4-hydroxy-2-oxo-1,2-dihydropyrimidin-5-yl)imino]methyl}furan-2-yl)benzoicacid
Smiles: Oc1nc(=O)[nH]cc1/N=C/c1ccc(o1)c1ccc(cc1)C(=O)O
STL046367
Synonyms: (E)-{1-(3-carboxypropyl)-2-[4-(dimethylammonio)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccc(cc1)[NH+](C)C
STL046377
Synonyms: 4-{[(2-fluorophenyl)carbonyl]oxy}-1-methylpiperidinium
Smiles: C[NH+]1CCC(CC1)OC(=O)c1ccccc1F
STL046387
Synonyms: (5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O)S
STL046391
Synonyms: (E)-(4-chlorophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCCn1cc[nH+]c1)/[O-]
STL046397
Synonyms: (5Z)-3-(4-chlorophenyl)-6-hydroxy-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C/NCCN2CCOCC2)/C1=O)O
STL046399
Synonyms: 1-{3-[4-(diethylamino)phenyl]-11-(furan-2-yl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}ethanone
Smiles: CCN(c1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N(C2c2ccco2)C(=O)C)C1)O)CC
STL046400
Synonyms: 4-[({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: O=C(Nc1ccc(cc1)C(=O)[O-])CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)Cl
STL046403
Synonyms: 8,8'-(ethane-1,2-diyldisulfanediyl)bis{7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one}
Smiles: OC(Cn1c(SCCSc2nc3c(n2CC(COc2ccc(cc2)Cl)O)c(O)nc(=O)n3C)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)Cl
STL046413
Synonyms: (E)-1-benzofuran-2-yl{1-[3-(diethylammonio)propyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCCN1C(c2ccccc2F)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)CC
STL046421
Synonyms: N-[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]-4-(4-methoxyphenyl)piperazine-1-carboximidamide
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=N)/N=c\1/nc(C)cc([nH]1)C
STL046445
Synonyms: (5E)-1-[2-(4-fluorophenyl)ethyl]-2-hydroxy-5-[(5-methylthiophen-2-yl)methylidene]pyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)CCN1C(=NC(=O)/C(=C\c2ccc(s2)C)/C1=O)O
STL046448
Synonyms: 5-(phenoxymethyl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1cccc(c1)Oc1ccccc1)COc1ccccc1
STL046452
Synonyms: (6E)-N~2~-(4-methoxyphenyl)-6-[(4-methoxyphenyl)imino]-N~4~-[2-(morpholin-4-yl)ethyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine
Smiles: COc1ccc(cc1)Nc1nc(NCCN2CCOCC2)n/c(=N/c2ccc(cc2)OC)/[nH]1
STL046458
Synonyms: 1-{[(1-propyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}naphthalen-2-olate
Smiles: CCCn1c(NCc2c([O-])ccc3c2cccc3)[nH+]c2c1cccc2
STL046462
Synonyms: (5Z)-5-({[2-(diethylamino)ethyl]amino}methylidene)-6-hydroxy-3-(2,4,6-trimethylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CCN(CCN/C=C\1/C(=NC(=O)N(C1=O)c1c(C)cc(cc1C)C)O)CC
STL046489
Synonyms: (E)-{2-(3-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: Clc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)nc2n1cccc2C)/[O-]
STL046497
Synonyms: N-[1-(2,3-dimethoxybenzyl)-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]furan-2-carboxamide
Smiles: COc1c(cccc1OC)CN1C(=NC(C1=O)(NC(=O)c1ccco1)C(F)(F)F)O
STL046504
Synonyms: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-2-oxo-3,7-dihydro-2H-purin-6-olate
Smiles: OCC[NH+]1CCN(CC1)c1nc2c(n1CC(COc1c(Br)cc(cc1Br)Br)O)c([O-])nc(=O)n2C
STL046516
Synonyms: (5E)-1-(4-bromophenyl)-5-(2,4-dihydroxybenzylidene)-2-hydroxypyrimidine-4,6(1H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(cc2O)O)/C1=O)O
STL046518
Synonyms: ethylN-({5-[(4E)-4-{[4-(2-amino-2-oxoethoxy)phenyl]imino}-3,4-dihydrophthalazin-1-yl]-2-methylphenyl}sulfonyl)glycinate
Smiles: CCOC(=O)CNS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N/c2ccc(cc2)OCC(=O)N)/c2c1cccc2
STL046521
Synonyms: 1-{3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propyl}-1H-benzimidazol-2-olate
Smiles: [O-]c1nc2c(n1CCC[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1)cccc2
STL046535
Synonyms: 2-(4-{[(1E)-4-{3-[(2-hydroxyethyl)sulfamoyl]-4-methylphenyl}phthalazin-1(2H)-ylidene]amino}phenoxy)acetamide
Smiles: OCCNS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N/c2ccc(cc2)OCC(=O)N)/c2c1cccc2
STL046538
Synonyms: 4-[(E)-{2-[(1H-3,1-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2-ethoxyphenolate
Smiles: CCOc1cc(/C=N/NC(=O)CSc2[nH]c3c([nH+]2)cccc3)ccc1[O-]
STL046543
Synonyms: 4-{[(E)-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]amino}benzoicacid
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C\Nc2ccc(cc2)C(=O)O)/C1=O)O
STL046550
Synonyms: (E)-[4,5-dioxo-2-phenyl-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1)c1nccc[nH+]1)/c1ccccc1
STL046551
Synonyms: 2-[(dimethylammonio)methyl]-4-methyl-6-oxo-6H-benzo[c]chromen-3-olate
Smiles: C[NH+](Cc1cc2c(c(c1[O-])C)oc(=O)c1c2cccc1)C
STL046558
Synonyms: (4E)-4-[(2E)-(pyridin-2-ylmethylidene)hydrazinylidene]-3,4-dihydropyrimidin-2(1H)-one
Smiles: O=c1[nH]cc/c(=N\N=C\c2ccccn2)/[nH]1
STL046561
Synonyms: N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]furan-2-carboxamide
Smiles: Cc1ccc(c(c1)N(C(=O)c1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O)C
STL046562
Synonyms: 1-[(2E)-4-methyl-6-(trifluoromethyl)pyrimidin-2(1H)-ylidene]-3-(4-phenoxyphenyl)guanidine
Smiles: N=C(/N=c\1/nc(C)cc([nH]1)C(F)(F)F)Nc1ccc(cc1)Oc1ccccc1
STL046589
Synonyms: 4-methyl-6-oxo-2-(pyrrolidinium-1-ylmethyl)-6H-benzo[c]chromen-3-olate
Smiles: [O-]c1c(C[NH+]2CCCC2)cc2c(c1C)oc(=O)c1c2cccc1
STL046602
Synonyms: 4-{[(E)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]amino}benzoicacid
Smiles: SC1=NC(=O)/C(=C/Nc2ccc(cc2)C(=O)O)/C(=N1)O
STL046608
Synonyms: (E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccncc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccccc1
STL046626
Synonyms: (5Z)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/NCCCn2cncc2)/C(=O)N1CCc1ccccc1
STL046628
Synonyms: (5Z)-3-(2-chlorophenyl)-6-hydroxy-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/NCCN2CCOCC2)/C(=O)N1c1ccccc1Cl
STL046629
Synonyms: 2-methoxy-4-[(E)-(2-{[(1-methyl-1H-3,1-benzimidazol-3-ium-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2[nH+]c3c(n2C)cccc3)ccc1[O-]
STL046631
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-4-methylpyrimidin-2-amine
Smiles: Cc1ccnc(n1)/N=c\1/sc2c([nH]1)cccc2
STL046651
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OC)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
STL046652
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-6-hydroxy-3-(2-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccccc1N1C(=O)N=C(/C(=C/c2nc3c([nH]2)cccc3)/C1=O)O
STL046660
Synonyms: 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoicacid
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCC(=O)O
STL046663
Synonyms: (E)-[4,5-dioxo-2-phenyl-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)c1nccc[nH+]1)/[O-]
STL046673
Synonyms: 6-methyl-4-phenyl-3-(piperidin-1-yl)-3,4-dihydroquinolin-2-ol
Smiles: Cc1ccc2c(c1)C(c1ccccc1)C(C(=N2)O)N1CCCCC1
STL046685
Synonyms: 4-(methylsulfanyl)-2-[(5Z)-4-oxo-5-(pyridinium-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Smiles: CSCCC(N1C(=S)S/C(=C\c2cc[nH+]cc2)/C1=O)C(=O)[O-]
STL046704
Synonyms: ethylN-{[5-(4-hydroxyphthalazin-1-yl)-2-methylphenyl]sulfonyl}glycinate
Smiles: CCOC(=O)CNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)O
STL046709
Synonyms: 2-{[3-cyano-6-hydroxy-4-(2-methoxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)N=C(CC1c1ccccc1OC)O
STL046713
Synonyms: (E)-{2-(4-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)Cl)/C(=C(/c2cnn(c2C)c2ccccc2)\[O-])/C(=O)C1=O)C
STL046718
Synonyms: 4-(benzo[cd]indolium-2-ylamino)benzoate
Smiles: [O-]C(=O)c1ccc(cc1)NC1=[NH+]c2c3c1cccc3ccc2
STL046720
Synonyms: 5-(4-fluorophenyl)-7-(furan-2-yl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(c2ccco2)n2c(=N1)[nH]cn2
STL046747
Synonyms: (E)-[2-(2,5-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-fluorophenyl)methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)OC
STL046752
Synonyms: (2E,5Z)-2-[(4-hydroxyphenyl)imino]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: C/C(=C\c1ccccc1)/C=C/1\S/C(=N/c2ccc(cc2)O)/N=C1O
STL046764
Synonyms: 6-methyl-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-ol
Smiles: Cc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)CN1CCOCC1
STL046766
Synonyms: 3-[(E)-2-ethoxy-2-hydroxyethenyl]-2H-1,4-benzoxazin-2-one
Smiles: CCO/C(=C/c1nc2ccccc2oc1=O)/O
STL046771
Synonyms: 2-tert-butyl-1,2,4-triazaspiro[4.5]dec-3-ene-3-thiol
Smiles: CC(N1NC2(N=C1S)CCCCC2)(C)C
STL046778
Synonyms: 1-heptyl-2-hydroxy-4-oxo-N'-[(E)-pyridin-4-ylmethylidene]-1,4-dihydroquinoline-3-carbohydrazide
Smiles: CCCCCCCn1c(O)c(C(=O)N/N=C/c2ccncc2)c(=O)c2c1cccc2
STL046780
Synonyms: 2-fluoro-N-[3-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide
Smiles: O=C(c1ccccc1F)Nc1cccc(c1)c1nnc(n1C)S
STL046782
Synonyms: (5E)-3-benzyl-5-({[4-(diethylamino)phenyl]amino}methylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCN(c1ccc(cc1)N/C=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)CC
STL046788
Synonyms: 3-[(Z)-2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-hydroxyethenyl]-7-nitro-2H-1,4-benzoxazin-2-one
Smiles: Cc1nc(c(o1)/C(=C/c1nc2ccc(cc2oc1=O)[N+](=O)[O-])/O)C
STL046790
Synonyms: 2,4-dihydroxy-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: COc1ccccc1NC(=O)c1c(O)nc2c(c1O)CCCC2
STL046798
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene][2-methyl-4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/[O-])C
STL046804
Synonyms: 6-hydroxy-3-methyl-8-[(2-methylprop-2-en-1-yl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(=C)CSc1nc2c(n1CCCc1ccccc1)c(O)nc(=O)n2C
STL046818
Synonyms: N-{2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl}benzamide
Smiles: O=C(c1ccccc1)NC(c1n[nH]c(=O)c2c1cccc2)C(=O)N/N=C/c1cccnc1
STL046823
Synonyms: N'-(4,6-dihydroxy-5-nitropyrimidin-2-yl)pyridine-2-carbohydrazide
Smiles: O=C(c1ccccn1)NNc1nc(O)c(c(n1)O)[N+](=O)[O-]
STL046833
Synonyms: 5-benzyl-6-hydroxy-2-[(2-oxo-2-phenylethyl)sulfanyl]-1-phenylpyrimidin-4(1H)-one
Smiles: O=C(c1ccccc1)CSc1nc(=O)c(c(n1c1ccccc1)O)Cc1ccccc1
STL046840
Synonyms: (E)-{2-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: Clc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-]
STL046847
Synonyms: 7-methyl-3-{[(3-methylphenyl)amino]methyl}quinolin-2(1H)-one
Smiles: Cc1cccc(c1)NCc1cc2ccc(cc2[nH]c1=O)C
STL046848
Synonyms: 6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4-ol
Smiles: Sc1nc(O)c2c(n1)sc(c2)C
STL046854
Synonyms: 7-hydroxy-4-(4-methoxyphenyl)-1-(pentan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OC)C
STL046865
Synonyms: (E)-furan-2-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
STL046866
Synonyms: ethyl4-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-4-yl]ethylidene}amino)benzoate
Smiles: CCCC1=NN(C(=O)C1/C(=N/c1ccc(cc1)C(=O)OCC)/C)c1nc2c(s1)cccc2
STL046869
Synonyms: (4E)-3-nitro-4-(phenylimino)-4H-chromen-2-ol
Smiles: [O-][N+](=O)c1c(O)oc2c(/c/1=N\c1ccccc1)cccc2
STL046884
Synonyms: methyl(2Z)-[(2Z)-2-[(2E)-benzylidenehydrazinylidene]-4-hydroxy-1,3-thiazol-5(2H)-ylidene]ethanoate
Smiles: COC(=O)/C=C/1\S/C(=N\N=C\c2ccccc2)/N=C1O
STL046885
Synonyms: 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-ylpropanoate
