FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STL036723
Synonyms: N-(but-2-yn-1-yl)-N,N-dimethyloctan-1-aminium
Smiles: CCCCCCCC[N+](CC#CC)(C)C

STL036725
Synonyms: 3-(3,4-dimethylphenyl)-3-hydroxy-1-methyl-2-methylidene-1-azoniabicyclo[2.2.2]octane
Smiles: Cc1ccc(cc1C)C1(O)C2CC[N+](C1=C)(CC2)C

STL036727
Synonyms: N,N,N-trimethyl(2-oxocyclohexyl)methanaminium
Smiles: O=C1CCCCC1C[N+](C)(C)C

STL036731
Synonyms: methyl4-{[2-(pyridin-4-yl)quinazolin-4-yl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccncc1

STL036733
Synonyms: 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
Smiles: Cc1cccc(c1)N1C(=O)NC2(C1=O)CCCCC2

STL036735
Synonyms: N-(3-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
Smiles: O=C(Nc1cccc(c1)Cl)CCN1CCN(CC1)c1cccc(c1)Cl

STL036736
Synonyms: hydroxy[3-(hydroxyamino)-3-methylbutan-2-yl]ammonium
Smiles: O[NH2+]C(C(NO)(C)C)C

STL036739
Synonyms: 3-[(2-hydroxyethyl)amino]-5-methylphenazin-5-ium
Smiles: OCCNc1ccc2c(c1)[n+](C)c1c(n2)cccc1

STL036740
Synonyms: 1,3-dimethyl-2,6-dioxo-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: O=C1OC(c2c1cccc2)c1c([O-])n(C)c(=O)n(c1=O)C

STL036741
Synonyms: 2-(ethylsulfanyl)-6-oxo-3-phenyl-3,6-dihydropyrimidin-4-olate
Smiles: CCSc1nc(=O)cc(n1c1ccccc1)[O-]

STL036744
Synonyms: 4-[(5-ethyl-2-hydroxy-4,6-dioxo-5-phenyl-5,6-dihydropyrimidin-1(4H)-yl)methyl]morpholin-4-ium
Smiles: CCC1(c2ccccc2)C(=O)N=C(N(C1=O)C[NH+]1CCOCC1)O

STL036745
Synonyms: 5-(4-hydroxyphthalazin-1-yl)-2-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)N)c1nnc(c2c1cccc2)O

STL036753
Synonyms: (5Z)-3-(3-chlorophenyl)-6-hydroxy-5-[(5-methylfuran-2-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=O)N=C(/C(=C/c2ccc(o2)C)/C1=O)O

STL036758
Synonyms: 7-butyl-8-[(furan-2-ylmethyl)amino]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCn1c(NCc2ccco2)nc2c1c(O)nc(=O)n2C

STL036762
Synonyms: 4-(3-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolinium-6-carboxylate
Smiles: Brc1cccc(c1)C1[NH2+]c2c(C3C1CC(C3Cl)Sc1ccccc1[N+](=O)[O-])cccc2C(=O)[O-]

STL036776
Synonyms: methyl6,7-dichloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate1,4-dioxide
Smiles: COC(=O)C1=[N+]([O-])c2c([N+](C1=O)[O-])cc(c(c2)Cl)Cl

STL036778
Synonyms: (1E)-2-ethyl-1-[(4-fluorophenyl)imino]-3-methyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(/c/1=N/c1ccc(cc1)F)c1ccccc1[nH]2

STL036781
Synonyms: 2-[(E)-(2-{[4-(4-methylbenzyl)piperazin-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)Cc1ccc(cc1)C

STL036791
Synonyms: (2E)-2-{[(2,4-dichlorophenyl)carbonyl]amino}-3-[4-(dimethylammonio)phenyl]prop-2-enoate
Smiles: Clc1ccc(c(c1)Cl)C(=O)N/C(=C/c1ccc(cc1)[NH+](C)C)/C(=O)[O-]

STL036803
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-6-hydroxy-3-methyl-7-propyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCn1c(NCCN(CC)CC)nc2c1c(O)nc(=O)n2C

STL036806
Synonyms: 1-[N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-ethylurea
Smiles: CCNC(=O)N/C(=N\c1cc(OC)c(cc1OC)Cl)/Nc1nc(C)cc(n1)C

STL036817
Synonyms: (5Z)-1-(4-chlorophenyl)-2-hydroxy-5-(1H-indol-3-ylmethylidene)pyrimidine-4,6(1H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=NC(=O)/C(=C/c2c[nH]c3c2cccc3)/C1=O)O

STL036818
Synonyms: 2-(4-{[(1Z)-4-methylphthalazin-1(2H)-ylidene]amino}phenyl)acetamide
Smiles: NC(=O)Cc1ccc(cc1)/N=c/1\[nH]nc(c2c1cccc2)C

STL036823
Synonyms: 1-ethyl-2-hydroxy-4-oxo-N'-[(E)-pyridin-4-ylmethylidene]-1,4-dihydroquinoline-3-carbohydrazide
Smiles: CCn1c(O)c(C(=O)N/N=C/c2ccncc2)c(=O)c2c1cccc2

STL036833
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-6-hydroxy-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(NCCN(C)C)nc2c1c(O)nc(=O)n2C)COc1ccccc1C

STL036842
Synonyms: dimethyl5-[({(2E)-4-hydroxy-2-[(4-methoxyphenyl)imino]-5,6-dihydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzene-1,3-dicarboxylate
Smiles: COc1ccc(cc1)/N=C/1\N=C(O)CC(S1)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC

STL036849
Synonyms: butyl4-{[(2,4-dihydroxy-5,6,7,8-tetrahydroquinolin-3-yl)carbonyl]amino}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=O)c1c(O)nc2c(c1O)CCCC2

STL036859
Synonyms: N-[(2Z)-4,6-dimethylpyrimidin-2(1H)-ylidene]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine
Smiles: Cc1cc(C)[nH]/c(=N/C2=NC3C(N2)CCCC3)/n1

STL036863
Synonyms: 7-hydroxy-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
Smiles: Cc1n[nH]/c(=N\C(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)/s1

STL036867
Synonyms: 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoicacid
Smiles: OC(=O)CCc1c(C)nc(nc1O)S

STL036873
Synonyms: 2,4-dichloro-6-{[(1-propyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCCn1c(NCc2cc(Cl)cc(c2[O-])Cl)[nH+]c2c1cccc2

STL036886
Synonyms: methyl(2Z)-[(2Z)-4-hydroxy-2-{[(4-methoxyphenyl)carbonyl]imino}-1,3-thiazol-5(2H)-ylidene]ethanoate
Smiles: COC(=O)/C=C/1\S/C(=N\C(=O)c2ccc(cc2)OC)/N=C1O

STL036891
Synonyms: 4-[1-hydroxy-3,3-dimethyl-10-(phenylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile
Smiles: N#Cc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)(C)C

STL036894
Synonyms: (E)-[1-(furan-2-ylmethyl)-4,5-dioxo-2-(pyridinium-3-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1Cc1ccco1)c1ccc[nH+]c1

STL036896
Synonyms: (E)-[4,5-dioxo-2-(4-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methylphenyl)methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STL036904
Synonyms: N-[2-{(2E)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)ethyl]benzamide
Smiles: O=C(C(c1n[nH]c(=O)c2c1cccc2)NC(=O)c1ccccc1)N/N=C/c1cn(nc1C)C

STL036907
Synonyms: (E)-{2-(2-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CCCn1cc[nH+]c1)/[O-]

STL036913
Synonyms: (5E)-1-(2-methylphenyl)-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)c1ccccc1C

STL036914
Synonyms: 2-(3-methylbutyl)-1,2,4-triazaspiro[4.5]dec-3-ene-3-thiol
Smiles: CC(CCN1NC2(N=C1S)CCCCC2)C

STL036924
Synonyms: 2-methoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)phenolate
Smiles: COc1cc(ccc1[O-])C1NC(=O)c2c(N1)sc1c2CC[NH+](C1)C

STL036932
Synonyms: 7-(2,4-dichlorophenyl)-5-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)C1C=C(N=c2n1nn[nH]2)c1ccccc1

STL036937
Synonyms: 3-{[(2E)-6-methyl-4-phenylquinazolin-2(3H)-ylidene]amino}benzoicacid
Smiles: Cc1ccc2c(c1)c([nH]/c(=N\c1cccc(c1)C(=O)O)/n2)c1ccccc1

STL036944
Synonyms: N-(1-hydroxy-2-methylpropan-2-yl)-5-(4-hydroxyphthalazin-1-yl)-2-methylbenzenesulfonamide
Smiles: OCC(NS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)O)(C)C

STL036949
Synonyms: (E)-[4,5-dioxo-2-(4-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-fluorophenyl)methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STL036960
Synonyms: 6-(ethylsulfonyl)-3-[(Z)-2-hydroxy-2-phenylethenyl]-2H-1,4-benzoxazin-2-one
Smiles: CCS(=O)(=O)c1ccc2c(c1)nc(c(=O)o2)/C=C(/c1ccccc1)\O

STL036965
Synonyms: ethyl2-cyano-3-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-3-(pyridin-3-yl)propanoate
Smiles: CCOC(=O)C(C(c1c(C)[nH][nH]c1=O)c1cccnc1)C#N

STL036991
Synonyms: N-[2-(2-{(Z)-[4-hydroxy-1-(3-methylphenyl)-2,6-dioxo-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)c2cccc(c2)C)O)[nH]c2c1cccc2

STL037011
Synonyms: 4-{(3E)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzenesulfonamide
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(cc1)S(=O)(=O)N

STL037017
Synonyms: (E)-(2-methylimidazo[1,2-a]pyridin-3-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2c(C)nc3n2cccc3)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccccc1

STL037022
Synonyms: ethyl4-{[(4E)-1-methyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=c\1/nc[nH]c2c1cnn2C

STL037024
Synonyms: (5Z)-1-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN1C(=NC(=O)/C(=C/c2cccn2C)/C1=O)S