Smiles: CCC(=O)OC1N=C(c2c(N=C1O)ccc(c2)Br)c1ccccc1Cl
STL046891
Synonyms: ethyl(2Z)-2-[(3-chlorophenyl)imino]-4-hydroxy-2,5-dihydrofuran-3-carboxylate
Smiles: CCOC(=O)C1=C(O)CO/C/1=N\c1cccc(c1)Cl
STL046894
Synonyms: 3-(1-methyl-1H-benzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-2H-chromen-7-olate
Smiles: CN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(=O)c(c2)c1nc2c(n1C)cccc2
STL046899
Synonyms: 5-bromo-2-hydroxy-6'-methyl-2'-phenyl-4H-1,4'-bipyrimidin-4-one
Smiles: Cc1nc(nc(c1)n1cc(Br)c(=O)nc1O)c1ccccc1
STL046902
Synonyms: 5-butyl-2-(4-chlorophenyl)-5-methyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Smiles: CCCCC1(C)NN(C(=N1)S)c1ccc(cc1)Cl
STL046907
Synonyms: N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: CCc1n[nH]/c(=N\C(=O)c2c(O)c3cccc4c3n(c2=O)CC4)/s1
STL046924
Synonyms: 6-hydroxy-3-methyl-8-(2-methylpiperidin-1-yl)-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(=C)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1C
STL046933
Synonyms: 2-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)Cc1c(C)[nH]nc1O)OC
STL046942
Synonyms: 4-hydroxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2CCc3c2c(c1=O)ccc3
STL046944
Synonyms: 1-hexyl-2-hydroxy-4-oxo-N-(pyrazin-2-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCCCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2c1cccc2
STL046946
Synonyms: N'-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: C=CCN1C(=NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O)S
STL046951
Synonyms: N-{2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl}benzamide
Smiles: O=C(c1ccccc1)NC(c1n[nH]c(=O)c2c1cccc2)C(=O)N/N=C/c1ccncc1
STL046958
Synonyms: 7-benzyl-2-(dimethylamino)-7H-purin-6-ol
Smiles: CN(c1nc(O)c2c(n1)ncn2Cc1ccccc1)C
STL046977
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-(ethoxycarbonyl)-6-ethyl-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-oxo-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])c(CC)cc2c1oc(C(=O)OCC)c(c2=O)c1nc2c(s1)cccc2
STL046988
Synonyms: 6-chloro-3-[4-(3-methoxyphenyl)piperazin-1-yl]-4-phenylquinolin-2-ol
Smiles: COc1cccc(c1)N1CCN(CC1)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl
STL047009
Synonyms: (E)-{2-(4-methylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: Cc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-]
STL047012
Synonyms: 2-hydroxy-4-oxo-1-(prop-2-en-1-yl)-N'-[(E)-pyridin-2-ylmethylidene]-1,4-dihydroquinoline-3-carbohydrazide
Smiles: C=CCn1c(O)c(C(=O)N/N=C/c2ccccn2)c(=O)c2c1cccc2
STL047018
Synonyms: methyl{[3-cyano-4-(2,3-dichlorophenyl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1cccc(c1Cl)Cl
STL047025
Synonyms: ethyl[(5-{[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nnc(n1C)CSc1nc(O)c2c(n1)sc(c2C)C
STL047028
Synonyms: 1-(2-fluorophenyl)-3-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: CCCc1n[nH]/c(=N/C(=O)Nc2ccccc2F)/s1
STL047033
Synonyms: (3Z)-1-benzyl-3-[(4-hydroxyquinazolin-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one
Smiles: O=C1/C(=C\c2nc(O)c3c(n2)cccc3)/c2c(N1Cc1ccccc1)cccc2
STL047054
Synonyms: 1-(3,4-dimethylphenyl)-3-[(2Z)-5-(3-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: COc1cccc(c1)c1n[nH]/c(=N/C(=O)Nc2ccc(c(c2)C)C)/s1
STL047067
Synonyms: N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-methoxyphenyl)carbamimidoyl]-1-phenylmethanesulfonamide
Smiles: COc1ccccc1/N=C(/NS(=O)(=O)Cc1ccccc1)\Nc1nc(C)cc(n1)C
STL047073
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCCn1c[nH+]cc1)/[O-]
STL047085
Synonyms: (E)-[2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
STL047087
Synonyms: N-[(Z)-[(2Z)-1,3-benzothiazol-2(3H)-ylideneamino]{[(4-fluorophenyl)carbonyl]amino}methylidene]-3-fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)N/C(=N/C(=O)c1cccc(c1)F)/N=c/1\sc2c([nH]1)cccc2
STL047095
Synonyms: N-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-hydroxy-1-octyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCCCCn1c(=O)c(C(=O)/N=c/2\[nH]c3c([nH]2)cccc3)c(c2c1cccc2)O
STL047099
Synonyms: methyl3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
Smiles: COC(=O)CCc1c(C)nc(nc1O)S
STL047106
Synonyms: N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-phenylpyridine-4-carboxamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1ccncc1)c1ccccc1
STL047112
Synonyms: 5-{(4E)-4-[(4-hydroxyphenyl)imino]-3,4-dihydrophthalazin-1-yl}-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: Oc1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCC1CCCO1)C
STL047122
Synonyms: ethyl(2Z)-4-(phenylamino)-2-(phenylimino)-1,2-dihydroquinoline-3-carboxylate
Smiles: CCOC(=O)c1/c(=N/c2ccccc2)/[nH]c2c(c1Nc1ccccc1)cccc2
STL047126
Synonyms: (2Z)-2-{[(4-fluorophenyl)carbonyl]imino}-5-methyl-2,3-dihydro-1,3-thiazol-4-yl4-fluorobenzoate
Smiles: Fc1ccc(cc1)C(=O)Oc1[nH]/c(=N/C(=O)c2ccc(cc2)F)/sc1C
STL047131
Synonyms: 5-phenyl-4,6,7,8-tetrahydrocyclopenta[d]pyrazolo[3,4-b]pyridin-1-amine
Smiles: Nc1nnc2c1c1CCCc1c([nH]2)c1ccccc1
STL047139
Synonyms: (E)-(3-methoxyphenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[O-]
STL047140
Synonyms: (5Z)-5-(2,3-dimethoxybenzylidene)-1-(2-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1cccc(c1OC)/C=C\1/C(=O)N=C(N(C1=O)c1ccccc1F)S
STL047141
Synonyms: 2-{4-methyl-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazol-2-ium-3-yl}phenolate
Smiles: Cn1c(/C=C/c2ccccc2)n[nH+]c1c1ccccc1[O-]
STL047153
Synonyms: N-(4-methoxyphenyl)-3-nitro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1ccc(cc1)N(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1cc2ccccc2[nH]c1=O
STL047173
Synonyms: 2-(2,4-dimethylphenyl)-1-[(2E)-6-(methoxymethyl)-4-oxo-3,4-dihydropyrimidin-2(1H)-ylidene]guanidine
Smiles: COCc1cc(=O)[nH]/c(=N/C(=N/c2ccc(cc2C)C)/N)/[nH]1
STL047175
Synonyms: N-[(2E)-5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: Cc1ccc(c(c1)C)OCc1n[nH]/c(=N\C(=O)c2ccco2)/s1
STL047176
Synonyms: (E)-(2,4-dimethyl-1,3-thiazol-5-yl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Smiles: Cc1nc(c(s1)/C(=C\1/C(c2cccnc2)N(C(=O)C1=O)CC[NH+]1CCOCC1)/[O-])C
STL047181
Synonyms: phthalazine-1,4-diol
Smiles: Oc1nnc(c2c1cccc2)O
STL047193
Synonyms: 5-amino-7-(4-chlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Smiles: N#CC1=C(N)N=c2n(C1c1ccc(cc1)Cl)nc[nH]2
STL047199
Synonyms: (E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: Clc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
STL047200
Synonyms: 5-(1,3-benzodioxol-5-ylmethyl)-6-hydroxy-2-oxo-2,3-dihydropyrimidin-4-olate
Smiles: Oc1nc(=O)[nH]c(c1Cc1ccc2c(c1)OCO2)[O-]
STL047204
Synonyms: 6-chloro-3-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-2H-1,4-benzoxazin-2-one
Smiles: Clc1ccc(cc1)/C(=C/c1nc2cc(Cl)ccc2oc1=O)/O
STL047210
Synonyms: (5Z)-1-phenyl-2-sulfanyl-5-(2,3,4-trimethoxybenzylidene)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(c(c1OC)OC)/C=C\1/C(=O)N=C(N(C1=O)c1ccccc1)S
STL047213
Synonyms: 3-{[6-hydroxy-3-methyl-2-oxo-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-8-yl]sulfanyl}propanoicacid
Smiles: C=CCn1c(SCCC(=O)O)nc2c1c(O)nc(=O)n2C
STL047217
Synonyms: 5,5'-bis(4-chlorophenyl)-2,2'-diphenyltetrahydro-2H,2'H-3,3'-bipyrrolo[3,4-d][1,2]oxazole-4,4',6,6'(3H,3'H,5H,5'H)-tetrone
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1)c1ccccc1
STL047229
Synonyms: ethyl6-chloro-1-ethyl-2-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
Smiles: CCn1c(O)c(C(=O)OCC)c(=O)c2c1ccc(c2)Cl
STL047250
Synonyms: 5-cyclohexyl-4-{[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cc(ccc1O)/C=N/n1c(=S)[nH]nc1C1CCCCC1
STL047259
Synonyms: 7-(4-fluorophenyl)-5-(4-methylphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1ccc(cc1)F
STL047261
Synonyms: 3,4,5-trimethoxy-2-[({[(1-methyl-1H-tetrazol-4-ium-5-yl)sulfanyl]acetyl}amino)methyl]benzoate
Smiles: COc1c(CNC(=O)CSc2[nH+]nnn2C)c(cc(c1OC)OC)C(=O)[O-]
STL047267
Synonyms: 4-(2-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolinium-6-carboxylate
Smiles: ClC1C(Sc2ccccc2[N+](=O)[O-])CC2C1c1cccc(c1[NH2+]C2c1ccccc1Br)C(=O)[O-]
STL047284
Synonyms: 2-hydroxy-1-methyl-4-oxo-N'-[(E)-pyridin-3-ylmethylidene]-1,4-dihydroquinoline-3-carbohydrazide
Smiles: O=C(c1c(=O)c2ccccc2n(c1O)C)N/N=C/c1cccnc1
STL047305
Synonyms: (E)-{2-(3-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: Clc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-]
STL047308
Synonyms: N-[2-(2-{(Z)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)c2ccc(cc2)C)S)[nH]c2c1cccc2
STL047310
Synonyms: 5-cyclohexyl-4-{[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2C2CCCCC2)cc(c1O)OC
STL047311
Synonyms: 5-[(4Z)-4-(1,3-benzodioxol-5-ylimino)-3,4-dihydrophthalazin-1-yl]-N,2-dimethylbenzenesulfonamide
Smiles: CNS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N\c2ccc3c(c2)OCO3)/c2c1cccc2
STL047314
Synonyms: (2Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-4-(4-methoxyphenoxy)but-2-enenitrile
Smiles: COc1ccc(cc1)OC/C(=C(/c1nc2c([nH]1)cccc2)\C#N)/O
STL047315
Synonyms: 1-(4-ethoxyphenyl)-3-[(5-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
Smiles: CCOc1ccc(cc1)N1C(=O)CC(C1=O)Sc1nc(O)c(c(=O)[nH]1)CC
STL047319
Synonyms: [(2Z)-2-{(2E)-[4-(dimethylammonio)benzylidene]hydrazinylidene}-4-hydroxy-2,5-dihydro-1,3-thiazol-5-yl]acetate
Smiles: [O-]C(=O)CC1S/C(=N\N=C\c2ccc(cc2)[NH+](C)C)/N=C1O
STL047335
Synonyms: 2-methoxy-6-{(E)-[(2Z)-[1,2,4]triazolo[3,4-a]phthalazin-6(5H)-ylidenehydrazinylidene]methyl}phenol
Smiles: COc1cccc(c1O)/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2
STL047344
Synonyms: (5Z)-3-hexyl-6-hydroxy-5-{[(4-methylpiperazin-1-yl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: CCCCCCN1C(=O)N=C(/C(=C/NN2CCN(CC2)C)/C1=O)O
STL047349
Synonyms: 1-[11-(2,4-dimethoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-methylpropan-1-one
Smiles: COc1ccc(c(c1)OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C(C)C)cccc2)(C)C
STL047368
Synonyms: (5E)-4-hydroxy-5-[2-(morpholin-4-yl)-2-oxoethylidene]-1,3-thiazol-2(5H)-one
Smiles: O=C(N1CCOCC1)/C=C\1/SC(=O)N=C1O
STL047370
Synonyms: (2Z)-4-(4-chlorophenyl)-2-[(2Z)-(2,4-dimethoxybenzylidene)hydrazinylidene]-6-(trifluoromethyl)-1,2-dihydropyrimidine
Smiles: COc1cc(OC)ccc1/C=N\N=c\1/nc(cc([nH]1)C(F)(F)F)c1ccc(cc1)Cl
STL047378
Synonyms: 2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
Smiles: NNC(=O)c1c(O)nc2c(c1O)CCCC2
STL047391
Synonyms: 6-hydroxy-7-(2-methoxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: COCCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)C
STL047392
Synonyms: 2-{[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]methyl}quinazolin-4-ol
Smiles: CCCc1nc(SCc2nc(O)c3c(n2)cccc3)nc(c1)O
STL047395
Synonyms: 2-methoxy-5-[(E)-{2-[(1-methyl-1H-indolium-3-yl)carbonyl]hydrazinylidene}methyl]phenolate
Smiles: COc1ccc(cc1[O-])/C=N/NC(=O)C1=C[NH+](c2c1cccc2)C
STL047396
Synonyms: (5E)-6-hydroxy-3-(2-methoxyphenyl)-5-[(piperidin-1-ylamino)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccccc1N1C(=O)N=C(/C(=C\NN2CCCCC2)/C1=O)O
STL047413
Synonyms: 7-butyl-6-hydroxy-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Smiles: CCCCn1c(SCC(=O)C)nc2c1c(O)nc(=O)n2C
STL047419