STL037044
Synonyms: 5-amino-1-(4-hydroxy-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
Smiles: N#Cc1cnn(c1N)c1nc(O)c2c(n1)sc1c2CC(OC1)(C)C

STL037046
Synonyms: 1-benzyl-2-hydroxy-N-(3-methylpyridin-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: Cc1cccnc1NC(=O)c1c(=O)c2ccccc2n(c1O)Cc1ccccc1

STL037079
Synonyms: 3-{(3E)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}benzoicacid
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1cccc(c1)C(=O)O)/O

STL037094
Synonyms: (E)-[2-(4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)Cc1ccc[nH+]c1)/[O-])C

STL037095
Synonyms: 5-bromo-2-hydroxy-1-[(4-propoxyphenyl)sulfonyl]pyrimidin-4(1H)-one
Smiles: CCCOc1ccc(cc1)S(=O)(=O)n1cc(Br)c(=O)nc1O

STL037096
Synonyms: 1-[(2E)-5-benzyl-4-hydroxy-6-methylpyrimidin-2(1H)-ylidene]-3-(3-chloro-2-methylphenyl)guanidine
Smiles: N=C(Nc1cccc(c1C)Cl)/N=c\1/nc(O)c(c([nH]1)C)Cc1ccccc1

STL037097
Synonyms: N-[2-(2-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]propanamide
Smiles: C=CCN1C(=NC(=O)/C(=C/c2[nH]c3c(c2CCNC(=O)CC)cccc3)/C1=O)S

STL037103
Synonyms: 5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazolin]-2'-amine
Smiles: Nc1[nH]c2=NC3=C(C4(n2n1)CCCCC4)CCCC3

STL037105
Synonyms: 2-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]-4-bromophenolate
Smiles: Brc1ccc(c(c1)CNc1[nH]c2c([nH+]1)cccc2)[O-]

STL037123
Synonyms: 1-(prop-1-en-2-yl)-1H-benzimidazol-2-ol
Smiles: CC(=C)n1c(O)nc2c1cccc2

STL037135
Synonyms: 7-(2,4-dichlorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)C1C=C(N=c2n1nc[nH]2)c1ccccc1

STL037151
Synonyms: 2-amino-5-hydroxy-7-methyl-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc(OC)c(cc1OC)OC)c(O)nc(c2)C

STL037164
Synonyms: N-cyclohexyl-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-2-carboxamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1ccccn1)C1CCCCC1

STL037169
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide
Smiles: Cc1cccc(c1)N(C(=O)c1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O

STL037174
Synonyms: (E)-1-benzofuran-2-yl{1-[2-(diethylammonio)ethyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCN1C(c2ccc(cc2)F)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)CC

STL037183
Synonyms: (4E)-5-(4-bromophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(NC(=O)C1=O)c1ccc(cc1)Br)/O

STL037189
Synonyms: 6-chloro-10-(2,4-dimethylphenyl)-4-hydroxypyrimido[4,5-b]quinolin-2(10H)-one
Smiles: Cc1ccc(c(c1)C)n1c2cccc(c2cc2c1nc(=O)nc2O)Cl

STL037202
Synonyms: 3-[(5-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
Smiles: CCc1c(O)nc([nH]c1=O)SC1CC(=O)N(C1=O)c1ccccc1

STL037203
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-N-(propan-2-yl)-1,2-dihydroquinoline-4-carboxamide
Smiles: O=c1[nH]c2ccccc2c(c1)C(=O)N(c1c(=O)n(n(c1C)C)c1ccccc1)C(C)C

STL037204
Synonyms: 3-hydroxy-4-[(E)-{2-[(1-methyl-1H-indolium-3-yl)carbonyl]hydrazinylidene}methyl]phenolate
Smiles: [O-]c1ccc(c(c1)O)/C=N/NC(=O)C1=C[NH+](c2c1cccc2)C

STL037209
Synonyms: (5Z)-1-acetyl-5-[(2-hydroxy-8-methylquinolin-3-yl)methylidene]-2-sulfanyl-1,5-dihydro-4H-imidazol-4-one
Smiles: CC(=O)N1C(=NC(=O)/C/1=C/c1cc2cccc(c2nc1O)C)S

STL037212
Synonyms: 6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(propan-2-yl)-4H-chromen-7-olate
Smiles: CCc1cc2c(c(c1[O-])C[NH+]1CCN(CC1)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C(C)C

STL037213
Synonyms: (3Z)-3-[(2E)-(2-oxo-2,3-dihydropyrimidin-4(1H)-ylidene)hydrazinylidene]-1,3-dihydro-2H-indol-2-one
Smiles: O=C1Nc2c(/C/1=N/N=c/1\cc[nH]c(=O)[nH]1)cccc2

STL037219
Synonyms: 3-{[(1E)-4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1(2H)-ylidene]amino}phenol
Smiles: Oc1cccc(c1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)C

STL037224
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: OCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(c(c1)OC)O

STL037228
Synonyms: 2-[(Z)-2-(1H-3,1-benzimidazol-3-ium-2-yl)-1-hydroxyethenyl]-4-chloro-5-hydroxyphenolate
Smiles: [O-]c1cc(O)c(cc1/C(=C/c1[nH]c2c([nH+]1)cccc2)/O)Cl

STL037251
Synonyms: 2-[6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-2-oxo-2,3-dihydro-7H-purin-7-yl]acetamide
Smiles: CN1CCN(CC1)c1nc2c(n1CC(=O)N)c(O)nc(=O)n2C

STL037260
Synonyms: 2,4-dihydroxy-N-(3-methylphenyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1c(O)nc2c(c1O)CCCC2

STL037261
Synonyms: 2-(1,3-benzoxazol-2-ylamino)-5,6-dimethylpyrimidin-4(3H)-one
Smiles: Cc1nc(Nc2nc3c(o2)cccc3)[nH]c(=O)c1C

STL037269
Synonyms: 3-[(Z)-2-(4-bromophenyl)-2-hydroxyethenyl]-2H-1,4-benzoxazin-2-one
Smiles: Brc1ccc(cc1)/C(=C/c1nc2ccccc2oc1=O)/O

STL037270
Synonyms: 5-[(1E)-1-(2-methyl-2-phenylhydrazinylidene)ethyl]pyrimidine-2,4,6-triol
Smiles: Oc1nc(O)c(c(n1)O)/C(=N/N(c1ccccc1)C)/C

STL037274
Synonyms: (5E)-1-(butan-2-yl)-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCC(N1C(=NC(=O)/C(=C\NCCCN2CCOCC2)/C1=O)S)C

STL037291
Synonyms: (5Z)-5-({[3-(dimethylamino)propyl]amino}methylidene)-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CN(CCCN/C=C\1/C(=NC(=O)N(C1=O)Cc1ccco1)O)C

STL037295
Synonyms: (E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1c1sc2c([nH+]1)cccc2

STL037304
Synonyms: 8-(cyclohexylamino)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCc1ccc(cc1)OCC(Cn1c(NC2CCCCC2)nc2c1c(O)nc(=O)n2C)O

STL037305
Synonyms: methyl(2E)-2-{(2E)-[4-(dimethylamino)benzylidene]hydrazinylidene}-4-hydroxy-2H-1,3-thiazine-6-carboxylate
Smiles: COC(=O)c1cc(O)n/c(=N\N=C\c2ccc(cc2)N(C)C)/s1

STL037313
Synonyms: 7,7,8a-trimethyl-2,3,8,8a-tetrahydro-7H-[1,3]oxazolo[3,2-c]pyrimidine-5-thiol
Smiles: SC1=NC(C)(C)CC2(N1CCO2)C

STL037340
Synonyms: 1-(4-chlorophenyl)-3-[(2Z)-5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: COc1ccc(cc1)OCc1n[nH]/c(=N/C(=O)Nc2ccc(cc2)Cl)/s1

STL037346
Synonyms: 2-methoxy-4-[5-oxo-1-phenyl-4-(phenylammonio)-2,5-dihydro-1H-pyrrol-2-yl]phenolate
Smiles: COc1cc(ccc1[O-])C1C=C(C(=O)N1c1ccccc1)[NH2+]c1ccccc1

STL037349
Synonyms: N-{(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}methionine
Smiles: CSCCC(C(=O)O)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)F)O

STL037354
Synonyms: (5E)-1-cyclohexyl-5-({[3-(dimethylamino)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN(CCCN/C=C/1\C(=O)N=C(N(C1=O)C1CCCCC1)S)C

STL037368
Synonyms: (6Z)-6-{(2E)-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]hydrazinylidene}-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: COc1ccccc1/C=C/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2

STL037369
Synonyms: 4-[(E)-{2-[(1H-3,1-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2[nH]c3c([nH+]2)cccc3)ccc1[O-]

STL037383
Synonyms: {(3Z)-3-[(2E)-2-[(2,3-dimethylphenyl)imino]-4-hydroxy-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(c3C)C)/N=C2O)/C1=O

STL037389
Synonyms: (E)-(4-fluorophenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
Smiles: Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nccc[nH+]1)/[O-]

STL037392
Synonyms: 6,6-dimethyl-9-(naphthalen-1-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2cccc4c2cccc4)ncn3)CC(C1)(C)C

STL037394
Synonyms: (5E)-3-(3-chlorophenyl)-6-hydroxy-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=O)N=C(/C(=C\NCCN2CCOCC2)/C1=O)O

STL037395
Synonyms: 2-bromo-6-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)cc(c1[O-])Br

STL037407
Synonyms: 2-hydroxy-3-{[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2nc(n(c1=O)/N=C/c1cccc(c1O)OC)O

STL037444
Synonyms: (E)-[4,5-dioxo-2-(3-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STL037451
Synonyms: N-tert-butyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-4-carboxamide
Smiles: O=C(N(C(C)(C)C)Cc1cc2ccccc2[nH]c1=O)c1ccncc1

STL037462
Synonyms: N-tert-butyl-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-3-carboxamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(C)(C)C)C(=O)c1cccnc1

STL037463
Synonyms: methyl4-{[(7E)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-ylidene]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)/N=c/1\cc(C)[nH]c2n1ncn2

STL037474
Synonyms: N-cyclohexyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: CC(=O)N(C1CCCCC1)Cc1cc2ccccc2[nH]c1=O

STL037481
Synonyms: methyl6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-hydroxy-4-(4-methylphenyl)-3,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)N)O

STL037486
Synonyms: (5E)-5-[(5-nitrofuran-2-yl)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/c1ccc(o1)[N+](=O)[O-])c1ccccc1

STL037488
Synonyms: N-(7-oxo-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
Smiles: CCC(=O)Nc1nn2c([nH]1)nc(cc2=O)c1ccccc1

STL037496
Synonyms: 7-amino-4,8-dimethylquinolin-2-ol
Smiles: Oc1cc(C)c2c(n1)c(C)c(cc2)N

STL037497
Synonyms: 1,5-bis[4-(trifluoromethyl)phenyl]-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithiol
Smiles: FC(c1ccc(cc1)C1N=C(N2N1C(=NC2c1ccc(cc1)C(F)(F)F)S)S)(F)F

STL037508
Synonyms: 7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)C1=CC(c2ccc(cc2)Cl)n2c(=N1)[nH]cn2

STL037510
Synonyms: N-tert-butyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]butanamide
Smiles: CCCC(=O)N(C(C)(C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STL037517
Synonyms: 7-(2-chlorophenyl)-5-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(c2ccccc2Cl)n2c(=N1)[nH]cn2

STL037529
Synonyms: 4-(4-fluorophenyl)-7-hydroxy-1-(pentan-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)F)CC

STL037531
Synonyms: (6Z)-6-[(2E)-(4-propoxybenzylidene)hydrazinylidene]-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: CCCOc1ccc(cc1)/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2

STL037551
Synonyms: 1-(4-ethoxyphenyl)-3-[(2Z)-6-methyl-4-(trifluoromethyl)pyrimidin-2(1H)-ylidene]guanidine
Smiles: CCOc1ccc(cc1)NC(=N)/N=c/1\nc(cc([nH]1)C)C(F)(F)F

STL037555
Synonyms: N-(4-ethoxyphenyl)-3-methoxy-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCOc1ccc(cc1)N(C(=O)c1cccc(c1)OC)Cc1cc2cc(C)ccc2[nH]c1=O

STL037559
Synonyms: 4-[(5-bromo-2-hydroxybenzyl)amino]-N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]benzenesulfonamide
Smiles: CCc1n[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NCc2cc(Br)ccc2O)/s1

STL037562
Synonyms: 2-methyl-3-propylpyrimido[1,2-a]benzimidazol-4(10H)-one
Smiles: CCCc1c(C)nc2n(c1=O)c1ccccc1[nH]2

STL037567
Synonyms: (E)-[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: COc1ccccc1C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1c1cccc[nH+]1

STL037570
Synonyms: 5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4H-pyrazol-3-ol
Smiles: Cc1nnc(s1)SCC1=NN=C(C1)O

STL037581
Synonyms: (E)-(4-methoxyphenyl)[2-(naphthalen-1-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc2c1cccc2)Cc1ccc[nH+]c1)/[O-]

STL037589
Synonyms: 4-methoxy-N'-[(1E)-1-(2,4,6-trihydroxypyrimidin-5-yl)ethylidene]benzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C(/c1c(O)nc(nc1O)O)\C

STL037593
Synonyms: 2-{4-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl}phenolate
Smiles: CCOc1ccc(cc1)N1C(=O)CC(C1=O)[NH+]1CCN(CC1)c1ccccc1[O-]

STL037613
Synonyms: 2,4-dibromo-6-{[(1-methyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: Brc1cc(CNc2[nH+]c3c(n2C)cccc3)c(c(c1)Br)[O-]

STL037615
Synonyms: 5-(4-bromophenyl)-7-(thiophen-2-yl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine
Smiles: Brc1ccc(cc1)C1C=C(N=c2n1cn[nH]2)c1cccs1

STL037622
Synonyms: 7-benzyl-4-hydroxy-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: O=c1nc(O)c2c(n1c1ccccc1)NC(=NC2(C(F)(F)F)C(F)(F)F)Cc1ccccc1

STL037625
Synonyms: 8-tert-butyl-4-(4-methylphenyl)-1-thioxo-2,4,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CCC(Cc3sc2n2c1n[nH]c2=S)C(C)(C)C

STL037639
Synonyms: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(4-chlorophenyl)-4,6-dihydroxypyrimidin-2(1H)-one
Smiles: Clc1ccc(cc1)n1c(=O)nc(c(c1O)C1N(CCc2c1cccc2)C(=O)C)O

STL037641
Synonyms: (2E)-N-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)-3-(furan-2-yl)prop-2-enamide
Smiles: O=C(CNC(=O)/C=C/c1ccco1)NCCc1nc2c([nH]1)cccc2

STL037661
Synonyms: 6-(2-aminophenyl)-3-sulfanyl-1,2,4-triazin-5-ol
Smiles: Sc1nnc(c(n1)O)c1ccccc1N

STL037663
Synonyms: (5E)-2,6-dihydroxy-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}pyrimidin-4(5H)-one
Smiles: COc1ccc(cc1c1ccc(o1)/C=C/1\C(=NC(=NC1=O)O)O)[N+](=O)[O-]

STL037664
Synonyms: [5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl](4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1cn[nH]c1c1ccc(cc1O)C

STL037682
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-6-hydroxy-3-(3-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C/c2nc3c([nH]2)cccc3)/C1=O)O

STL037692
Synonyms: 1-cycloheptyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2n([nH]c(=O)c2C(SC1)c1ccc(cc1)C)C1CCCCCC1

STL037693
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(thiophen-2-yl)pyrrolidin-3-ylidene](3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)Cc1ccc[nH+]c1)/[O-]

STL037704
Synonyms: (E)-[2-(4-methoxyphenyl)-1-(6-methylpyridinium-2-yl)-4,5-dioxopyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: COc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1c1cccc([nH+]1)C

STL037709
Synonyms: (E)-(4-bromophenyl){2-(2,5-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C)OC

STL037719
Synonyms: (5Z)-5-[(2-hydroxy-8-methylquinolin-3-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
Smiles: Cc1cccc2c1nc(O)c(c2)/C=C/1\SC(=NC1=O)S

STL037725
Synonyms: 2-hydroxy-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-9-ium-2(3H)-ylidene)methyl]phenolate
Smiles: [O-]c1ccc(cc1O)/C=c/1\sc2n(c1=O)c1c([nH+]2)cccc1

STL037731
Synonyms: 4-oxo-4-[4-(4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]butanoate
Smiles: [O-]C(=O)CCC(=O)N1CC[NH+](CC1)c1nc2ccccc2c(n1)c1ccccc1

STL037739
Synonyms: 3-[(6-methyl-4-phenylquinazolin-2-yl)ammonio]propanoate
Smiles: [O-]C(=O)CC[NH2+]c1nc2ccc(cc2c(n1)c1ccccc1)C

STL037750
Synonyms: 4-{[(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/c1ccc(cc1)C(=O)O

STL037752
Synonyms: (E)-(4-chlorophenyl)[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene]methanolate
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-]

STL037768
Synonyms: 2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[(2E)-5-methyl-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: Cc1ccc(cc1)OCc1nnc(o1)SCC(=O)/N=c\1/sc(c([nH]1)c1ccccc1)C

STL037774
Synonyms: 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccco1)N1CCN(CC1)Cc1nc2c([nH]1)n(C)c(=O)n(c2=O)C

STL037791
Synonyms: 2-(ethylsulfanyl)-6-hydroxy-4-(3-nitrophenyl)-4,5-dihydropyridine-3-carbonitrile
Smiles: CCSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)[N+](=O)[O-]

STL037798
Synonyms: (5E)-6-hydroxy-5-[(1-phenyl-1H-pyrazol-4-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1NC(=O)/C(=C/c2cnn(c2)c2ccccc2)/C(=N1)O

STL037805
Synonyms: (5Z)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1cn[nH]c1c1ccccc1)N1CCCCC1

STL037807
Synonyms: 6,6-dimethyl-9-(2-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccc2C)ncn3)CC(C1)(C)C

STL037808
Synonyms: 3-{[(4-ethoxyphenyl)amino]methyl}quinolin-2(1H)-one
Smiles: CCOc1ccc(cc1)NCc1cc2ccccc2[nH]c1=O

STL037812
Synonyms: (E)-furan-2-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)C

STL037816
Synonyms: 7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(=N1)[nH]cn2)c1cccc(c1)OC

STL037817
Synonyms: 3-amino-6-(3,4-dimethoxyphenyl)-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(ccc1OC)c1ccc2c(n1)sc(c2N)C(=O)/N=c/1\scc([nH]1)C

STL037826
Synonyms: 6-chloro-3-(morpholin-4-yl)-4-phenylquinolin-2-ol
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)N1CCOCC1

STL037849
Synonyms: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(quinolin-4-yl)acetamide
Smiles: O=C(Nc1ccnc2c1cccc2)CSc1n[nH]c(n1)C

STL037854
Synonyms: 8-tert-butyl-2-(4-chlorophenyl)-1,2,4-triazaspiro[4.5]dec-3-ene-3-thiol
Smiles: CC(C1CCC2(CC1)NN(C(=N2)S)c1ccc(cc1)Cl)(C)C

STL037855
Synonyms: 8-[(furan-2-ylmethyl)amino]-6-hydroxy-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(NCc2ccco2)nc2c1c(O)nc(=O)n2C)COC(C)C

STL037863
Synonyms: 4-{[(2-chlorophenyl)carbonyl]amino}-2-(5-ethyl-1,3-benzoxazol-3-ium-2-yl)phenolate
Smiles: CCc1ccc2c(c1)[nH+]c(o2)c1cc(ccc1[O-])NC(=O)c1ccccc1Cl

STL037865
Synonyms: 6-hydroxy-3-methyl-7-(4-methylbenzyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2ccncc2)nc2c1c(O)nc(=O)n2C

STL037869
Synonyms: (5Z)-2-(4-acetylpiperazin-1-yl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one
Smiles: CC(=O)N1CCN(CC1)C1=NC(=O)/C(=C/c2cn[nH]c2c2ccccc2)/S1