Synonyms: (5E)-1-(4-methylphenyl)-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCCN2CCOCC2)/C1=O)S
STL047436
Synonyms: 2,3-dimethoxy-6-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Smiles: COc1c(OC)ccc(c1C(=O)[O-])/C=N/NC(=O)CSc1[nH+]nc(n1c1ccccc1)c1cc(OC)c(c(c1)OC)OC
STL047441
Synonyms: (3-{(E)-[2-(1,3-benzothiazol-3-ium-2-yl)hydrazinylidene]methyl}phenoxy)acetate
Smiles: [O-]C(=O)COc1cccc(c1)/C=N/Nc1sc2c([nH+]1)cccc2
STL047442
Synonyms: dimethyl5-[({(2E)-4-hydroxy-2-[(4-methylphenyl)imino]-5,6-dihydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=O)C2CC(=N/C(=N\c3ccc(cc3)C)/S2)O)cc(c1)C(=O)OC
STL047445
Synonyms: (E)-{2-(3-chlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)CCCn1c[nH+]cc1)/[O-]
STL047451
Synonyms: 2-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]-4-chlorophenolate
Smiles: Clc1ccc(c(c1)CNc1[nH]c2c([nH+]1)cccc2)[O-]
STL047452
Synonyms: 2-hydroxy-4-oxo-1-propyl-N-(pyrazin-2-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2c1cccc2
STL047458
Synonyms: N-[(4E)-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]-2,4-dimethylaniline
Smiles: Cc1ccc(c(c1)C)/N=c\1/nc[nH]c2c1cn[nH]2
STL047464
Synonyms: (5E)-5-[(3-methylphenyl)imino]-5H-anthra[1,9-cd][1,2]oxazol-6-ol
Smiles: Cc1cccc(c1)/N=C/1\C=Cc2c3c1c(O)c1ccccc1c3on2
STL047465
Synonyms: N-[1-benzyl-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide
Smiles: O=C1Nc2c(C1(NC(=O)c1ccco1)C(F)(F)F)c(O)nc(=O)n2Cc1ccccc1
STL047480
Synonyms: (6-bromo-2-methyl-4-phenylquinazolin-3-ium-3(4H)-yl)acetate
Smiles: [O-]C(=O)C[NH+]1C(=Nc2c(C1c1ccccc1)cc(cc2)Br)C
STL047484
Synonyms: (E)-1-benzofuran-2-yl{2-(4-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)Cl)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)C
STL047486
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccc(cc1)OC)CC
STL047494
Synonyms: N-[2-hydroxy-5-oxo-1-(3-phenylpropyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2,3,4-trimethoxybenzamide
Smiles: COc1c(ccc(c1OC)OC)C(=O)NC1(N=C(N(C1=O)CCCc1ccccc1)O)C(F)(F)F
STL047511
Synonyms: N-[5-(4-chlorophenyl)-7-(2-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
Smiles: COc1ccccc1C1C=C(N=c2n1nc([nH]2)NS(=O)(=O)C)c1ccc(cc1)Cl
STL047523
Synonyms:
Smiles: CCOC(=O)c1c[nH]c2c(c1=O)ccc1c2nsn1
STL047545
Synonyms: N-(2,4-dimethylphenyl)-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: Cc1ccc(c(c1)C)NC(=O)c1c(O)nc2c(c1O)CCCC2
STL047547
Synonyms: (2Z)-2-[(2E)-(2,5-dimethoxybenzylidene)hydrazinylidene]-4-methyl-1,2-dihydroquinoline
Smiles: COc1ccc(cc1/C=N/N=c\1/cc(C)c2c([nH]1)cccc2)OC
STL047549
Synonyms: 2,6-dichloro-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-9-ium-2(3H)-ylidene)methyl]phenolate
Smiles: [O-]c1c(Cl)cc(cc1Cl)/C=c/1\sc2n(c1=O)c1c([nH+]2)cccc1
STL047551
Synonyms: 6-hydroxy-3-methyl-8-(4-phenylpiperazin-1-yl)-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Smiles: O=c1nc(O)c2c(n1C)nc(n2CCSc1nnnn1c1ccccc1)N1CCN(CC1)c1ccccc1
STL047552
Synonyms: 7-methyl-5-phenyl-3H-1,4-benzodiazepine-2,3-diol
Smiles: Cc1ccc2c(c1)C(=NC(C(=N2)O)O)c1ccccc1
STL047553
Synonyms: N-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]morpholine-4-carbimidothioicacid
Smiles: O=C(/N=C(/N1CCOCC1)\S)/C=C/c1cccs1
STL047556
Synonyms: 4-[(2E)-pyrrolidin-2-ylideneammonio]butanoate
Smiles: [O-]C(=O)CCC/[NH+]=C/1\CCCN1
STL047559
Synonyms: (5Z)-6-hydroxy-3-methyl-5-(3-phenoxybenzylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/c2cccc(c2)Oc2ccccc2)/C(=O)N1C
STL047595
Synonyms: N-[(2Z)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]pentanamide
Smiles: CCCCC(=O)/N=c/1\ncc2c([nH]1)CC(CC2=O)(C)C
STL047602
Synonyms: 7-hydroxy-5-oxo-N-[(2E)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2(3H)-ylidene]-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
Smiles: O=C(c1c(O)c2cccc3c2n(c1=O)CCC3)/N=c\1/scc([nH]1)C12CC3CC(C2)CC(C1)C3
STL047609
Synonyms: 5-ethyl-2-phenyl-5-(propan-2-yl)-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Smiles: CCC1(N=C(N(N1)c1ccccc1)S)C(C)C
STL047610
Synonyms: (3-bromophenyl)[5-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone
Smiles: Clc1ccc(c(c1)c1[nH]ncc1C(=O)c1cccc(c1)Br)O
STL047619
Synonyms: 3-(2-methylpropyl)-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(Cn1c(S)nc2c(c1=O)c1CCCc1s2)C
STL047626
Synonyms: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dihydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4(3H)-one
Smiles: COc1cc(ccc1OC)CCn1c(O)nc(c(c1=O)C1NCCc2c1cccc2)O
STL047636
Synonyms: (2-{(E)-[1-(4-fluorobenzyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1ccccc1/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)O
STL047637
Synonyms: N-ethyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]cyclohexanecarboxamide
Smiles: CCN(C(=O)C1CCCCC1)Cc1cc2ccc(cc2[nH]c1=O)C
STL047643
Synonyms: N-[(2E)-6-methoxy-4-methylquinazolin-2(1H)-ylidene]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
Smiles: COc1ccc2c(c1)c(C)n/c(=N/c1nc(C)cc(n1)C(F)(F)F)/[nH]2
STL047646
Synonyms: N-[(4-hydroxy-2-thioxopyrimidin-1(2H)-yl)methyl]benzamide
Smiles: Oc1ccn(c(=S)n1)CNC(=O)c1ccccc1
STL047648
Synonyms: (5Z)-1-ethyl-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=NC(=O)/C(=C/c2cccn2C)/C1=O)S
STL047673
Synonyms: (5E)-5-({[3-(dimethylamino)propyl]amino}methylidene)-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CN(CCCN/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)C
STL047680
Synonyms: N-ethyl-3-methoxy-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCN(C(=O)c1cccc(c1)OC)Cc1cc2cccc(c2[nH]c1=O)C
STL047681
Synonyms: (2Z)-2-[(4-bromophenyl)imino]-4-hydroxy-3-(morpholin-4-yl)naphthalen-1(2H)-one
Smiles: Brc1ccc(cc1)/N=C\1/C(=C(O)c2c(C1=O)cccc2)N1CCOCC1
STL047686
Synonyms: 1-(3-methoxyphenyl)-3-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: COc1cccc(c1)NC(=O)/N=c/1\[nH]nc(s1)C(C)C
STL047687
Synonyms: 3,3-dimethyl-N-[(2Z)-4-phenyl-1,3-thiazol-2(3H)-ylidene]-3,4-dihydroisoquinolin-1-amine
Smiles: CC1(C)Cc2ccccc2C(=N1)/N=c/1\scc([nH]1)c1ccccc1
STL047698
Synonyms: 4-{(E)-[(2E)-phthalazin-1(2H)-ylidenehydrazinylidene]methyl}-N,N-dipropylaniline
Smiles: CCCN(c1ccc(cc1)/C=N/N=c\1/[nH]ncc2c1cccc2)CCC
STL047705
Synonyms: 1-(butan-2-yl)-4-(4-ethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CC)C)O
STL047706
Synonyms: 5-{(4E)-4-[(2,4-dimethylphenyl)imino]-3,4-dihydrophthalazin-1-yl}-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
Smiles: OCCNS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N/c2ccc(cc2C)C)/c2c1cccc2
STL047724
Synonyms: 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-sulfanylpyrimidin-4(3H)-one
Smiles: CCCCn1c(S)nc(c(c1=O)C1N(CCc2c1cc(OC)c(c2)OC)C(=O)C)O
STL047726
Synonyms: N-(3,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-3-carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1cccnc1)c1ccc(c(c1)C)C
STL047727
Synonyms: (E)-(3,4-dimethoxyphenyl)[2-(4-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc[nH+]c1)/[O-]
STL047730
Synonyms: (5Z)-6-hydroxy-3-(2-methoxyphenyl)-5-[(3-methylthiophen-2-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccccc1N1C(=O)N=C(/C(=C/c2sccc2C)/C1=O)O
STL047740
Synonyms: 4-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1cccnc1)O
STL047749
Synonyms: (4E)-5-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]pyrrolidine-2,3-dione
Smiles: OCCN1C(c2ccc(cc2)F)/C(=C(/C=C/c2ccccc2)\O)/C(=O)C1=O
STL047750
Synonyms: N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[(4E)-4-(phenylimino)-3,4-dihydrophthalazin-1-yl]benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCc1nc2c([nH]1)cccc2)c1n[nH]/c(=N/c2ccccc2)/c2c1cccc2
STL047758
Synonyms: 8-(2-{(Z)-[1-(4-fluorobenzyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}hydrazinyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)CN1C(=NC(=O)/C(=C/NNc2nc3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)S
STL047761
Synonyms: (E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1c1sc2c([nH+]1)cccc2
STL047765
Synonyms: 4-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1c1ccc(cc1)C
STL047769
Synonyms: 1-benzyl-2-methyl-N-[(1Z)-4-methylphthalazin-1(2H)-ylidene]-1H-benzimidazol-5-amine
Smiles: Cc1nc2c(n1Cc1ccccc1)ccc(c2)/N=c/1\[nH]nc(c2c1cccc2)C
STL047770
Synonyms: 5-(diethylammonio)-2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/n1cnnc1)CC
STL047775
Synonyms: (5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C\C=C\c2ccco2)/C(=N1)O
STL047786
Synonyms: N'-(benzo[cd]indol-2-yl)-4-methylbenzohydrazide
Smiles: Cc1ccc(cc1)C(=O)NNC1=Nc2c3c1cccc3ccc2
STL047794
Synonyms: (5E)-3-(2-fluorophenyl)-6-hydroxy-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NCCCN2CCOCC2)/C(=O)N1c1ccccc1F
STL047810
Synonyms: N-[2-hydroxy-3-(2-hydroxy-4,4-dimethyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)C)c1cccc(c1)[N+](=O)[O-])CN1C(=NC(C1=O)(C)C)O
STL047838
Synonyms: methyl(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-2-hydroxy-4,5-dioxo-1-phenylprolinate
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1(O)C(=O)OC)c1ccccc1)/O
STL047853
Synonyms: 5-(4-bromophenyl)-7-(4-methoxyphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)Br
STL047866
Synonyms: 3-{[(4E)-1-(4-methylphenyl)-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]amino}benzoicacid
Smiles: Cc1ccc(cc1)n1ncc2c1[nH]cn/c/2=N/c1cccc(c1)C(=O)O
STL047874
Synonyms: 1-[(2E)-6-(methoxymethyl)-4-oxo-3,4-dihydropyrimidin-2(1H)-ylidene]-3-(4-methoxyphenyl)guanidine
Smiles: COCc1[nH]/c(=N\C(=N)Nc2ccc(cc2)OC)/[nH]c(=O)c1
STL047887
Synonyms: (5Z)-5-(3-bromo-4-methoxybenzylidene)-3-(4-fluorobenzyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1Br)/C=C\1/C(=NC(=O)N(C1=O)Cc1ccc(cc1)F)O
STL047895
Synonyms: 3-({(2E,5Z)-5-[(1,2-dimethyl-1H-indol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoicacid
Smiles: O=C1N/C(=N\c2cccc(c2)C(=O)O)/S/C/1=C\c1c(C)n(c2c1cccc2)C
STL047899
Synonyms: 8-methyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: O=c1[nH]c2c(cc1c1noc(n1)c1cccnc1)cccc2C
STL047903
Synonyms: 7-(ethylsulfanyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CCSc1cc(C)nc2n1ncc2c1ccccc1
STL047910
Synonyms: 3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(OC)c(cc1c1nn2c(s1)nnc2c1[nH]nc2c1CCC2)OC
STL047914
Synonyms: 2-(2,4-dichlorophenoxy)-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccccc2)[nH]1)COc1ccc(cc1Cl)Cl
STL047928
Synonyms: 5-[(E)-(3-chlorophenyl)diazenyl]-2,6-dihydroxy-4-methylpyridine-3-carbonitrile
Smiles: N#Cc1c(O)nc(c(c1C)/N=N/c1cccc(c1)Cl)O
STL047940
Synonyms: N-[(2,2-diphenylethyl)carbamoyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NCC(c1ccccc1)c1ccccc1)C
STL047942
Synonyms: ethyl4-{[(3,4-dimethylphenyl)sulfonyl]amino}-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NS(=O)(=O)c1ccc(c(c1)C)C)c(OC)cc2)C
STL047948
Synonyms: methyl3-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}amino)benzoate
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2cccc(c2)C(=O)OC)/CC)/C1=O)O
STL047951
Synonyms: N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
Smiles: CCC(=O)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1
STL047956