STL037880
Synonyms: N'-{(E)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: CCC(N1C(=NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O)S)C

STL037895
Synonyms: 3-[(Z)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxyethenyl]-6-methyl-2H-1,4-benzoxazin-2-one
Smiles: Cc1sc(c(n1)C)/C(=C/c1nc2cc(C)ccc2oc1=O)/O

STL037898
Synonyms: 7-chloro-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-2-ol
Smiles: Clc1ccc2c(c1)C(NCC(=N2)O)c1ccccc1

STL037901
Synonyms: 3-hydroxy-N-(3-methoxyphenyl)-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1c(O)n2CCCc3c2c(c1=O)ccc3

STL037905
Synonyms: 4-{1-[2-(dimethylammonio)ethyl]-4-hydroxy-5-oxo-3-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl}phenolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)[O-])C(=C(C1=O)O)C(=O)c1ccccc1)C

STL037913
Synonyms: 8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCCCCC1)O

STL037914
Synonyms: 5-hydroxy-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: O=c1cc(O)n2c(n1)SCC2

STL037915
Synonyms: 6-[(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)oxy]pyridazin-3-ol
Smiles: Oc1ccc(nn1)Oc1c(C)nc(nc1O)S

STL037921
Synonyms: 1-[2-hydroxy-3-(2-hydroxy-4,4-dimethyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)propyl]pyrrolidinium
Smiles: OC(CN1C(=NC(C1=O)(C)C)O)C[NH+]1CCCC1

STL037922
Synonyms: (2E,5Z)-5-(1H-indol-3-ylmethylidene)-2-(phenylimino)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OC1=N/C(=N\c2ccccc2)/S/C/1=C\c1c[nH]c2c1cccc2

STL037926
Synonyms: 1-[(2Z)-1,3-benzoxazol-2(3H)-ylidene]-2-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]guanidine
Smiles: O=C1NC(=O)C(=C/N=C(/N=c/2\oc3c([nH]2)cccc3)\N)C(=O)N1

STL037930
Synonyms: 4-chloro-N-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Clc1ccc(cc1)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C

STL037942
Synonyms: 6-hydroxy-5-[2-(pyridin-2-yl)ethyl]pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1NC(=O)N=C(C1CCc1ccccn1)O

STL037954
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CCCc1ccccc1)c(O)nc(=O)n2C

STL037970
Synonyms: 3-[(2,4-dichlorobenzyl)sulfonyl]-5-propyl-4H-1,2,4-triazole
Smiles: CCCc1nnc([nH]1)S(=O)(=O)Cc1ccc(cc1Cl)Cl

STL037971
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-nitrophenyl)-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(C1c1ccc(cc1)[N+](=O)[O-])CCCn1c[nH+]cc1)/[O-]

STL037977
Synonyms: (E)-furan-2-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STL037996
Synonyms: N-(2-hydroxy-6-methyl-4-phenylquinolin-3-yl)-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1c(O)nc2c(c1c1ccccc1)cc(cc2)C

STL038002
Synonyms: N'-[(E)-(3-fluorophenyl)methylidene]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
Smiles: Fc1cccc(c1)/C=N/NC(=O)c1c(O)nc2c(c1O)CCCC2

STL038005
Synonyms: 1-(1,3-benzothiazol-2-yl)-3-phenyl-4-{(E)-[(tetrahydrofuran-2-ylmethyl)imino]methyl}-1H-pyrazol-5-ol
Smiles: Oc1c(/C=N/CC2CCCO2)c(nn1c1nc2c(s1)cccc2)c1ccccc1

STL038011
Synonyms: 7-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)C1C=C(N=c2n1nc[nH]2)c1ccc(cc1)C

STL038012
Synonyms: (2Z)-3-(1H-benzotriazol-1-yl)-4-hydroxy-2-(phenylimino)naphthalen-1(2H)-one
Smiles: O=C1c2ccccc2C(=C(/C/1=N/c1ccccc1)n1nnc2c1cccc2)O

STL038013
Synonyms: 2,4-dichloro-6-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ammonio]methyl}phenolate
Smiles: Clc1cc(Cl)c(c(c1)C[NH2+]c1c(=O)n(n(c1C)C)c1ccccc1)[O-]

STL038018
Synonyms: N-(4-acetylphenyl)-2-{[3-cyano-5-hydroxy-4-(2-methylphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C(=O)C)N=C2C(=C(O)CCC2)C1c1ccccc1C

STL038024
Synonyms: (E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STL038028
Synonyms: 4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccncc1

STL038037
Synonyms: (6Z)-6-[(2E)-(4-ethoxybenzylidene)hydrazinylidene]-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: CCOc1ccc(cc1)/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2

STL038046
Synonyms: 6-hydroxy-5-[2-(4-methoxyphenyl)ethyl]-5-[2-(pyridin-4-yl)ethyl]-2-sulfanylpyrimidin-4(5H)-one
Smiles: COc1ccc(cc1)CCC1(CCc2ccncc2)C(=NC(=NC1=O)S)O

STL038048
Synonyms: 4-benzyl-4-hydroxy-3-methyl-2,6-diphenylpiperidinium
Smiles: CC1C([NH2+]C(CC1(O)Cc1ccccc1)c1ccccc1)c1ccccc1

STL038079
Synonyms: {2-[(E)-(2-{[4-(4-chlorobenzyl)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)Cl

STL038084
Synonyms: 6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2-phenylethyl)amino]-3,7-dihydro-2H-purin-2-one
Smiles: O=c1nc(O)c2c(n1C)nc(n2Cc1cccc2c1cccc2)NCCc1ccccc1

STL038090
Synonyms: (5Z)-3-(4-fluorophenyl)-6-hydroxy-5-{[1-(3-phenoxypropyl)-1H-pyrrol-2-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cccn2CCCOc2ccccc2)/C1=O)O

STL038096
Synonyms: 7-({3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propyl}amino)-2-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCN(CC1)Cc1ccc2c(c1)OCO2

STL038097
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CCCn1c[nH+]cc1)c1ccccc1

STL038112
Synonyms: 7-bromo-5-(4-chlorophenyl)-3H-1,4-benzodiazepine-2,3-diol
Smiles: Clc1ccc(cc1)C1=NC(O)C(=Nc2c1cc(Br)cc2)O

STL038117
Synonyms: N'-[(E)-(2-fluorophenyl)methylidene]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)N/N=C/c1ccccc1F

STL038118
Synonyms: 5-benzyl-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)Cc3ccccc3)/[nH]c2cc1C

STL038128
Synonyms: {2-[(E)-{1-[2-(4-fluorophenyl)ethyl]-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)CCc1ccc(cc1)F)O

STL038135
Synonyms: 3-hydroxy-4-[(Z)-(4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]naphthalene-2-carboxylicacid
Smiles: O=C1NC(=O)/C(=C\c2c(O)c(cc3c2cccc3)C(=O)O)/C(=N1)O

STL038143
Synonyms: N-butyl-3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCCCN(C(=O)c1cc(OCC)c(c(c1)OCC)OCC)Cc1cc2cc(OC)ccc2[nH]c1=O

STL038145
Synonyms: 1-(1,3-benzothiazol-2-yl)-3-methyl-4-{(1Z)-N-[3-(morpholin-4-yl)propyl]ethanimidoyl}-1H-pyrazol-5-ol
Smiles: C/C(=N/CCCN1CCOCC1)/c1c(C)nn(c1O)c1nc2c(s1)cccc2

STL038148
Synonyms: 4-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1F

STL038160
Synonyms: (E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)Cc1ccc[nH+]c1)/[O-]

STL038161
Synonyms: (5Z)-5-(4-fluorobenzylidene)-6-hydroxy-3-(4-methoxybenzyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)CN1C(=O)N=C(/C(=C/c2ccc(cc2)F)/C1=O)O

STL038162
Synonyms: N-(2-{2-[(Z)-(1-cyclopropyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-1H-indol-3-yl}ethyl)heptanamide
Smiles: CCCCCCC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)C2CC2)S)[nH]c2c1cccc2

STL038164
Synonyms: 5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Brc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1ccc(cc1Cl)Cl

STL038169
Synonyms: 2-ethyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-4-thione
Smiles: CCc1nc2sc3c(c2c(=S)[nH]1)CC(OC3)(C)C

STL038177
Synonyms: 4-(2,4-dimethoxyphenyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)ccc1n1c(=S)[nH]nc1c1ccccc1

STL038178
Synonyms: 3-phenyl-1-[(Z)-[(phenylcarbamoyl)amino]{[(2Z)-4,6,7-trimethylquinazolin-2(3H)-ylidene]amino}methylidene]urea(non-preferredname)
Smiles: O=C(N/C(=N/C(=O)Nc1ccccc1)/N=c\1/[nH]c(C)c2c(n1)cc(c(c2)C)C)Nc1ccccc1

STL038185
Synonyms: 1-(butan-2-yl)-4-(4-fluorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)F)C

STL038191
Synonyms: 8-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Smiles: Cc1ccc2c(c1)c1nnc(nc1[nH]2)S

STL038200
Synonyms: 4-{[(2Z)-3-[(thiophen-2-ylsulfonyl)amino]quinoxalin-2(1H)-ylidene]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1)/N=c/1\[nH]c2ccccc2nc1NS(=O)(=O)c1cccs1

STL038203
Synonyms: N-[2-(2-{(Z)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)c2ccc(cc2)Br)O)[nH]c2c1cccc2

STL038210
Synonyms: (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Smiles: CCOc1cc(ccc1O)/C=C\1/C(=NC(=NC1=O)S)O

STL038211
Synonyms: methyl(2E)-[(2E)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-3-(4-methoxyphenyl)-5-oxoimidazolidin-4-ylidene]ethanoate
Smiles: COC(=O)/C=C/1\C(=O)N/C(=N\c2nc(C)cc(n2)C)/N1c1ccc(cc1)OC

STL038213
Synonyms: (3Z)-4-hydroxy-N,4-bis(4-methoxyphenyl)-2-oxobut-3-enamide
Smiles: COc1ccc(cc1)NC(=O)C(=O)/C=C(/c1ccc(cc1)OC)\O