Synonyms: 1-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-2-oxoethyl}-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccccc1)Nc1cc(=O)n(c(=O)n1C)C
STL047959
Synonyms: 1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-methylpropan-1-amine
Smiles: CC(C(c1nnc(o1)SCc1ccccc1F)N)C
STL047962
Synonyms: 2-(3-methylbutyl)-2,3-dihydro-1H-isoindole
Smiles: CC(CCN1Cc2c(C1)cccc2)C
STL047966
Synonyms: (2E)-3-(2-chlorophenyl)-N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]prop-2-enamide
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1)/C=C/c1ccccc1Cl
STL047972
Synonyms: (2Z)-2-[(3-fluorophenyl)imino]-6-(morpholin-4-yl)-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: Fc1cccc(c1)/N=c/1\nc(N)c(c([nH]1)N1CCOCC1)[N+](=O)[O-]
STL047974
Synonyms: 2-[(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1cc(C)nc2n1ncc2c1ccccc1
STL047975
Synonyms: N-[4-amino-5-nitro-6-(phenylamino)pyrimidin-2-yl]glycine
Smiles: OC(=O)CNc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STL047979
Synonyms: methylN-[(2,5-dimethoxyphenyl)carbamoyl]leucinate
Smiles: COC(=O)C(NC(=O)Nc1cc(OC)ccc1OC)CC(C)C
STL047980
Synonyms: 5-{5-[(2-methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentan-1-amine
Smiles: NCCCCCc1nnc(o1)SCc1ccccc1C
STL047982
Synonyms: N-[(4-fluorobenzyl)carbamoyl]alanine
Smiles: CC(C(=O)O)NC(=O)NCc1ccc(cc1)F
STL047989
Synonyms: 2-[(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl
STL047992
Synonyms: 1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-(1H-indol-3-yl)ethanamine
Smiles: NC(c1nnc(o1)SCc1ccccc1F)Cc1c[nH]c2c1cccc2
STL047994
Synonyms: 4-{(E)-[(2,4-dihydroxypyrimidin-5-yl)imino]methyl}-2-methoxyphenylfuran-2-carboxylate
Smiles: COc1cc(ccc1OC(=O)c1ccco1)/C=N/c1cnc(nc1O)O
STL047995
Synonyms: 1',6'-dimethyl-2,6-dioxo-1-phenyl-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: Cc1ccc2c(c1)CC1(C[NH+]2C)C(=NC(=O)N(C1=O)c1ccccc1)[O-]
STL047996
Synonyms: 9-fluoro-3-methyl-10-(4-methylpiperazin-4-ium-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
Smiles: C[NH+]1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)[O-])C
STL048004
Synonyms: (8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])OCc1cc2cccc(c2[nH]c1=O)C
STL048005
Synonyms: (2Z)-7-(4-chlorophenyl)-2-[(3,5-dimethylphenyl)imino]-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Clc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N/c1cc(C)cc(c1)C)/nc2
STL048013
Synonyms: N-(1,3-benzodioxol-5-ylcarbamoyl)alanine
Smiles: O=C(NC(C(=O)O)C)Nc1ccc2c(c1)OCO2
STL048026
Synonyms: (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[(furan-2-ylmethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: SC1=NC(=O)/C(=C/NCc2ccco2)/C(=O)N1CCC1=CCCCC1
STL048027
Synonyms: 3-(4-bromobenzyl)-5-nitro-1H-indazole
Smiles: Brc1ccc(cc1)Cc1n[nH]c2c1cc(cc2)[N+](=O)[O-]
STL048029
Synonyms: N-[(3Z)-1,7-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-4-carboxamide
Smiles: Cc1ccc2c(c1)nc1c(c2)/c(=N/C(=O)c2ccncc2)/[nH]n1C
STL048036
Synonyms: 2-[4-(2-phenoxyethoxy)benzyl]-1-azabicyclo[2.2.2]octan-3-one
Smiles: O=C1C2CCN(C1Cc1ccc(cc1)OCCOc1ccccc1)CC2
STL048041
Synonyms: 6-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}pyridazin-3(2H)-one
Smiles: O=c1ccc(n[nH]1)Oc1nc(nc(n1)N1CCCCC1)N1CCCCC1
STL048042
Synonyms: methyl1-methyl-6-nitro-2-oxo-1-(phenylcarbonyl)-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate
Smiles: COC(=O)C12C(=O)Oc3c(C1C2(C)C(=O)c1ccccc1)cc(cc3)[N+](=O)[O-]
STL048094
Synonyms: (5Z)-1-(3-methylphenyl)-4,6-dioxo-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinyl]methylidene}-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]
STL048101
Synonyms: 1-[2-(furan-2-ylmethyl)cyclohexyl]-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
Smiles: O=C(NC(c1cccc(c1)C(=C)C)(C)C)NC1CCCCC1Cc1ccco1
STL048102
Synonyms: 8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccccc1)C(F)(F)F
STL048106
Synonyms: 2-benzyl-12-(4-methoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)Cc1ccccc1)[O-]
STL048108
Synonyms: [(3Z)-3-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate
Smiles: [O-]C(=O)CN1c2ccccc2/C(=N/NC(=O)c2nnn(c2c2ccccc2Cl)c2nonc2[NH3+])/C1=O
STL048109
Synonyms: 4-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1
STL048111
Synonyms: N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
Smiles: CCC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccccc1
STL048117
Synonyms: 8-amino-5-hydroxy-2-(methylamino)-6-phenyl-6H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridine-7-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1)c(O)nc1c2sc(n1)NC
STL048120
Synonyms: 4-{4-[2-(naphthalen-1-yloxy)ethyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(C)C)CCC(=O)N1CCN(CC1)CCOc1cccc2c1cccc2
STL048133
Synonyms: 2-[4-(2,5-dichlorophenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Clc1ccc(c(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])Cl
STL048134
Synonyms: 3-(benzylammonio)-4-[(2-bromophenyl)amino]-4-oxobutanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1ccccc1Br)[NH2+]Cc1ccccc1
STL048139
Synonyms: (2Z)-3-[4-(carboxymethoxy)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C/c1ccc(cc1)OCC(=O)O)/Sc1[nH]nc([nH+]1)C
STL048140
Synonyms: (4Z)-4-(phenylimino)-6-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1nc(CN2CCN(CC2)c2ccccc2)[nH]/c(=N/c2ccccc2)/n1
STL048141
Synonyms: 2-{5-[(E)-(1-cyclopropyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-2,4-dimethoxybenzyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc(OC)c(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S
STL048153
Synonyms: N,N-diethyl-N'-(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)ethane-1,2-diamine
Smiles: CCN(CCNc1nc(CC)nc2c1oc1c2cccc1)CC
STL048161
Synonyms: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-methoxyquinolin-2(1H)-one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)c1noc(n1)c1ccccc1F
STL048164
Synonyms: (2Z)-7-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Fc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)F
STL048170
Synonyms: 3-[4-(3-ethoxyphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCOc1cccc(c1)OCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC
STL048171
Synonyms: N-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]-4-chloroaniline
Smiles: Clc1ccc(cc1)/N=c\1/[nH]cnc2c1oc1c2cccc1
STL048173
Synonyms: 5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nnc(s1)SCc1cc(O)n2c(n1)ncn2
STL048175
Synonyms: N-{[2-(4-chlorophenyl)ethyl]carbamoyl}methionine
Smiles: CSCCC(C(=O)O)NC(=O)NCCc1ccc(cc1)Cl
STL048181
Synonyms: N-(2-methoxyethyl)-2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: COCCNc1nc(nc2c1oc1c2cccc1)c1ccccc1
STL048187
Synonyms: 2-ethyl-N-(propan-2-yl)[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCc1nc(NC(C)C)c2c(n1)c1ccccc1o2
STL048192
Synonyms: 4-(4-benzylpiperazin-1-yl)-N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2ccccc2)/s1
STL048203
Synonyms: (5E)-6-hydroxy-5-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-3-methylpyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)CCN/C=C/1\C(=NC(=O)N(C1=O)C)O
STL048212
Synonyms: 4-hydroxy-6,7-dimethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NCCCN1CCN(CC1)C
STL048215
Synonyms:
Smiles: COCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2
STL048223
Synonyms: 2-[7-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-9-ium-8-yl]phenolate
Smiles: Clc1ccc(cc1)c1cn2c(n1c1ccccc1[O-])[nH+]c1c2c(=O)n(C)c(=O)n1C
STL048231
Synonyms: 3-{[(5-chlorothiophen-2-yl)sulfonyl]amino}-1H-indole-2-carboxylicacid
Smiles: Clc1ccc(s1)S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)O
STL048232
Synonyms: N'-[(Z)-(1-cyclohexyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C=C\1/C(=O)N=C(N(C1=O)C1CCCCC1)S
STL048235
Synonyms: N-[(3Z)-8-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-4-carboxamide
Smiles: CC(Cn1[nH]/c(=N\C(=O)c2ccncc2)/c2c1nc1c(C)cccc1c2)C
STL048242
Synonyms: (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1cc(OC)c(cc1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C)Br
STL048244
Synonyms: 3-(benzylammonio)-4-{[4-(diethylamino)phenyl]amino}-4-oxobutanoate
Smiles: CCN(c1ccc(cc1)NC(=O)C(CC(=O)[O-])[NH2+]Cc1ccccc1)CC
STL048249
Synonyms: N-[(3Z)-6-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-4-carboxamide
Smiles: CC(Cn1[nH]/c(=N\C(=O)c2ccncc2)/c2c1nc1ccc(cc1c2)C)C
STL048257
Synonyms: 6-methyl-5-({[5-(pyrrolidin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)pyrimidine-2,4(1H,3H)-dione
Smiles: Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(o1)C1CCCN1
STL048258
Synonyms: 4-[(4-chlorophenyl)amino]-4-oxo-3-(piperidinium-1-yl)butanoate
Smiles: O=C(C([NH+]1CCCCC1)CC(=O)[O-])Nc1ccc(cc1)Cl
STL048259
Synonyms: 3-{[1-(2,3-dimethoxyphenyl)but-3-en-1-yl]amino}propan-1-ol
Smiles: COc1c(C(NCCCO)CC=C)cccc1OC
STL048260
Synonyms: tert-butyl[1-(5-{[(2,4-dihydroxy-6-methylpyrimidin-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-3-(methylsulfanyl)propyl]carbamate
Smiles: CSCCC(c1nnc(o1)SCc1c(C)nc(nc1O)O)NC(=O)OC(C)(C)C
STL048270
Synonyms: 4-(1,3-benzodioxol-5-yl)-3-methyl-1-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1ccc3c(c1)OCO3)c(nn2c1ccc(cc1)C)C
STL048280
Synonyms: (5E)-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-3-cyclohexyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)C1CCCCC1)O
STL048285
Synonyms: 6-propyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]pyrimidin-4-ol
Smiles: CCCc1nc(nc(c1)O)Nc1nc(C)c2c(n1)cc(c(c2)C)C
STL048287
Synonyms: 2-{[5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-diethylacetamide
Smiles: CCN(C(=O)CSc1nnc(o1)C(Cc1ccccc1)N)CC
STL048289
Synonyms: 3-methyl-N-(3-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]benzamide
Smiles: Cc1cccc(c1)N(C(=O)c1cccc(c1)C)Cc1cc(=O)[nH]c2c1cccc2
STL048291
Synonyms: 2,12-diphenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: [O-]c1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc([nH+]n2cn1)c1ccccc1
STL048294
Synonyms: N-[(2Z)-3-[(3-methoxypropyl)amino]quinoxalin-2(1H)-ylidene]-4-methylbenzenesulfonamide
Smiles: COCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)C
STL048296
Synonyms: 2-(1H-indol-3-yl)-1-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
Smiles: CC(=C)CSc1nnc(o1)C(Cc1c[nH]c2c1cccc2)N
STL048297
Synonyms: 8-(dimethylamino)-6-hydroxy-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-2H-purin-2-one
Smiles: CN(c1nc2c(n1CC(=O)c1ccccc1)c(O)nc(=O)n2C)C
STL048300
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2-methoxy-5-nitrophenyl)-5,7-dimethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2C)[N+](=O)[O-]
STL048304
Synonyms: 5-amino-2-(1,3-benzothiazol-3-ium-2-yl)phenolate
Smiles: Nc1ccc(c(c1)[O-])c1sc2c([nH+]1)cccc2
STL048312
Synonyms: (2Z)-3-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-6-hydroxy-2,3,4,5-tetrahydropyrimidine-4-carboxylicacid
Smiles: OC(=O)C1CC(=N/C(=N\c2nc(C)cc(n2)C)/N1c1ccc(c(c1)Cl)F)O
STL048313
Synonyms: N-cyclooctyl-N'-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: O=C(NC1CCCCCCC1)CCC(=O)/N=c\1/[nH]nc(s1)C(C)C
STL048314
Synonyms: (2Z)-3-(2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1cc(OC)ccc1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C