STL038218
Synonyms: 5-(2,4-dimethoxybenzyl)-6-hydroxy-2-oxo-2,3-dihydropyrimidin-4-olate
Smiles: COc1cc(OC)ccc1Cc1c(O)nc(=O)[nH]c1[O-]

STL038224
Synonyms: (6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl3-methylbutanoate
Smiles: CC(CC(=O)OCc1cc2cc(C)ccc2[nH]c1=O)C

STL038227
Synonyms: 4-[(dimethylammonio)methyl]-3-(ethoxycarbonyl)-2-methyl-1-benzofuran-5-olate
Smiles: CCOC(=O)c1c(C)oc2c1c(C[NH+](C)C)c(cc2)[O-]

STL038239
Synonyms: N-[N'-(2-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanamide
Smiles: Cc1cc(C)nc(n1)N/C(=N/c1ccccc1Br)/NC(=O)C(N1C(=O)C2C(C1=O)CCCC2)Cc1ccccc1

STL038241
Synonyms: 5-cyclohexyl-2-[(2-ethoxyethyl)sulfanyl]-5-methyl-5,6-dihydrobenzo[h]quinazolin-4-ol
Smiles: CCOCCSc1nc(O)c2c(n1)c1ccccc1CC2(C)C1CCCCC1

STL038257
Synonyms: N-[(E)-amino{[(2E)-6-ethyl-4-methylquinazolin-2(3H)-ylidene]amino}methylidene]-2-(methylamino)benzamide
Smiles: CCc1ccc2c(c1)c(C)[nH]/c(=N\C(=N\C(=O)c1ccccc1NC)\N)/n2

STL038260
Synonyms: methyl2-[(6-hydroxy-3-methyl-2-oxo-7-pentyl-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate
Smiles: CCCCCn1c(SC(C(=O)OC)C)nc2c1c(O)nc(=O)n2C

STL038272
Synonyms: 6-(ethylsulfonyl)-3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-2H-1,4-benzoxazin-2-one
Smiles: CCS(=O)(=O)c1ccc2c(c1)nc(c(=O)o2)/C=C(/c1ccc(cc1)C)\O

STL038275
Synonyms: 2-{4-[(2-hydroxyethyl)ammonio]-6-methylpyrimidin-2-yl}phenolate
Smiles: OCC[NH2+]c1cc(C)nc(n1)c1ccccc1[O-]

STL038281
Synonyms: N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]thiophene-2-carboxamide
Smiles: COc1cccc(c1)N(C(=O)c1cccs1)Cc1cc2ccc(cc2[nH]c1=O)C

STL038299
Synonyms: 3-{[(2Z)-3-[(thiophen-2-ylsulfonyl)amino]quinoxalin-2(1H)-ylidene]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)/N=c/1\[nH]c2ccccc2nc1NS(=O)(=O)c1cccs1

STL038313
Synonyms: (5E)-1-butyl-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=NC(=O)/C(=C\NCCCn2ccnc2)/C1=O)S

STL038319
Synonyms: N-[(E)-2-(furan-2-yl)-1-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethenyl]-4-methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)N/C(=C/c1ccco1)/c1nnc([nH]1)S

STL038321
Synonyms: 2-(5-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Smiles: C=CCN1C(=NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O)S

STL038322
Synonyms: (E)-(2,8-dimethylimidazo[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)nc2n1cccc2C)\[O-])c1cccs1)CC[NH+]1CCOCC1

STL038324
Synonyms: 2-chloro-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)c1ccccc1Cl

STL038327
Synonyms: (6Z)-6-[(2E)-(3-methoxybenzylidene)hydrazinylidene]-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: COc1cccc(c1)/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2

STL038330
Synonyms: 4-[3-(pyrazin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1c(n[nH]c1=S)c1nccnc1

STL038341
Synonyms: (5Z)-5-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methylidene]-6-hydroxy-3-(3-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CCN1CCc2c1ccc(c2)/C=C\1/C(=NC(=O)N(C1=O)c1cccc(c1)C)O

STL038357
Synonyms: 1-cyclohexyl-3-[(2Z)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]urea
Smiles: CCC1S/C(=N\C(=O)NC2CCCCC2)/NC1=O

STL038361
Synonyms: 3-[(Z)-2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-nitro-2H-1,4-benzoxazin-2-one
Smiles: COc1ccc(cc1OC)/C(=C/c1nc2ccc(cc2oc1=O)[N+](=O)[O-])/O

STL038362
Synonyms: 5-(2,3-dichlorobenzyl)-2,6-dihydroxy-5-[2-(pyridin-4-yl)ethyl]pyrimidin-4(5H)-one
Smiles: OC1=NC(=O)C(C(=N1)O)(CCc1ccncc1)Cc1cccc(c1Cl)Cl

STL038368
Synonyms: (5E)-5-[(azepan-1-ylamino)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NN1CCCCCC1)c1ccccc1

STL038370
Synonyms: (5Z)-3-(3-chlorophenyl)-6-hydroxy-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=O)N=C(/C(=C/NCCCN2CCOCC2)/C1=O)O

STL038378
Synonyms: 4-chloro-N-(3-methoxyphenyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1cccc(c1)N(C(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O

STL038390
Synonyms: 5-[(E)-{2-[(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2-hydroxyphenolate
Smiles: O=C(CSc1sc2c([nH+]1)cccc2)N/N=C/c1ccc(c(c1)[O-])O

STL038398
Synonyms: 4-{(E)-[5-iminio-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenolate
Smiles: [O-]c1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)c1cccnc1

STL038400
Synonyms: 3-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-2-hydroxy-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2nc(n(c1=O)/N=C/c1ccc(c(c1)OC)OC)O

STL038409
Synonyms: 2-amino-3-carbamoyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium
Smiles: NC(=O)c1cc2[nH]c3c(c2[n+](c1N)c1ccc(cc1)[N+](=O)[O-])cccc3

STL038415
Synonyms: N-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]tetrahydrofuran-2-carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C1CCCO1)C

STL038424
Synonyms: (5Z)-6-hydroxy-3-(2-phenylethyl)-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/NCCN2CCNCC2)/C(=O)N1CCc1ccccc1

STL038456
Synonyms: (5Z)-5-[(2-hydroxyquinolin-3-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
Smiles: SC1=NC(=O)/C(=C/c2cc3ccccc3nc2O)/S1

STL038460
Synonyms: 4-({(Z)-[1-(3,4-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoicacid
Smiles: O=C1N=C(O)/C(=C/Nc2ccc(cc2)C(=O)O)/C(=O)N1c1ccc(c(c1)C)C

STL038474
Synonyms: (2E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(furan-2-yl)prop-2-enamide
Smiles: O=C(/C=C/c1ccco1)NCCc1nc2c([nH]1)cccc2

STL038478
Synonyms: (E)-{2-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)CCCn1cc[nH+]c1)/[O-]

STL038479
Synonyms: (E)-(2,4-dimethyl-1,3-thiazol-5-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: Cc1nc(c(s1)/C(=C\1/C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[O-])C

STL038488
Synonyms: 2-{2-methoxy-5-[(Z)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]benzyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)N=C(N(C1=O)C)S

STL038494
Synonyms: (5Z)-3-(furan-2-ylmethyl)-6-hydroxy-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/c2cn(c3c2cccc3)CC(=O)N2CCCC2)/C(=O)N1Cc1ccco1

STL038496
Synonyms: 5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,9'-tetrazolo[5,1-b]quinazoline]
Smiles: C1CCC2(CC1)C1=C(CCCC1)N=c1n2nn[nH]1

STL038508
Synonyms: 1-(carboxymethyl)piperidinium
Smiles: OC(=O)C[NH+]1CCCCC1

STL038510
Synonyms: N-[(2E)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide
Smiles: O=C1N/C(=N\C(=O)c2ccco2)/SC1C

STL038511
Synonyms: 5-(pyridin-3-yl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccc(cc1)C(F)(F)F)c1cccnc1

STL038518
Synonyms: (E)-{2-(4-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(furan-2-yl)methanolate
Smiles: Fc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccco1)/[O-]

STL038525
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-2-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: COc1cc(CCNC(=O)c2c(O)n(CC)c3c(c2=O)cccc3)ccc1OC

STL038526
Synonyms: N-[(2E)-4-hydroxy-1,3-thiazol-2(5H)-ylidene]-4-methylbenzenesulfonamide
Smiles: OC1=N/C(=N\S(=O)(=O)c2ccc(cc2)C)/SC1

STL038527
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCCn1c[nH+]cc1)/[O-]

STL038546
Synonyms: 4-[5-(4-bromophenyl)-3-(2-hydroxy-6-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)c1c(O)nc2c(c1c1ccccc1)cc(cc2)C

STL038549
Synonyms: 2-[(1E)-1-(2-{[4-(4-methylbenzyl)piperazin-1-ium-1-yl]acetyl}hydrazinylidene)ethyl]phenolate
Smiles: O=C(C[NH+]1CCN(CC1)Cc1ccc(cc1)C)N/N=C(/c1ccccc1[O-])\C

STL038551
Synonyms: (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-3-(2,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCN(CCCN/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1C)C)O)CC

STL038563
Synonyms: (E)-(4-chlorophenyl)[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[O-]

STL038564
Synonyms: 1-(6-hydroxy-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2-oxo-3,7-dihydro-2H-purin-8-yl)piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)c1nc2c(n1CCSc1nnc(s1)C)c(O)nc(=O)n2C

STL038582
Synonyms: 2-hydroxy-1-methyl-4-oxo-N'-[(E)-pyridin-4-ylmethylidene]-1,4-dihydroquinoline-3-carbohydrazide
Smiles: O=C(c1c(O)n(C)c2c(c1=O)cccc2)N/N=C/c1ccncc1

STL038602
Synonyms: (E)-{4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STL038629
Synonyms: (E)-(4-chlorophenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[O-]

STL038637
Synonyms: 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-methoxy-5-methylphenyl)guanidine
Smiles: COc1ccc(cc1/N=C(/Nc1nc(C)cc(n1)C)\N)C