STL048316
Synonyms: 1-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
Smiles: NC(c1nnc(o1)SCc1ccccc1)Cc1ccccc1
STL048321
Synonyms: 6'-amino-5-chloro-3'-ethyl-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(Cl)cc1)c(CC)[nH]n2
STL048326
Synonyms: (5E)-6-hydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/NCCCn1cncc1
STL048338
Synonyms: (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-1-(pyridin-2-yl)-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)/C(=C\1/C(c2cccnc2)N(C(=O)C1=O)c1ccccn1)/O
STL048340
Synonyms: (2Z)-2-[(3-chlorophenyl)imino]-N~6~-(3-fluorophenyl)-5-nitro-1,2-dihydropyrimidine-4,6-diamine
Smiles: Fc1cccc(c1)Nc1[nH]/c(=N/c2cccc(c2)Cl)/nc(c1[N+](=O)[O-])N
STL048343
Synonyms: 3-(4-chlorophenyl)-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F
STL048350
Synonyms: N-[3-(furan-2-yl)-4-phenylbutyl]-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: Cc1nc(NCCC(c2ccco2)Cc2ccccc2)c2c(n1)c1ccccc1o2
STL048361
Synonyms: (1E)-1-[(4-methoxyphenyl)imino]-3-methyl-2-(4-methylbenzyl)-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(Cc2ccc(cc2)C)/c(=N\c2ccc(cc2)OC)/n2c1[nH]c1c2cccc1
STL048364
Synonyms: 4-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)CC(C)C)Cl
STL048365
Synonyms: (2E)-3-(3-ethoxy-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1cc(ccc1OC)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C
STL048366
Synonyms: 8-[(2Z)-2-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl]-6-hydroxy-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CC(OCC(Cn1c(N/N=C\2/C(=NC(=NC2=O)O)O)nc2c1c(O)nc(=O)n2C)O)C
STL048370
Synonyms: 4-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)F)/s1
STL048373
Synonyms: N,N-diethyl-N'-(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)ethane-1,2-diamine
Smiles: CCN(CCNc1nc(nc2c1oc1c2cccc1)c1ccccc1)CC
STL048375
Synonyms: (5E)-5-{1-[(1-benzylpiperidinium-4-yl)amino]propylidene}-2-hydroxy-6-oxo-5,6-dihydropyrimidin-4-olate
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)[O-])/NC1CC[NH+](CC1)Cc1ccccc1
STL048376
Synonyms: 6-amino-4-(4-hydroxyphenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: COc1cccc(c1)c1[nH]nc2c1C(c1ccc(cc1)O)C(=C(O2)N)C#N
STL048378
Synonyms: 8-bromo-6-hydroxy-3-methyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Smiles: Cc1ccnc(n1)SCCn1c(Br)nc2c1c(O)nc(=O)n2C
STL048382
Synonyms: 2-[(E)-{2-[(4-nitro-1H-pyrazol-2-ium-1-yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: O=C(Cn1[nH+]cc(c1)[N+](=O)[O-])N/N=C/c1ccccc1[O-]
STL048400
Synonyms: ethyl{(5E)-5-[(cyclohexylcarbonyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N\C(=O)C2CCCCC2)/s1
STL048407
Synonyms: 4,7-dihydroxy-1-(2-methylpropyl)-5,5-bis(trifluoromethyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: CC(Cn1c(=O)nc(c2c1N=C(O)NC2(C(F)(F)F)C(F)(F)F)O)C
STL048413
Synonyms: 5-(2-fluorophenyl)-4-{[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1ccccc1F
STL048426
Synonyms: N,N-diethyl-2-(2-nitro-10H-indolo[3,2-b]quinolin-10-yl)ethanamine
Smiles: CCN(CCn1c2ccccc2c2c1cc1cc(ccc1n2)[N+](=O)[O-])CC
STL048428
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)furan-2-carboxamide
Smiles: CC(N(C(=O)c1ccco1)Cc1cc2ccccc2[nH]c1=O)C
STL048429
Synonyms: N-[(3Z)-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-4-carboxamide
Smiles: CC(Cn1[nH]/c(=N\C(=O)c2ccncc2)/c2c1nc1ccccc1c2)C
STL048452
Synonyms: 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-6-methylquinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)c1noc(n1)C(C)(C)C
STL048453
Synonyms: 3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: CC(c1onc(n1)c1cc2ccccc2[nH]c1=O)C
STL048467
Synonyms: N-(4-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]acetamide
Smiles: COc1ccc(cc1)N(C(=O)C)Cc1cc(=O)[nH]c2c1cccc2
STL048473
Synonyms: 8-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-hydroxy-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(N/N=C/c2ccc(cc2)F)nc2c1c(O)nc(=O)n2C
STL048476
Synonyms: 4-amino-2-[5-(propan-2-yl)-1,3-benzoxazol-3-ium-2-yl]phenolate
Smiles: Nc1ccc(c(c1)c1oc2c([nH+]1)cc(cc2)C(C)C)[O-]
STL048494
Synonyms: (5Z)-6-hydroxy-5-(2-{6-hydroxy-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl}hydrazinylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)OCC(Cn1c(N/N=C/2\C(=O)NC(=O)N=C2O)nc2c1c(O)nc(=O)n2C)O
STL048505
Synonyms: N'-[(1Z)-1-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]-2-chlorobenzohydrazide
Smiles: O=C1N=C(O)/C(=C(/NNC(=O)c2ccccc2Cl)\C)/C(=O)N1Cc1ccccc1
STL048508
Synonyms: N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(pyrrolidin-1-yl)butanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCCC2)/s1
STL048509
Synonyms: 9a-[(E)-2-(2-fluorophenyl)ethenyl]-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Smiles: O=C1CN2C(N1)(/C=C/c1ccccc1F)C(c1c2ccc(c1)C)(C)C
STL048514
Synonyms: 4-[(E)-{[3-(2-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)O
STL048515
Synonyms: ethyl4-(3-methyl-6-oxo-4-phenyl-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1ccccc1)c([nH]n2)C
STL048517
Synonyms: 7-benzyl-8-[(furan-2-ylmethyl)amino]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(Cc1ccccc1)c(n2)NCc1ccco1)C
STL048564
Synonyms: pyridine-2,6-diyldimethanediylbis(methylcarbamate)
Smiles: CNC(=O)OCc1cccc(n1)COC(=O)NC
STL048574
Synonyms: methylN-[(2,4-dimethoxybenzyl)carbamoyl]leucinate
Smiles: COC(=O)C(NC(=O)NCc1ccc(cc1OC)OC)CC(C)C
STL048589
Synonyms: 8-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-hydroxy-3-methyl-7-propyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCn1c(N/N=C/c2ccc(cc2)F)nc2c1c(O)nc(=O)n2C
STL048593
Synonyms: 2-{[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Smiles: NCCc1nnc(o1)SCC(=O)Nc1c(C)cccc1C
STL048606
Synonyms: N-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}phenylalanine
Smiles: OC(=O)C(NC(=O)N1CCN(CC1)c1ccc(cc1)F)Cc1ccccc1
STL048610
Synonyms: 3-chloro-N-[(2E)-5-[2-(piperidin-1-yl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Clc1cccc(c1)C(=O)/N=c/1\[nH]nc(s1)CCN1CCCCC1
STL048634
Synonyms: 3-(2,6-dichlorophenyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-imine5,5-dioxide
Smiles: N=C1SC2C(N1c1c(Cl)cccc1Cl)CS(=O)(=O)C2
STL048637
Synonyms: methyl3-{[(1E)-1-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]amino}benzoate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/Nc1cccc(c1)C(=O)OC
STL048650
Synonyms: N-(3-butyl-2-hydroxy-7-methyl-4-oxo-3,4-dihydrobenzo[g]pteridin-8-yl)-2,2,2-trifluoroacetamide
Smiles: CCCCn1c(O)nc2c(c1=O)nc1c(n2)cc(c(c1)C)NC(=O)C(F)(F)F
STL048662
Synonyms: (11E)-11-[(4-butylphenyl)imino]-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Smiles: CCCCc1ccc(cc1)/N=c/1\c2CCCCc2c(c2n1c1ccccc1[nH]2)C#N
STL048668
Synonyms: 2-methoxy-N-[(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)c2ccccc2OC)/s1
STL048669
Synonyms: 4-{[(3Z)-3-{[(4-methoxyphenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoicacid
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)C(=O)O
STL048671
Synonyms: (2Z)-6-(4-benzylpiperazin-1-yl)-2-[(3,4-dimethylphenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)n/c(=N\c2ccc(c(c2)C)C)/[nH]c1N1CCN(CC1)Cc1ccccc1
STL048676
Synonyms: tert-butyl[(1S)-1-{5-[(3,4-dichlorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}ethyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)S(=O)(=O)Cc1ccc(c(c1)Cl)Cl)C
STL048682
Synonyms: 2-(1H-indol-3-yl)-1-{5-[(2-methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
Smiles: NC(c1nnc(o1)SCc1ccccc1C)Cc1c[nH]c2c1cccc2
STL048685
Synonyms: azepan-1-yl[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
Smiles: O=C(N1CCCCCC1)C1CCCN(C1)Cc1ccco1
STL048694
Synonyms: (E)-{1-ethyl-1'-[3-(morpholin-4-ium-4-yl)propyl]-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: CCN1c2ccccc2C2(C1=O)N(CCC[NH+]1CCOCC1)C(=O)C(=O)/C/2=C(\c1ccc(o1)C)/[O-]
STL048695
Synonyms: methyl2-amino-5-hydroxy-7-methyl-4-(pyridin-3-yl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1cccnc1)c(O)nc(c2)C
STL048709
Synonyms: N-[(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3-methylphenoxy)acetamide
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)COc2cccc(c2)C)/s1
STL048716
Synonyms: 2-{[5-(1-amino-2-methylbutyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Smiles: CCC(C(c1nnc(o1)SCC(=O)N)N)C
STL048718
Synonyms: 5-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}pyrimidine-2,4-diol
Smiles: COc1cc(/C=N/c2cnc(nc2O)O)ccc1OC
STL048721
Synonyms: N-[(3Z)-1-ethyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-2-carboxamide
Smiles: CCn1[nH]/c(=N\C(=O)c2ccccn2)/c2c1nc1c(c2)cccc1C
STL048730
Synonyms: 4H-benzo[b]pyrazolo[3,4-h][1,6]naphthyridin-1-amine
Smiles: Nc1nnc2c1c1nc3ccccc3cc1c[nH]2
STL048740
Synonyms: 4-[2-(3-nitrophenyl)-5-(4-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl4-chloro-1-methyl-1H-pyrazole-5-carboxylate
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C(c1ccc(cc1)OC(=O)c1c(Cl)cnn1C)N(O2)c1cccc(c1)[N+](=O)[O-]
STL048753
Synonyms: N-[(2E)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]thiophene-2-carboxamide
Smiles: O=C(c1cccs1)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N
STL048758
Synonyms: 6'-amino-1,3-dimethyl-3'-propyl-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: CCCc1[nH]nc2c1C1(CCN(CC1C)C)C(=C(O2)N)C#N
STL048761
Synonyms: (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(CCN2C(=O)N=C(/C(=C/NCCCn3cncc3)/C2=O)O)ccc1OC
STL048766
Synonyms: 2-methyl-5-(1-methyl-1H-benzimidazol-3-ium-2-yl)furan-3-sulfonate
Smiles: Cn1c([nH+]c2c1cccc2)c1oc(c(c1)S(=O)(=O)[O-])C
STL048767
Synonyms: ethyl2-methyl-9-propyl-9H-imidazo[1,2-a]benzimidazole-3-carboxylate
Smiles: CCOC(=O)c1c(C)nc2n1c1ccccc1n2CCC
STL048776
Synonyms: {(3E)-2-(4-fluorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)F
STL048779
Synonyms: (5E)-5-(1-{[3-(dimethylamino)propyl]amino}propylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C/1\C(=O)NC(=O)N=C1O)/NCCCN(C)C
STL048784
Synonyms: 2-[(3,4-dichlorobenzyl)sulfanyl]-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole
Smiles: Clc1ccc(cc1Cl)CSc1nnc(o1)C1CCCN1
STL048792
Synonyms: 2-{[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Smiles: NCCCCCc1nnc(o1)SCC(=O)Nc1ccc(cc1)Br
STL048793
Synonyms: 4-chloro-2-[4-(4-fluorophenyl)-6-phenylpyridinium-2-yl]phenolate
Smiles: Fc1ccc(cc1)c1cc([nH+]c(c1)c1cc(Cl)ccc1[O-])c1ccccc1
STL048797
Synonyms: 1-(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylicacid
Smiles: CCc1nc(N2CCC(CC2)C(=O)O)c2c(n1)c1ccccc1o2
STL048804
Synonyms: 5-acetyl-3-hexyl-2-hydroxy-6-oxo-3,6-dihydropyrimidin-4-olate
Smiles: CCCCCCn1c(O)nc(=O)c(c1[O-])C(=O)C
STL048805
Synonyms: methyl{2-[(4-ethoxyphenyl)amino]-6-hydroxypyrimidin-4-yl}acetate
Smiles: CCOc1ccc(cc1)Nc1nc(O)cc(n1)CC(=O)OC
STL048813
Synonyms: 4-{[(E)-naphthalen-1-ylmethylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1cccc2c1cccc2)c1[nH]nc2c1CCC2
STL048818
Synonyms: (5E)-6-hydroxy-5-(1-{[2-(morpholin-4-yl)ethyl]amino}propylidene)-3-phenylpyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O)/NCCN1CCOCC1
STL048822
Synonyms: methylN-({4-[(E)-2-phenylethenyl]piperazin-1-yl}carbonyl)valinate
Smiles: COC(=O)C(C(C)C)NC(=O)N1CCN(CC1)/C=C/c1ccccc1
STL048827
Synonyms: N-(3-chloro-4-methylphenyl)-6-hydroxy-2-(piperidin-1-yl)-4,5-dihydropyrimidine-4-carboxamide
Smiles: O=C(C1CC(=NC(=N1)N1CCCCC1)O)Nc1ccc(c(c1)Cl)C
STL048829
Synonyms: 3-(4-bromophenyl)-4-oxo-8-(pyrrolidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: Brc1ccc(cc1)c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCC1)[O-]
STL048837
Synonyms: 2,4-dichloro-N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)/N=c\1/[nH]nc(s1)Cc1c[nH]c2c1cccc2
STL048841
Synonyms: N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)/s1)C
STL048842
Synonyms: 6-chloro-3-[(1Z)-2-hydroxy-4-methylpent-1-en-1-yl]-2H-1,4-benzoxazin-2-one
Smiles: CC(C/C(=C/c1nc2cc(Cl)ccc2oc1=O)/O)C
STL048847
Synonyms: (5E)-5-{1-[(2,4-dimethoxyphenyl)amino]propylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: COc1ccc(c(c1)OC)N/C(=C/1\C(=NC(=NC1=O)O)O)/CC
STL048855
Synonyms: 6-(4-bromophenyl)-7-(4-fluorophenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1C2=C(Nc3n1ncn3)c1c(OC2c2ccc(cc2)Br)cccc1
STL048858
Synonyms: ethyl[(5E)-5-{[(3-nitrophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N\C(=O)c2cccc(c2)[N+](=O)[O-])/s1
STL048863
Synonyms: 2-[4-(2-chlorophenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Clc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]
STL048870
Synonyms: 3-(propan-2-yl)-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Smiles: CC(c1csc2c1c(=O)n1c(n2)CCCCC1)C
STL048880
Synonyms: 1-[2-(2-chlorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccccc1Cl
STL048888
Synonyms: 6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinolin-2(1H)-one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)c1noc(n1)c1ccccc1
STL048890
Synonyms: 6-(5-bromofuran-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Brc1ccc(o1)c1sc2n(n1)c(nn2)c1n[nH]c(c1)c1ccccc1
STL048891
Synonyms: N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(thiophen-2-ylmethyl)butanediamide
Smiles: O=C(NCc1cccs1)CCC(=O)/N=c\1/[nH]nc(s1)C(C)C
STL048895
Synonyms: (5E)-3-benzyl-5-{1-[(4-fluorobenzyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CN/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/C
STL048897
Synonyms: 3-({(E)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)benzoicacid
Smiles: CCC(N1C(=NC(=O)/C(=C\Nc2cccc(c2)C(=O)O)/C1=O)S)C
STL048899
Synonyms: N-[(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-methoxyphenoxy)acetamide
Smiles: COc1cc(ccc1OC)c1n[nH]/c(=N\C(=O)COc2ccccc2OC)/s1
STL048903
Synonyms: 6-(naphthalen-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1[nH]nc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STL048906
Synonyms: methylN-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)leucinate
Smiles: COC(=O)C(NC(=O)NC1CCCc2c1cccc2)CC(C)C
STL048924
Synonyms: {2-(4-fluorophenyl)-1-(4-methylphenyl)-4-[(4-methylphenyl)ammonio]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}acetate
Smiles: Cc1ccc(cc1)[NH2+]C1=C(CC(=O)[O-])C(N(C1=O)c1ccc(cc1)C)c1ccc(cc1)F
STL048925
Synonyms: N-[(2E)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: COc1ccc(cc1)/C=C/c1n[nH]/c(=N\C(=O)C(C)C)/s1
STL048932
Synonyms: 9-(3,5-dimethylphenyl)-4-hydroxy-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
Smiles: Cc1cc(C)cc(c1)N1CCCn2c1nc1c2c(O)nc(=O)n1C
STL048935
Synonyms: 5-[(1E)-N-(4-ethoxyphenyl)propanimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: CCOc1ccc(cc1)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\CC
STL048940
Synonyms: 4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/C=C/c1ccco1)c1n[nH]c(c1)c1ccccc1
STL048947
Synonyms: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-4-ium-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Smiles: COc1c(N2CC[NH2+]C(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)[O-])C1CC1
STL048951
Synonyms: ethyl{[5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc(o1)C(Cc1ccccc1)N
STL048959
Synonyms: (2-{[(2E)-6-chloro-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl)phosphonicacid
Smiles: Clc1ccc2c(c1)s/c(=N/C(=O)CP(=O)(O)O)/[nH]2
STL048963
Synonyms: (5E)-5-{[(2-aminophenyl)amino]methylidene}-1-(butan-2-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCC(N1C(=NC(=O)/C(=C\Nc2ccccc2N)/C1=O)S)C
STL048970
Synonyms: (5E)-6-hydroxy-5-{[(4-hydroxy-6-methylpyrimidin-2-yl)amino]methylidene}-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C/Nc2nc(C)cc(n2)O)/C(=N1)O
STL048971
Synonyms: N-[4-hydroxy-2,6-dioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Smiles: CC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2CCc1ccccc1)C(F)(F)F
STL048979
Synonyms: (5Z)-1-cycloheptyl-5-({[3-(morpholin-4-ium-4-yl)propyl]amino}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: O=C1N=C([O-])/C(=C/NCCC[NH+]2CCOCC2)/C(=O)N1C1CCCCCC1
STL048993
Synonyms: methyl2-amino-4-(4-chlorophenyl)-5-hydroxy-7-methyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)Cl)c(O)nc(c2)C
STL048994
Synonyms: 5-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: Fc1cccc(c1)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\C
STL049002
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1ncccn1)c(O)nc(=O)n2C
STL049003
Synonyms: N-[(3Z)-1-ethyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3-methylbutanamide
Smiles: CCn1[nH]/c(=N\C(=O)CC(C)C)/c2c1nc1cc(C)ccc1c2
STL049027
Synonyms: 4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F
STL049028
Synonyms: 1-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-2-oxoethyl}-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)Nc1cc(=O)n(c(=O)n1C)C
STL049030
Synonyms: 2,2'-[(3,4-dimethoxyphenyl)methanediyl]bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]
Smiles: COc1cc(ccc1OC)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)C1C(=O)CC(CC1=O)c1ccc(cc1)OC
STL049031
Synonyms: 1-(4-methylbenzyl)-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Cc1ccc(cc1)Cn1cc([n+]2c1CCC2)c1ccccc1
STL049033
Synonyms: 4-hydroxy-N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CC(Cc1n[nH]/c(=N\C(=O)c2c(=O)[nH]c3c(c2O)cccc3)/s1)C
STL049039
Synonyms: N-(4-{[(3Z)-3-{[(3,4-dimethylphenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(c(c1)C)C
STL049045
Synonyms: (5Z)-5-{1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene}-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C=CCN1C(=O)N=C(/C(=C(/NN2CC[NH+](CC2)C)\C)/C1=O)[O-]
STL049052
Synonyms: methyl3-{[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]amino}benzoate
Smiles: COC(=O)c1cccc(c1)N/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
STL049054
Synonyms: 3-(4-chlorophenyl)-1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Clc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(c(c1)Cl)Cl
STL049057
Synonyms: (2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Clc1cccc(c1)c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C
STL049058
Synonyms: 6-(2,5-dimethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)c1ccccc1)OC
STL049059
Synonyms: 3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: O=c1[nH]c2ccccc2cc1c1noc(n1)c1ccco1
STL049065
Synonyms: N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nc(cc1C)[N+](=O)[O-])N/N=C/c1ccc(cc1O)O
STL049077
Synonyms: 5-(2-fluorophenyl)-4-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1O)/C=N/n1c(=S)[nH]nc1c1ccccc1F
STL049078
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-]
STL049083
Synonyms: 3-chloro-2-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine
Smiles: Clc1c(CN2CCCCC2)nc2n1cccc2
STL049087
Synonyms: N-(4-methylphenyl)-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)Nc2ccc(cc2)C)/s1)C
STL049095
Synonyms: (2Z)-2-[(3-chlorophenyl)imino]-5-nitro-N~6~-phenyl-1,2-dihydropyrimidine-4,6-diamine
Smiles: Clc1cccc(c1)/N=c/1\nc(N)c(c([nH]1)Nc1ccccc1)[N+](=O)[O-]
STL049097
Synonyms: 2-amino-3-[(6-methoxy-4-methylquinolin-2-yl)sulfanyl]propanoate
Smiles: COc1ccc2c(c1)c(C)cc(n2)SCC(C(=O)[O-])N
STL049098
Synonyms: 5-[(4-methoxyphenoxy)methyl]furan-3-carboxylate
Smiles: COc1ccc(cc1)OCc1occ(c1)C(=O)[O-]
STL049106
Synonyms: (5E)-1-cycloheptyl-2,6-dioxo-5-[(piperidinium-1-ylamino)methylidene]-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: [O-]C1=NC(=O)N(C(=O)/C/1=C/N[NH+]1CCCCC1)C1CCCCCC1
STL049117
Synonyms: 8-[(furan-2-ylmethyl)amino]-6-hydroxy-3,7-dimethyl-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(C)c(n2)NCc1ccco1)C
STL049141
Synonyms: N-[(3Z)-1-ethyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-4-carboxamide
Smiles: CCn1[nH]/c(=N\C(=O)c2ccncc2)/c2c1nc1c(C)cccc1c2
STL049146
Synonyms: N-[1-(3,5-dimethoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-3-(4-methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)CCC(=O)NC1(C2=C(N(C1=O)Cc1cc(OC)cc(c1)OC)CC(CC2=O)(C)C)C(F)(F)F
STL049148
Synonyms: 1'-[(4-chlorophenyl)carbonyl]-2'-[(4-fluorophenyl)carbonyl]-7'-methyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)C1C(C(=O)c2ccc(cc2)Cl)N2C(C31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C
STL049150
Synonyms: 4-bromo-2-methoxy-6-{(E)-[2-(morpholin-4-ium-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenolate
Smiles: COc1cc(Br)cc(c1[O-])/C=C\1/SC(=NC1=O)[NH+]1CCOCC1
STL049165
Synonyms: N-{(E)-3,4-dihydroisoquinolin-2(1H)-yl[(4,6-dimethylpyrimidin-2-yl)imino]methyl}-2,2,2-trifluoroacetamide
Smiles: Cc1cc(C)nc(n1)/N=C(/N1CCc2c(C1)cccc2)\NC(=O)C(F)(F)F
STL049168
Synonyms: methylN-[(4-chlorobenzyl)carbamoyl]methioninate
Smiles: COC(=O)C(NC(=O)NCc1ccc(cc1)Cl)CCSC
STL049171
Synonyms: 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(c(c1)C)C
STL049172
Synonyms: 12-(4-methoxyphenyl)-2-(3-methylphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1cccc(c1)C)[O-]
STL049180
Synonyms: 1-(3-methoxyphenyl)-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: COc1cccc(c1)N1C(=O)N=C(C2(C1=O)C[NH+](C)c1c(C2)cc(cc1)C)[O-]
STL049187
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)acetamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C)C(C)C
STL049193
Synonyms: N-cyclooctyl-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)NC2CCCCCCC2)/s1)C
STL049195
Synonyms: 2-[4-(3-methoxyphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: COc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]
STL049201
Synonyms: tert-butyl(2-{5-[(3-fluorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}ethyl)carbamate
Smiles: O=C(OC(C)(C)C)NCCc1nnc(o1)S(=O)(=O)Cc1cccc(c1)F
STL049203
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene][4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/[O-])C
STL049208
Synonyms: 6-phenyl-3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: c1ccc(cc1)c1nn2c(s1)nnc2c1[nH]nc2c1CCC2
STL049209
Synonyms: 2-{4-[2-methyl-5-(propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: CC(c1ccc(c(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C)C
STL049211
Synonyms: (2Z)-2-[(4-fluorophenyl)imino]-7,7-dimethyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Fc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)(C)C
STL049217
Synonyms: N-[(2Z)-3-(cyclohexylamino)quinoxalin-2(1H)-ylidene]-4-methoxybenzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NC1CCCCC1