STL038660
Synonyms: (5Z)-5-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methylidene]-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CCN1CCc2c1ccc(c2)/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O

STL038664
Synonyms: 2-[(1,4-dioxaspiro[4.5]dec-2-ylmethyl)sulfanyl]-6-methylpyrimidin-4-ol
Smiles: Cc1nc(SCC2COC3(O2)CCCCC3)nc(c1)O

STL038686
Synonyms: 4,6-dichloro-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Smiles: Clc1cc(Cl)c2c(c1)NC(=O)C2(O)CC(=O)c1c(C)n[nH]c1C

STL038690
Synonyms: 4-hydroxy-6-oxo-N-(pyridin-3-yl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: O=C(c1c(=O)c2cccc3c2n(c1O)CC3)Nc1cccnc1

STL038737
Synonyms: 7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(3H)-one
Smiles: O=C1CC(c2ccccc2)n2c(=N1)[nH]cn2

STL038739
Synonyms: (5E)-1-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2cccn2C)/C1=O)S

STL038745
Synonyms: N-[(2-hydroxy-6-methyl-4-phenylquinolin-3-yl)methyl]-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NCc1c(O)nc2c(c1c1ccccc1)cc(cc2)C

STL038768
Synonyms: N-(2-hydroxyethyl)-4-{[(4-hydroxyquinazolin-2-yl)sulfanyl]methyl}benzamide
Smiles: OCCNC(=O)c1ccc(cc1)CSc1nc(O)c2c(n1)cccc2

STL038774
Synonyms: 5-[(E)-(4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]furan-2-sulfonate
Smiles: O=C1NC(=O)/C(=C/c2ccc(o2)S(=O)(=O)[O-])/C(=N1)O

STL038778
Synonyms: 5-cyclohexyl-4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OC)/C=N/n1c(=S)[nH]nc1C1CCCCC1

STL038783
Synonyms: 1-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
Smiles: N/C(=N\c1nc(C)cc(n1)C)/N1CCC(CC1)C(=O)N

STL038787
Synonyms: 2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate
Smiles: Cc1cc(N/N=C/c2ccccc2[O-])[nH+]c(n1)N1CCOCC1

STL038796
Synonyms: 2-{[3-cyano-4-(4-fluorophenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)N=C(CC1c1ccc(cc1)F)O

STL038798
Synonyms: 2-hydroxy-3-(2-hydroxy-4,4-dimethyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)-N,N-di(propan-2-yl)propan-1-aminium
Smiles: OC(CN1C(=NC(C1=O)(C)C)O)C[NH+](C(C)C)C(C)C

STL038806
Synonyms: 3-methyl-N-[(2Z)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-1-benzofuran-2-carboxamide
Smiles: Cc1ccc(cc1)c1cs/c(=N\C(=O)c2oc3c(c2C)cccc3)/[nH]1

STL038809
Synonyms: 7-(4-chlorophenyl)-5-methyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CC1=CC(c2ccc(cc2)Cl)n2c(=N1)[nH]cn2

STL038810
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

STL038813
Synonyms: 4-[(dimethylammonio)methyl]-6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1oc(=O)c1c2CCCCC1)C

STL038818
Synonyms: N-[(2E)-6-ethoxy-4-methylquinazolin-2(3H)-ylidene]-4-methyl-6-phenylpyrimidin-2-amine
Smiles: CCOc1ccc2c(c1)c(C)[nH]/c(=N\c1nc(C)cc(n1)c1ccccc1)/n2

STL038819
Synonyms: 4-(4-fluorophenyl)-7-hydroxy-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: Fc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O

STL038835
Synonyms: 1-(3-methylphenyl)-3-[(2Z)-4-oxo-6-propyl-3,4-dihydropyrimidin-2(1H)-ylidene]guanidine
Smiles: CCCc1cc(=O)[nH]/c(=N\C(=N)Nc2cccc(c2)C)/[nH]1

STL038865
Synonyms: 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-ylbenzoate
Smiles: Brc1ccc2c(c1)C(=NC(C(=N2)O)OC(=O)c1ccccc1)c1ccccc1Cl

STL038878
Synonyms: 3-[(E)-(tert-butylimino)methyl]-6-methylquinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)/C=N/C(C)(C)C

STL038880
Synonyms: N,2-dimethyl-5-[(4Z)-4-({4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl}imino)-3,4-dihydrophthalazin-1-yl]benzenesulfonamide
Smiles: CNS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N\c2ccc(cc2)OCC(=O)N2CCN(CC2)c2ccccc2)/c2c1cccc2

STL038882
Synonyms: 6-benzyl-5-hydroxy-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: O=c1nc2SCCn2c(c1Cc1ccccc1)O

STL038891
Synonyms: (E)-[2-(2-fluorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](5-methylfuran-2-yl)methanolate
Smiles: Cc1ccc(o1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)c1nccc[nH+]1)/[O-]

STL038892
Synonyms: (5Z)-5-(4-bromobenzylidene)-3-(2,3,4,6-tetra-O-acetylhexopyranosyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(=O)OCC1OC(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)N1C(=S)S/C(=C\c2ccc(cc2)Br)/C1=O

STL038896
Synonyms: 2-(5-methyl-1,3-benzoxazol-3-ium-2-yl)-4-{[(2-methylphenyl)carbonyl]amino}phenolate
Smiles: Cc1ccc2c(c1)[nH+]c(o2)c1cc(ccc1[O-])NC(=O)c1ccccc1C

STL038899
Synonyms: (E)-(3,4-dimethoxyphenyl)[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-]

STL038923
Synonyms: 4-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}methyl)benzoate
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)[O-])[nH+]nc1c1ccc(cc1)C(C)(C)C

STL038927
Synonyms: pentyl(2,4-dihydroxyquinolin-3-yl)acetate
Smiles: CCCCCOC(=O)Cc1c(O)nc2c(c1O)cccc2

STL038928
Synonyms: methyl4-[1-hydroxy-3,3-dimethyl-10-(phenylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)(C)C

STL038932
Synonyms: 5,5'-(piperazinediium-1,4-diyldimethanediyl)difuran-2-carboxylate
Smiles: [O-]C(=O)c1ccc(o1)C[NH+]1CC[NH+](CC1)Cc1ccc(o1)C(=O)[O-]

STL038937
Synonyms: 2-fluoro-N-[4-hydroxy-1-methyl-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Smiles: O=C1Nc2c(C1(NC(=O)c1ccccc1F)C(F)(F)F)c(O)nc(=O)n2C

STL038946
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: Cc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccccc1)/[O-]

STL038949
Synonyms: 3-{[(E)-(2-fluorophenyl)methylidene]amino}-2-hydroxy-9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1cccc2c1c1nc(O)n(c(=O)c1[nH]2)/N=C/c1ccccc1F

STL038954
Synonyms: (E)-{2-(5-methylfuran-2-yl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccc(o2)C)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[O-]

STL038959
Synonyms: N-(5-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1c(=O)c2cccc3c2n(c1O)CC3)Cl

STL038968
Synonyms: 4-{(E)-[(3,5-dimethyl-4H-1,2,4-triazol-1-ium-4-yl)imino]methyl}phenolate
Smiles: [O-]c1ccc(cc1)/C=N/n1c(C)n[nH+]c1C

STL039004
Synonyms: 1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({1-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl}[4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl)-4-hydroxy-6-oxo-1,6-dihydr
Smiles: COc1ccc(cc1C[NH+]1CCCCC1)C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)S)c1c(O)nc(n(c1=O)CCC1=CCCCC1)[S-]

STL039018
Synonyms: N-[(2E)-5-{2-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-2-oxoethyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: COc1cc(/C=N/NC(=O)Cc2n[nH]/c(=N\C(=O)c3ccccc3)/s2)ccc1O

STL039026
Synonyms: 4-[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoicacid
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1c1ccc(cc1)C(=O)O

STL039030
Synonyms: 4-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]-4-oxobutanoate
Smiles: [O-]C(=O)CCC(=O)N1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1)C

STL039046
Synonyms: ethyl2-imino-2,3-dihydro-1,3-thiazole-4-carboxylate
Smiles: CCOC(=O)c1csc(=N)[nH]1

STL039052
Synonyms: 7-(2-chlorobenzyl)-8-[(furan-2-ylmethyl)amino]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Clc1ccccc1Cn1c(NCc2ccco2)nc2c1c(O)nc(=O)n2C

STL039074
Synonyms: (5E)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C\NCCCn2cncc2)/C1=O)O

STL039075
Synonyms: (2E,5Z)-5-(2-methoxybenzylidene)-2-(phenylimino)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: COc1ccccc1/C=C/1\S/C(=N/c2ccccc2)/N=C1O

STL039090
Synonyms: 4-{3-acetyl-4-hydroxy-1-[3-(morpholin-4-ium-4-yl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])C1N(CCC[NH+]2CCOCC2)C(=O)C(=C1C(=O)C)O

STL039095
Synonyms: 2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol
Smiles: Oc1nc(SCCN2CCOCC2)nc(c1c1ccccc1)O

STL039096
Synonyms: (4E)-4-{[2-(trifluoromethyl)phenyl]imino}-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1nc[nH]/c(=N\c2ccccc2C(F)(F)F)/n1

STL039110
Synonyms: 2-{(6Z)-6-[(2-chlorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
Smiles: Cc1c/c(=N/c2ccccc2Cl)/[nH]c(n1)c1ccccc1O

STL039113
Synonyms: (E)-{2-(4-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: Clc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-]

STL039116
Synonyms: 1-(2,4-dichlorophenyl)-3-[(2E)-5-(2-fluorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: Clc1ccc(c(c1)Cl)NC(=O)/N=c/1\[nH]nc(s1)Cc1ccccc1F

STL039139
Synonyms: 4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)ccc1/C=N/n1c(=S)[nH]nc1c1ccncc1

STL039147
Synonyms: 8-bromo-7-(2-ethoxyethyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c2nc(n(c2c(nc1=O)O)CCOCC)Br

STL039165
Synonyms: N-cyclopentyl-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)NC1CCCC1