STL049218
Synonyms: 4-ethoxy-N-[(3E)-6-methoxy-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: CCCn1[nH]/c(=N/C(=O)c2ccc(cc2)OCC)/c2c1nc1ccc(cc1c2)OC
STL049222
Synonyms: 4-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)Cl)/s1)C
STL049223
Synonyms: methylN-{[2-(4-chlorophenyl)ethyl]carbamoyl}leucinate
Smiles: COC(=O)C(NC(=O)NCCc1ccc(cc1)Cl)CC(C)C
STL049229
Synonyms: 8-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-dimethyl-7-(4-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: [O-][N+](=O)c1ccc(cc1)c1cn2c(n1c1c(C)n(n(c1=O)c1ccccc1)C)nc1c2c(=O)n(c(=O)n1C)C
STL049232
Synonyms: ethyl[(5E)-5-{[(4-nitrophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N\C(=O)c2ccc(cc2)[N+](=O)[O-])/s1
STL049241
Synonyms: 5-[(1E)-N-(3-fluorophenyl)propanimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: CC/C(=N\c1cccc(c1)F)/c1c(O)n(C)c(=O)n(c1=O)C
STL049250
Synonyms: (2Z)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Clc1ccc(cc1)c1ccc(o1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C
STL049254
Synonyms: (5E)-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C/1\C(=O)NC(=O)N=C1O)/NCCc1c[nH]c2c1cccc2
STL049265
Synonyms: methyl3-{[(1E)-1-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propylidene]amino}benzoate
Smiles: CC/C(=N\c1cccc(c1)C(=O)OC)/c1c(O)n(C)c(=O)n(c1=O)C
STL049277
Synonyms: 2-[(4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1N)C1CCCCC1
STL049284
Synonyms: 2-amino-3-(1H-indol-3-yl)-N'-[(E)-quinoxalin-6-ylmethylidene]propanehydrazide(non-preferredname)
Smiles: O=C(C(Cc1c[nH]c2c1cccc2)N)N/N=C/c1ccc2c(c1)nccn2
STL049292
Synonyms: (5E)-5-{1-[(4-ethoxyphenyl)amino]propylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: CCOc1ccc(cc1)N/C(=C/1\C(=NC(=NC1=O)O)O)/CC
STL049296
Synonyms: 3-{[(1E)-1-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethylidene]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\C
STL049297
Synonyms: 3-{5-[(pyridinium-2-ylmethyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
Smiles: [O-]C(=O)c1cccc(c1)n1nnnc1SCc1cccc[nH+]1
STL049304
Synonyms: (2E)-3-(9-ethyl-9H-carbazol-3-yl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCn1c2ccc(cc2c2c1cccc2)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C
STL049319
Synonyms: (2Z)-2-[2-(2-methylquinolin-4-yl)hydrazinylidene]butanedioicacid
Smiles: OC(=O)C/C(=N/Nc1cc(C)nc2c1cccc2)/C(=O)O
STL049344
Synonyms: 4-fluoro-N-[(2Z)-3-[(3-methoxypropyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: COCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)F
STL049352
Synonyms: (5Z)-5-[(1-acetyl-1H-indol-3-yl)methylidene]-3-(2,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)N=C(/C(=C/c2cn(c3c2cccc3)C(=O)C)/C1=O)O
STL049364
Synonyms: 3-(2-bromophenoxy)-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-methyl-4-oxo-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(C)c(c2=O)Oc1ccccc1Br
STL049365
Synonyms: N-[(2,3-dichlorophenyl)carbamoyl]isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)Nc1cccc(c1Cl)Cl)C
STL049366
Synonyms: ethyl4-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C(=C\1/C(=NC(=NC1=O)O)O)/C
STL049373
Synonyms: 3-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}-6,7-dimethoxy-2-methylquinazolin-4(3H)-one
Smiles: COc1cc2c(cc1OC)nc(n(c2=O)/N=C/c1cc(ccc1O)[N+](=O)[O-])C
STL049390
Synonyms: 5-{[(4-chlorophenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)SCc1cc(O)n2c(n1)ncn2
STL049399
Synonyms: N'-[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]-2-hydroxybenzohydrazide
Smiles: OC1=NC(=O)/C(=C(/NNC(=O)c2ccccc2O)\C)/C(=N1)O
STL049402
Synonyms: 6-hydroxy-3-methyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-2H-purin-2-one
Smiles: C=CCNc1[nH]c2c(n1)n(C)c(=O)nc2O
STL049425
Synonyms: methylN-[(4-sulfamoylbenzyl)carbamoyl]isoleucinate
Smiles: CCC(C(C(=O)OC)NC(=O)NCc1ccc(cc1)S(=O)(=O)N)C
STL049427
Synonyms: 3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-imine5,5-dioxide
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)N1C(=N)SC2C1CS(=O)(=O)C2
STL049433
Synonyms: 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Brc1ccccc1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1
STL049435
Synonyms: 4-hydroxy-1-{1-[1-(2-methylphenyl)-1H-tetrazol-5-yl]cyclohexyl}pyrrolidinium-2-carboxylate
Smiles: OC1C[NH+](C(C1)C(=O)[O-])C1(CCCCC1)c1nnnn1c1ccccc1C
STL049446
Synonyms: (5E)-4,6-dioxo-1-(prop-2-en-1-yl)-5-[(1-propyl-1,2,3,4-tetrahydroquinolinium-6-yl)methylidene]-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: C=CCN1C(=NC(=O)/C(=C\c2ccc3c(c2)CCC[NH+]3CCC)/C1=O)[S-]
STL049449
Synonyms: (5E)-1-butyl-5-[(1-ethyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CC)/C1=O)S
STL049458
Synonyms: N-(3-ethoxypropyl)-2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCOCCCNc1nc(CC)nc2c1oc1c2cccc1
STL049464
Synonyms: 2-({(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)-4-(methylsulfonyl)butanoicacid
Smiles: Clc1ccc(cc1)N1C(=NC(=O)/C(=C\NC(C(=O)O)CCS(=O)(=O)C)/C1=O)S
STL049467
Synonyms: 2,2-dibromo-N-(hydrazinylcarbonothioyl)-1-methylcyclopropanecarboxamide
Smiles: NNC(=S)NC(=O)C1(C)CC1(Br)Br
STL049471
Synonyms: ethyl[(5-{1-[(tert-butoxycarbonyl)amino]ethyl}-1,3,4-oxadiazol-2-yl)sulfonyl]acetate
Smiles: CCOC(=O)CS(=O)(=O)c1nnc(o1)C(NC(=O)OC(C)(C)C)C
STL049472
Synonyms: N'-[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C=C\1/C(=NC(=O)N(C1=O)CCC1=CCCCC1)O
STL049475
Synonyms: 2-methyl-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Smiles: O=C1N=c2[nH]c(nn2C(C1)c1ccccc1)NC(=O)c1ccccc1C
STL049476
Synonyms: (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Smiles: COc1cc(/C=C(\C(=O)[O-])/Sc2[nH]nc([nH+]2)C)cc(c1OC)OC
STL049490
Synonyms: methylN-[(2-methoxybenzyl)carbamoyl]leucinate
Smiles: COC(=O)C(NC(=O)NCc1ccccc1OC)CC(C)C
STL049509
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)C
STL049511
Synonyms: 3-cyclohexyl-N-[1-(2,3-dimethoxybenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]propanamide
Smiles: COc1cccc(c1OC)CN1C2=C(C(C1=O)(NC(=O)CCC1CCCCC1)C(F)(F)F)C(=O)CC(C2)(C)C
STL049514
Synonyms: 2-{(E)-[(2-methyl-1H-3,1-benzimidazol-3-ium-1-yl)imino]methyl}-4-nitrophenolate
Smiles: [O-]c1ccc(cc1/C=N/n1c(C)[nH+]c2c1cccc2)[N+](=O)[O-]
STL049518
Synonyms: N-[(3E)-6-methoxy-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]tetrahydrofuran-2-carboxamide
Smiles: COc1ccc2c(c1)cc1c(n2)n([nH]/c/1=N/C(=O)C1CCCO1)CC(C)C
STL049522
Synonyms: 1-imino-3-phenyl[1,3]thiazolo[3,4-a]quinoxalin-4-ol
Smiles: N=c1sc(c2n1c1ccccc1nc2O)c1ccccc1
STL049523
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(thiophen-2-yl)pyrrolidin-3-ylidene][4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)Cc1ccc[nH+]c1)/[O-])C
STL049533
Synonyms: 2-[(4-methylphenoxy)methyl]-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: Cc1ccc(cc1)OCc1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]
STL049548
Synonyms: (2E)-3-(1,3-benzodioxol-5-yl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1ccc2c(c1)OCO2)/Sc1[nH]nc([nH+]1)C
STL049552
Synonyms: 2-{[5-(1-amino-3-methylbutyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
Smiles: CC(CC(c1nnc(o1)SCC(=O)c1ccc(cc1)Cl)N)C
STL049556
Synonyms: N,N,2-trimethyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: Cc1nc(N(C)C)c2c(n1)c1ccccc1o2
STL049561
Synonyms: 2-[({(6Z)-4-amino-6-[(4-methoxyphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-yl}methyl)sulfanyl]ethanol
Smiles: OCCSCc1nc(N)n/c(=N\c2ccc(cc2)OC)/[nH]1
STL049569
Synonyms: 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-methylpyrimidin-4-ol
Smiles: COc1ccc2c(c1)c(C)nc(n2)Nc1nc(C)c(c(n1)O)CC
STL049578
Synonyms: methylN-(prop-2-en-1-ylcarbamoyl)-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)NCC=C
STL049580
Synonyms: 6-methoxy-3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: COc1ccc(cc1)c1onc(n1)c1cc2cc(OC)ccc2[nH]c1=O
STL049588
Synonyms: (5Z)-5-{[5-(morpholin-4-ium-4-yl)furan-2-yl]methylidene}-4,6-dioxo-1-(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: C=CCN1C(=NC(=O)/C(=C/c2ccc(o2)[NH+]2CCOCC2)/C1=O)[S-]
STL049595
Synonyms: 9a-[(E)-2-(3-chlorophenyl)ethenyl]-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Smiles: O=C1CN2C(N1)(/C=C/c1cccc(c1)Cl)C(c1c2ccc(c1)C)(C)C
STL049597
Synonyms: 3-(3-nitrophenyl)-1-(pyridin-2-ylmethoxy)quinoxalin-2(1H)-one4-oxide
Smiles: [O-][N+](=O)c1cccc(c1)c1c(=O)n(OCc2ccccn2)c2c([n+]1[O-])cccc2
STL049600
Synonyms: (5Z)-5-{1-[(3-fluorophenyl)amino]ethylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C(\Nc2cccc(c2)F)/C)/C(=N1)O
STL049619
Synonyms: 2-(4-fluorophenoxy)-N-[(2E)-5-(pyridin-4-yl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: Fc1ccc(cc1)OCC(=O)/N=c/1\[nH]nc(s1)c1ccncc1
STL049625
Synonyms: N-[(3Z)-1-butyl-6-methoxy-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-methoxyacetamide
Smiles: CCCCn1[nH]/c(=N\C(=O)COC)/c2c1nc1ccc(cc1c2)OC
STL049626
Synonyms: 2-[(furan-2-ylmethyl)amino]-6-methyl-5-(3-methylbutyl)pyrimidin-4-ol
Smiles: CC(CCc1c(C)nc(nc1O)NCc1ccco1)C
STL049635
Synonyms: 3-({(1E)-1-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}amino)benzoicacid
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/Nc1cccc(c1)C(=O)O
STL049637
Synonyms: (2E)-2-[(4-methoxyphenyl)imino]-5-nitro-6-(piperidin-1-yl)-2,3-dihydropyrimidin-4-amine
Smiles: COc1ccc(cc1)/N=c\1/nc(N2CCCCC2)c(c([nH]1)N)[N+](=O)[O-]
STL049640
Synonyms: (1S)-1-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine
Smiles: Fc1cccc(c1)CSc1nnc(o1)[C@H](Cc1ccccc1)N
STL049643
Synonyms: 8-[(furan-2-ylmethyl)amino]-6-hydroxy-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(NCc2ccco2)nc2c1c(O)nc(=O)n2C
STL049648
Synonyms: (3-{(Z)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)aceticacid
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cn(c3c2cccc3)CC(=O)O)/C1=O)S
STL049649
Synonyms: 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile
Smiles: N#Cc1nn(c(c1C#N)N)C(=O)c1cccc(c1)[N+](=O)[O-]
STL049654
Synonyms: ethylmethyl4,4'-(3-methyl-6-oxo-2,6-dihydropyrrolo[3,4-c]pyrazole-4,5(4H)-diyl)dibenzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c([nH]n2)C
STL049659
Synonyms: (3s,5s,7s)-N-[(2E)-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2(3H)-ylidene]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: CCOCCc1n[nH]/c(=N\C(=O)C23C[C@@H]4C[C@H](C3)C[C@H](C2)C4)/s1
STL049663
Synonyms: N-[(2Z)-3-[(3-methoxypropyl)amino]quinoxalin-2(1H)-ylidene]-3-methylbenzenesulfonamide
Smiles: COCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)C
STL049671
Synonyms: 2-[4-(4-bromo-2-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Brc1ccc(c(c1)C)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]
STL049672
Synonyms: (5E)-1-(4-methylphenyl)-2,6-dioxo-5-(1-{[2-(piperidinium-1-yl)ethyl]amino}propylidene)-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)[O-])/NCC[NH+]1CCCCC1
STL049673
Synonyms: 2,6-di(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
Smiles: CCCC1C(NC(CC1(C)O)c1ccco1)c1ccco1
STL049692
Synonyms: (1S)-2-(1H-indol-3-yl)-1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
Smiles: CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N
STL049694
Synonyms: (2Z)-2-[(4-fluorophenyl)imino]-7-methyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: CC1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1)F)/nc2
STL049707
Synonyms: (1S)-1-{5-[(2,5-dimethylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-(1H-indol-3-yl)ethanamine
Smiles: Cc1ccc(c(c1)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N)C
STL049708
Synonyms: 2-ethyl-N,N-dimethyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCc1nc(N(C)C)c2c(n1)c1ccccc1o2
STL049713
Synonyms: 2-[4-(2-ethoxyphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: CCOc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]
STL049714
Synonyms: N-[(3Z)-1,8-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-fluorobenzamide
Smiles: Fc1ccccc1C(=O)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C
STL049723
Synonyms: N-[(3E)-1-ethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-4-carboxamide
Smiles: CCn1[nH]/c(=N/C(=O)c2ccncc2)/c2c1nc1ccccc1c2
STL049746
Synonyms: ethyl4-{[(3Z)-3-{[(4-methoxyphenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)OC
STL049752
Synonyms: ethyl[(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Smiles: CCOC(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC
STL049754
Synonyms: 2-bromo-6-methoxy-4-[(E)-{2-[(4-nitro-1H-pyrazol-2-ium-1-yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: COc1cc(/C=N/NC(=O)Cn2[nH+]cc(c2)[N+](=O)[O-])cc(c1[O-])Br
STL049765
Synonyms: 1-[(7-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methyl]guanidine
Smiles: NC(=N)NCC1CCc2c(N1)cc(cc2)C
STL049776
Synonyms: 2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Smiles: COc1cccc(c1)c1nnc(n1CC)SCC(=O)Nc1ccc(c(c1)F)C
STL049777
Synonyms: 3-{[(E)-(1-cycloheptyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]amino}benzoicacid
Smiles: O=C1N=C(O)/C(=C\Nc2cccc(c2)C(=O)O)/C(=O)N1C1CCCCCC1
STL049782
Synonyms: (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-hydroxy-5-[(2-phenylhydrazinyl)methylidene]pyrimidine-4,6(1H,5H)-dione
Smiles: OC1=NC(=O)/C(=C\NNc2ccccc2)/C(=O)N1CCC1=CCCCC1
STL049788
Synonyms: 3-chloro-N-[(4E)-2-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]aniline
Smiles: CCc1[nH]/c(=N/c2cccc(c2)Cl)/c2c(n1)c1ccccc1o2
STL049789
Synonyms: 3-[(3E)-3-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]benzoicacid
Smiles: COc1ccccc1C1/C(=C(/C=C/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O
STL049800
Synonyms: (2E)-2-[(2E)-(4-bromobenzylidene)hydrazinylidene]-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
Smiles: Brc1ccc(cc1)/C=N/N=c/1\[nH]c2ccccc2c(=O)n1O
STL049801
Synonyms: [1-(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl](diphenyl)methanol
Smiles: Cc1nc(N2CCC(CC2)C(c2ccccc2)(c2ccccc2)O)c2c(n1)c1ccccc1o2
STL049802
Synonyms: 4-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(N1CCN(CC1)CCc1ccccc1)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F
STL049804
Synonyms: {(5E)-4-oxo-5-[4-(piperidinium-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetate
Smiles: [O-]C(=O)CN1C(=S)S/C(=C/c2ccc(cc2)[NH+]2CCCCC2)/C1=O
STL049806
Synonyms: (6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyltetrahydrofuran-2-carboxylate
Smiles: O=C(C1CCCO1)OCc1cc2cc(C)ccc2[nH]c1=O
STL049825
Synonyms: 4-(4-methoxyphenyl)-N-[3-(morpholin-4-yl)propyl]tetrahydro-2H-pyran-4-carboxamide
Smiles: COc1ccc(cc1)C1(CCOCC1)C(=O)NCCCN1CCOCC1
STL049827
Synonyms: 3,4-dimethyl-N-[(2Z)-3-{[3-(trifluoromethyl)phenyl]amino}quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Cc1cc(ccc1C)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(F)(F)F
STL049830
Synonyms: 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-methylquinolin-2(1H)-one
Smiles: CCc1onc(n1)c1cc2cccc(c2[nH]c1=O)C
STL049848
Synonyms: (8aR)-7-[2-(3-fluorophenyl)ethyl]tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Smiles: Fc1cccc(c1)CCN1CC(=O)N2[C@H](C1=O)CSC2
STL049853
Synonyms: (2Z)-3-(4-chlorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Clc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C
STL049854
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2-chloro-4-nitrophenyl)-5,7-dimethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)[N+](=O)[O-]
STL049865
Synonyms: 1-(4-hydroxy-1H-1,5-benzodiazepin-2-yl)propan-2-one
Smiles: CC(=O)CC1=CC(=Nc2c(N1)cccc2)O
STL049866
Synonyms: [1-(2-amino-2-oxoethyl)cyclohexyl]aceticacid
Smiles: NC(=O)CC1(CCCCC1)CC(=O)O
STL049868
Synonyms: N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NCCc1ccccc1F)C
STL049871
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCc1c(C)[nH]c(=O)[nH]c1=O)N)C
STL049873
Synonyms: (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-5-[(piperidinium-1-ylamino)methylidene]-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C/N[NH+]2CCCCC2)/C1=O)[O-]
STL049877
Synonyms: 3-(4-fluorophenyl)-1-{2-[(3-methylphenyl)amino]-2-oxoethyl}-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccc(cc1)F)Nc1cccc(c1)C
STL049879
Synonyms: 3-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)c1[nH]nc2c1C(c1ccccc1)N(C2=O)c1ccccc1
STL049897
Synonyms: N'-{(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene}-2-(4-nitro-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1ncc(c1)[N+](=O)[O-])N/N=C/c1ccc(o1)c1cccc(c1C)[N+](=O)[O-]
STL049908
Synonyms: (4-{(Z)-[2-(2-cyclohexylethyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenoxy)acetate
Smiles: [O-]C(=O)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=[NH2+])nc(s2)CCC1CCCCC1
STL049910
Synonyms: 6-[(2,6-dichlorobenzyl)sulfanyl]-7H-purin-2-amine
Smiles: Nc1nc(SCc2c(Cl)cccc2Cl)c2c(n1)nc[nH]2
STL049918
Synonyms: 2-[4-(4-chloro-3-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(c(c2)C)Cl)c2c([nH+]1)cccc2
STL049925
Synonyms: 3-(3-methoxyphenyl)-6,7-diphenyl-4,8-dihydroimidazo[2,1-c][1,2,4]triazine
Smiles: COc1cccc(c1)C1=NN=c2n(C1)c(c1ccccc1)c([nH]2)c1ccccc1
STL049928
Synonyms: (4Z)-6-{[cyclohexyl(methyl)amino]methyl}-4-[(2-methoxyphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN(C1CCCCC1)C
STL049929
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-ethoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: CCOc1ccccc1C1SCC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)O
STL049931
Synonyms: 2-methyl-6-({6-methyl-2-[(6-oxo-1,6-dihydropyridazin-3-yl)oxy]pyrimidin-4-yl}oxy)pyridazin-3(2H)-one
Smiles: Cc1cc(nc(n1)Oc1ccc(=O)[nH]n1)Oc1ccc(=O)n(n1)C
STL049932
Synonyms: 2-(4-chlorophenoxy)-N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: Clc1ccc(cc1)OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1
STL049937
Synonyms: 1-[(2E)-4-(2-bromophenyl)-1,3-thiazol-2(3H)-ylidene]-3-phenylurea
Smiles: O=C(/N=c\1/scc([nH]1)c1ccccc1Br)Nc1ccccc1
STL049942
Synonyms: 8-[4-(diphenylmethyl)piperazin-1-yl]-2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CSc1nc(N2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1
STL049967
Synonyms: (5E)-1-(4-methylphenyl)-2,6-dioxo-5-{1-[(pyridinium-3-ylmethyl)amino]propylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)[O-])/NCc1ccc[nH+]c1
STL049968
Synonyms: N-[(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=c/1\[nH]nc(s1)c1ccc(c(c1)OC)OC
STL049974
Synonyms: 7-[(2Z)-3-chlorobut-2-en-1-yl]-6-hydroxy-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: C/C(=C/Cn1c(NCCCn2cncc2)nc2c1c(O)nc(=O)n2C)/Cl
STL049984
Synonyms: N-[(2E)-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2,2-dimethylpropanamide
Smiles: O=C(C(C)(C)C)/N=c/1\[nH]nc(s1)COc1ccc(cc1)F
STL049986
Synonyms: (5E)-5-({[3-chloro-4-(morpholin-4-yl)phenyl]amino}methylidene)-3-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\Nc2ccc(c(c2)Cl)N2CCOCC2)/C1=O)O
STL049987
Synonyms: N-[(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]pentanamide
Smiles: CCCCC(=O)/N=c/1\[nH]nc(s1)c1ccc(c(c1)OC)OC
STL049989
Synonyms: 4-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1
STL049992
Synonyms: (5E)-1-(4-methoxyphenyl)-2,6-dioxo-5-{1-[(pyridinium-3-ylmethyl)amino]propylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)[O-])/NCc1ccc[nH+]c1
STL049995
Synonyms: 4-(2-methylpiperidin-1-yl)[1]benzofuro[3,2-d]pyrimidine
Smiles: CC1CCCCN1c1ncnc2c1oc1c2cccc1
STL049997
Synonyms: 4-[(2-{2-[(Z)-{4-hydroxy-2,6-dioxo-1-[4-(propan-2-yl)phenyl]-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]-1H-indol-3-yl}ethyl)amino]-4-oxobutanoicacid
Smiles: O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)c2ccc(cc2)C(C)C)O)[nH]c2c1cccc2
STL050010
Synonyms: N-(4-nitrophenyl)-2,3-dihydro-1H-indole-1-carboxamide
Smiles: O=C(N1CCc2c1cccc2)Nc1ccc(cc1)[N+](=O)[O-]
STL050017
Synonyms: methylN-[(3-chloro-4-fluorophenyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccc(c(c1)Cl)F
STL050023
Synonyms: 2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-3-[4-(propoxycarbonyl)phenoxy]-4H-chromen-7-olate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCOCC1)[O-]
STL050026
Synonyms: 6-methoxy-3-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)c1noc(n1)c1cccc(c1)[N+](=O)[O-]
STL050027
Synonyms: (3S,3a'R,8a'S,8b'S)-6-chloro-2'-(2-methoxy-5-nitrophenyl)-7-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1ccc(c2C)Cl)[N+](=O)[O-]
STL050037
Synonyms: (4Z)-6-[(4-benzylpiperidin-1-yl)methyl]-4-[(2-methoxyphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CCC(CC1)Cc1ccccc1
STL050051
Synonyms: 2-[4-(2,4-dichlorophenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Clc1ccc(c(c1)Cl)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]
STL050052
Synonyms: ethyl5'-[(N,N-diethylglycyl)amino]-2,3'-bithiophene-4'-carboxylate
Smiles: CCOC(=O)c1c(scc1c1cccs1)NC(=O)CN(CC)CC
STL050058
Synonyms: 1-{2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: COc1cc(OC)ccc1NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)C
STL050062
Synonyms: 8-[(2Z)-2-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC1=NC(=O)/C(=N\Nc2nc3c(n2Cc2ccc(cc2)C)c(=O)n(c(=O)n3C)C)/C(=N1)O
STL050072
Synonyms: 3-(4-methoxyphenyl)-1-{2-oxo-2-[phenyl(propan-2-yl)amino]ethyl}-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)N(c1ccccc1)C(C)C
STL050081
Synonyms: 4-{[4-(3-chlorophenyl)piperazin-4-ium-1-yl]carbonothioyl}phenolate
Smiles: [O-]c1ccc(cc1)C(=S)N1CC[NH+](CC1)c1cccc(c1)Cl
STL050082
Synonyms: 6-amino-4-(2-fluorophenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1F)c([nH]n2)c1cccc(c1)OC
STL050084
Synonyms: (2Z)-7-(4-chlorophenyl)-2-[(4-methoxyphenyl)imino]-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)Cl
STL050091
Synonyms: 6-hydroxy-8-[(3-hydroxypropyl)amino]-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-2H-purin-2-one
Smiles: OCCCNc1nc2c(n1CC(=O)c1ccccc1)c(O)nc(=O)n2C
STL050092
Synonyms: (5E)-1-cyclopropyl-5-{[(furan-2-ylmethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NCc1ccco1)C1CC1
STL050102
Synonyms:
Smiles: Clc1ccc(cc1C(F)(F)F)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2
STL050112
Synonyms: (5E)-1-(3,5-dimethylphenyl)-2-hydroxy-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}pyrimidine-4,6(1H,5H)-dione
Smiles: Cc1cc(C)cc(c1)N1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)C(C)C)/C1=O)O