STL039171
Synonyms:
Smiles: CCN(S(=O)(=O)c1ccc(c2c1nsn2)Br)CC

STL039176
Synonyms: N'-{(Z)-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: O=C(c1ccncc1)NN/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O

STL039177
Synonyms: 1-{4,6-bis[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}-4,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)Nc1nc(Nc2ccc(cc2)OC)nc(n1)n1[nH]c(=O)c(c1C)C

STL039179
Synonyms: 2,4-dibromo-6-{[(1-propyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCCn1c(NCc2cc(Br)cc(c2[O-])Br)[nH+]c2c1cccc2

STL039192
Synonyms: (5Z)-3-(2-ethoxyphenyl)-6-hydroxy-5-[(morpholin-4-ylamino)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccccc1N1C(=O)N=C(/C(=C/NN2CCOCC2)/C1=O)O

STL039202
Synonyms: N-cyclohexyl-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)C1CCCCC1

STL039209
Synonyms: 2-{[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc(O)cc(n1)c1ccc(cc1)OC

STL039221
Synonyms: N-[(E)-(1-cyclopropyl-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)C1CC1)S

STL039228
Synonyms: 7-phenyl-2-sulfanyl-5H-pyrano[2,3-d]pyrimidine-4,5-diol
Smiles: Sc1nc2OC(=CC(c2c(n1)O)O)c1ccccc1

STL039236
Synonyms: ({4-methyl-5-[4-(propanoylamino)phenyl]-4H-1,2,4-triazol-2-ium-3-yl}sulfanyl)acetate
Smiles: CCC(=O)Nc1ccc(cc1)c1n[nH+]c(n1C)SCC(=O)[O-]

STL039239
Synonyms: (E)-[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-]

STL039241
Synonyms: (5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)aceticacid
Smiles: Cc1cc(=O)n2c(n1)[nH]c(n2)CC(=O)O

STL039258
Synonyms: methyl(2Z)-[(2Z)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-4-hydroxy-1,3-thiazol-5(2H)-ylidene]ethanoate
Smiles: COC(=O)/C=C/1\S/C(=N\N=C\c2ccco2)/N=C1O

STL039259
Synonyms: (5Z)-1-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C/c2ccc(s2)[N+](=O)[O-])/C1=O)S

STL039265
Synonyms: (E)-(5-methyl-1-phenyl-1H-pyrazol-4-yl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccccc1

STL039278
Synonyms: (4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1CCOC

STL039279
Synonyms: 4-hydroxy-6-oxo-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: O=C(c1c(O)n2CCc3c2c(c1=O)ccc3)NC12CC3CC(C2)CC(C1)C3

STL039280
Synonyms: 1,2-dimethyl-N-[(1Z)-4-methylphthalazin-1(2H)-ylidene]-1H-benzimidazol-5-amine
Smiles: Cc1n[nH]/c(=N\c2ccc3c(c2)nc(n3C)C)/c2c1cccc2

STL039286
Synonyms: (2Z)-3-(2,4-dichlorophenyl)-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(cc1Cl)Cl)O

STL039289
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-4-hydroxy-1-(2-methylpropyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CC(Cn1c2CCCCc2c(c(c1=O)C(=O)/N=c\1/sc2c([nH]1)cccc2)O)C

STL039290
Synonyms: methyl3-cyano-2-sulfanyl-6-(thiophen-2-yl)pyridine-4-carboxylate
Smiles: COC(=O)c1cc(nc(c1C#N)S)c1cccs1

STL039300
Synonyms: 6-hydroxy-3-methyl-7-(4-methylbenzyl)-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(O)nc(=O)n2C

STL039301
Synonyms: N-[(4E)-1-benzyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]-4-ethoxyaniline
Smiles: CCOc1ccc(cc1)/N=c\1/nc[nH]c2c1cnn2Cc1ccccc1

STL039311
Synonyms: (E)-(3,4-dimethoxyphenyl)[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/[O-]

STL039316
Synonyms: 6-chloro-3-(diethylamino)-4-phenylquinolin-2-ol
Smiles: CCN(c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl)CC

STL039319
Synonyms: (E)-{2-(4-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CCCn1cc[nH+]c1)/[O-]

STL039328
Synonyms: 7-(2-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1C1C=C(N=c2n1nc[nH]2)c1ccccc1

STL039331
Synonyms: N'-(benzo[cd]indol-2-yl)-2-(4-chlorophenoxy)acetohydrazide
Smiles: O=C(COc1ccc(cc1)Cl)NNC1=Nc2c3c1cccc3ccc2

STL039342
Synonyms: N-[(2E)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
Smiles: CC1CCc2c(C1)s/c(=N/C(=O)CSc1nnc[nH]1)/[nH]2

STL039370
Synonyms: N-[(2E)-5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: CC(=O)/N=c/1\[nH]nc(s1)c1ccc(cc1)[N+](=O)[O-]

STL039374
Synonyms: 3-[(Z)-(5-hydroxy-2-sulfanyl-4H-imidazol-4-ylidene)methyl]-6-methoxyquinolin-2(1H)-one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)/C=C/1\N=C(N=C1O)S

STL039376
Synonyms: 2-[4-(cyclohexylammonio)quinazolin-2-yl]phenolate
Smiles: [O-]c1ccccc1c1nc2ccccc2c(n1)[NH2+]C1CCCCC1

STL039378
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-2-yl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: [O-]/C(=C/1\C(c2cccnc2)N(C(=O)C1=O)c1cccc[nH+]1)/c1ccccc1

STL039387
Synonyms: 2-(7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4-ium-5-yl)phenolate
Smiles: [O-]c1ccccc1C1=[NH+]c2ncnn2C(C1)c1ccccc1

STL039391
Synonyms: (5E)-5-[4-(diethylamino)benzylidene]-2-hydroxy-1-(4-methoxyphenyl)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(cc2)N(CC)CC)/C1=O)O

STL039392
Synonyms: N-[(2Z)-benzo[cd]indol-2(1H)-ylidene]-2-methylaniline
Smiles: Cc1ccccc1/N=c/1\[nH]c2c3c1cccc3ccc2

STL039393
Synonyms: (5Z)-1-cyclohexyl-5-[(morpholin-4-ylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\NN1CCOCC1)C1CCCCC1

STL039398
Synonyms: (5E)-1-cyclohexyl-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NCCCn1ccnc1)C1CCCCC1

STL039403
Synonyms: N-butyl-5-(4-hydroxyphthalazin-1-yl)-2-methylbenzenesulfonamide
Smiles: CCCCNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)O

STL039421
Synonyms: 1-(4-methoxyphenyl)-3-[(2Z)-5-{[(4-methylphenyl)sulfanyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: COc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)CSc1ccc(cc1)C

STL039425
Synonyms: 6-amino-4-(4-bromothiophen-2-yl)-3-tert-butyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1scc(c1)Br)c(n[nH]2)C(C)(C)C

STL039432
Synonyms: 4-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)c1ccc(cc1)F)C

STL039438
Synonyms: N-benzyl-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)NCc1ccccc1

STL039442
Synonyms: 2-[(2-methoxyethyl)amino]-9-methyl-3-[(Z)-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=NC1=O)S

STL039456
Synonyms: 3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)C1)c1cc(C)cc(c1)C

STL039457
Synonyms: 2-methoxy-6-[(E)-{[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]phenolate
Smiles: COC(=O)c1c(/N=C/c2cccc(c2[O-])OC)sc2c1CC[NH+](C2)C

STL039462
Synonyms: 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol
Smiles: CN(CCSc1nc(O)c(c(n1)O)C(C)C)C

STL039463
Synonyms: (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccccc1C1NC(=O)C(=O)/C/1=C(\c1ccc(cc1)Br)/O

STL039465
Synonyms: (4E)-4-(phenylimino)-6-[(pyrimidin-2-ylsulfanyl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1nc(CSc2ncccn2)[nH]/c(=N\c2ccccc2)/n1

STL039471
Synonyms: (E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1sc2c([nH+]1)cccc2)/[O-]

STL039498
Synonyms: 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Smiles: COc1ccc2c(c1)c(C)nc(n2)Nc1nc(CSc2ccc(cc2)C)cc(=O)[nH]1

STL039516
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dihydroxy-3-(2,4,6-trimethylphenyl)pyrimidin-4(3H)-one
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)nc(n(c1=O)c1c(C)cc(cc1C)C)O

STL039517
Synonyms: 6-({4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-yl}carbonyl)cyclohex-3-ene-1-carboxylate
Smiles: [O-]C(=O)C1CC=CCC1C(=O)N1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1Cl)Br

STL039521
Synonyms: (2E)-5,5-bis(hydroxymethyl)-2-[(4-methylphenyl)imino]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OCC1(CO)S/C(=N/c2ccc(cc2)C)/N=C1O

STL039525
Synonyms: N-[(2E)-5-{[(2-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: O=C(C(C)C)/N=c/1\[nH]nc(s1)CSCc1ccccc1F

STL039527
Synonyms: N-[5-(4-chlorophenyl)-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
Smiles: Clc1ccc(cc1)C1=CC(c2ccccc2)n2c(=N1)[nH]c(n2)NC(=O)c1ccco1

STL039533
Synonyms: N-(2-ethoxyphenyl)-6-(4-fluorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
Smiles: CCOc1ccccc1NC(=O)C1=C(C)N=C(NC1c1ccc(cc1)F)S

STL039535
Synonyms: 7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1c(F)cccc1Cl

STL039542
Synonyms: N-[(2E)-4,6-dimethylquinazolin-2(1H)-ylidene]-5-[2-(morpholin-4-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)CCN1CCOCC1)/[nH]2

STL039546
Synonyms: N-cyclohexyl-N-[2-hydroxy-3-(2-hydroxy-4,4-dimethyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)propyl]cyclohexanaminium
Smiles: OC(CN1C(=NC(C1=O)(C)C)O)C[NH+](C1CCCCC1)C1CCCCC1

STL039549
Synonyms: 4-[3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1ccccn1)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STL039552
Synonyms: (5Z)-1-(4-chlorophenyl)-5-(3,4-dihydroxybenzylidene)-2-hydroxypyrimidine-4,6(1H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=NC(=O)/C(=C/c2ccc(c(c2)O)O)/C1=O)O

STL039558
Synonyms: 5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: Cc1cc(=O)n2c(n1)[nH]c(n2)c1ccccc1

STL039567
Synonyms: (5Z)-3-(4-fluorobenzyl)-6-hydroxy-5-[4-(pyrrolidin-1-yl)benzylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C/c2ccc(cc2)N2CCCC2)/C1=O)O

STL039572
Synonyms: N'-[(E)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]benzohydrazide
Smiles: O=C(c1ccccc1)NN/C=C/1\C(=O)N=C(N(C1=O)C)S

STL039576
Synonyms: (5E)-5-[(azepan-1-ylamino)methylidene]-3-(2-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccccc1N1C(=O)N=C(/C(=C\NN2CCCCCC2)/C1=O)O

STL039577
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: COC(=O)c1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)nc2n1cccc2C)/[O-]

STL039580
Synonyms: 5-(phenoxymethyl)-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccccc1C(F)(F)F)COc1ccccc1

STL039581
Synonyms: (E)-(3-methoxyphenyl)[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[O-]

STL039587
Synonyms: 4-{(3E)-2-(4-chlorophenyl)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoicacid
Smiles: OC(=O)CCCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O

STL039590
Synonyms: (E)-[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-2-methylphenyl)methanolate
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-]

STL039591
Synonyms: (5Z)-1-methyl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN1C(=NC(=O)/C(=C/c2[nH]ccc2)/C1=O)S

STL039602
Synonyms: (E)-(4-chlorophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCCn1cc[nH+]c1)/[O-]

STL039635
Synonyms: 5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-4H-pyrazol-3-ol
Smiles: OC1=NN=C(C1)CSc1nnnn1c1ccccc1

STL039643
Synonyms: (5E)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C/c2cc([nH]c2C)C)/C(=N1)O

STL039653
Synonyms: 6-methyl-5-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}pyrimidine-2,4-diol
Smiles: CN1CCN(CC1)/N=C/c1c(C)nc(nc1O)O

STL039657
Synonyms: 8,8-dimethyl-2-sulfanyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-ol
Smiles: Sc1nc2nc3CC(C)(C)OCc3cc2c(n1)O

STL039661
Synonyms: N'-[(E)-(1-cyclopropyl-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)C1CC1)S

STL039665
Synonyms: (6Z)-6-[(4-methoxyphenyl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)/N=c/1\nc(CN2CCN(CC2)c2ccccc2)nc([nH]1)N

STL039668
Synonyms: [(5Z)-4-oxo-5-(pyridinium-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetate
Smiles: [O-]C(=O)CN1C(=S)S/C(=C\c2cc[nH+]cc2)/C1=O

STL039672
Synonyms: N'-[(E)-(2,4-dihydroxy-6-methylpyrimidin-5-yl)methylidene]-3-(4-propoxyphenyl)propanehydrazide
Smiles: CCCOc1ccc(cc1)CCC(=O)N/N=C/c1c(C)nc(nc1O)O

STL039673
Synonyms: 5-(2,4-dimethylphenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4-ol
Smiles: Cc1ccc(c(c1)C)c1csc2c1c(O)nc(n2)S

STL039680
Synonyms: (E)-[2-(4-ethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](5-methylfuran-2-yl)methanolate
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STL039692
Synonyms: 3-hydroxy-5,5-dimethyl-2-[(1E)-N-(4-methylphenyl)ethanimidoyl]cyclohex-2-en-1-one
Smiles: Cc1ccc(cc1)/N=C(/C1=C(O)CC(CC1=O)(C)C)\C

STL039703
Synonyms: 1-(1,3-benzothiazol-2-yl)-4-[(E)-2-(benzylamino)ethenyl]-3-propyl-1H-pyrazol-5-ol
Smiles: CCCc1nn(c(c1/C=C/NCc1ccccc1)O)c1nc2c(s1)cccc2

STL039717
Synonyms: ethyl(4-sulfanylphthalazin-1-yl)acetate
Smiles: CCOC(=O)Cc1nnc(c2c1cccc2)S

STL039726
Synonyms: N-(2-{2-[(E)-(1-benzyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-3-yl}ethyl)acetamide
Smiles: CC(=O)NCCc1c(/C=C/2\C(=NC(=O)N(C2=O)Cc2ccccc2)O)[nH]c2c1cccc2

STL039728
Synonyms: 7-(3-bromobenzyl)-8-{[2-(diethylamino)ethyl]amino}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCN(CCNc1nc2c(n1Cc1cccc(c1)Br)c(O)nc(=O)n2C)CC

STL039731
Synonyms: (E)-{4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STL039737
Synonyms: (E)-[2-(4-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc[nH+]c1)/[O-]

STL039758
Synonyms: 4-hydroxy-2-oxo-1-pentyl-N-[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCCCn1c(=O)c(C(=O)/N=c/2\[nH]nc(s2)CCC)c(c2c1cccc2)O

STL039759
Synonyms: (5Z)-1-(3,4-dimethylphenyl)-2-hydroxy-5-[(1-methyl-1H-indol-3-yl)methylidene]pyrimidine-4,6(1H,5H)-dione
Smiles: OC1=NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C(=O)N1c1ccc(c(c1)C)C

STL039784
Synonyms: 4-{(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoicacid
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1CCCC(=O)O

STL039786
Synonyms: 5-(furan-2-yl)-4-{[(E)-phenylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccccc1)c1ccco1

STL039787
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]benzenesulfonamide
Smiles: Fc1ccc(cc1)n1c(=O)nc(c2c1NC(=O)C2(NS(=O)(=O)c1ccccc1)C(F)(F)F)O

STL039803
Synonyms: (5Z)-5-(3,4-dimethoxybenzylidene)-1-(2-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1OC)/C=C\1/C(=O)N=C(N(C1=O)c1ccccc1F)S

STL039811
Synonyms: 5-phenyl-4-{[(E)-pyridin-3-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1cccnc1)c1ccccc1

STL039819
Synonyms: {(4Z)-7,7-dimethyl-4-[(2-methylphenyl)imino]-2-sulfanyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-1-yl}acetonitrile
Smiles: N#CCN1C(=N/C(=N\c2ccccc2C)/C21CCOC(C2)(C)C)S

STL039826
Synonyms: 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-methylbenzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C

STL039827
Synonyms: 1-(2-methoxyphenyl)-3-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: COc1ccccc1NC(=O)/N=c/1\[nH]nc(s1)CC(C)C

STL039850
Synonyms: 3'-(3,5-dimethylphenyl)-2-hydroxy-4'H-spiro[indole-3,2'-[1,3]thiazolidin]-4'-one
Smiles: Cc1cc(C)cc(c1)N1C(=O)CSC21C(=Nc1c2cccc1)O

STL039852
Synonyms: 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1ccncc1)Br

STL039868
Synonyms: (4-bromophenyl)[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone
Smiles: Brc1ccc(cc1)C(=O)c1cn[nH]c1c1ccccc1O

STL039874
Synonyms: 2-[(E)-2-(2-chlorophenyl)ethenyl]quinazolin-4-ol
Smiles: Clc1ccccc1/C=C/c1nc(O)c2c(n1)cccc2

STL039877
Synonyms: 5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-ol
Smiles: COc1ccc(cc1)c1csc2c1c(O)ncn2

STL039885
Synonyms: [5-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-4-yl](4-methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)c1cn[nH]c1c1cc(Cl)ccc1O

STL039887
Synonyms: 2,4-dimethyl-N-[(4Z)-1-phenyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]aniline
Smiles: Cc1ccc(c(c1)C)/N=c/1\nc[nH]c2c1cnn2c1ccccc1

STL039908
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}(4-methylphenyl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STL039911
Synonyms: N-[(1Z)-4-methylphthalazin-1(2H)-ylidene]-1,3-benzodioxol-5-amine
Smiles: Cc1n[nH]/c(=N\c2ccc3c(c2)OCO3)/c2c1cccc2

STL039912
Synonyms: 4-chloro-2-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ammonio]ethyl}phenolate
Smiles: Clc1ccc(c(c1)C([NH2+]c1c(C)n(n(c1=O)c1ccccc1)C)C)[O-]

STL039918
Synonyms: (5Z)-2-hydroxy-5-(1H-indol-3-ylmethylidene)-1-(2-methoxyphenyl)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C/c2c[nH]c3c2cccc3)/C1=O)O

STL039922
Synonyms: 5-ethyl-2-(3-methylbutyl)-5-propyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Smiles: CCCC1(CC)N=C(N(N1)CCC(C)C)S

STL039929
Synonyms: {(3E)-2-(4-chlorophenyl)-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)Cl

STL039947
Synonyms: (8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl3,4-dimethoxybenzoate
Smiles: COc1cc(ccc1OC)C(=O)OCc1cc2cccc(c2[nH]c1=O)C

STL039955
Synonyms: 8-[(2-chloro-6-fluorobenzyl)sulfanyl]-7-dodecyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(O)nc(=O)n2C

STL039960
Synonyms: methyl(2Z)-[(2Z)-2-{[(3-chlorophenyl)carbonyl]imino}-4-hydroxy-1,3-thiazol-5(2H)-ylidene]ethanoate
Smiles: COC(=O)/C=C/1\S/C(=N\C(=O)c2cccc(c2)Cl)/N=C1O

STL039969
Synonyms: (5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(2-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\C=C\c1ccco1)c1ccccc1C

STL039973
Synonyms: 2-ethyl4-methyl5-(4,6-dioxo-2-phenyl-3-{4-[(phenylsulfonyl)oxy]phenyl}hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OS(=O)(=O)c1ccccc1)c1ccccc1

STL039979
Synonyms: 3-hydroxy-N-(6-methylpyridin-2-yl)-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide
Smiles: Cc1cccc(n1)NC(=O)c1c(=O)c2cccc3c2n(c1O)CCC3

STL039984
Synonyms: 3-(1H-3,1-benzimidazol-3-ium-2-yl)benzoate
Smiles: [O-]C(=O)c1cccc(c1)c1[nH]c2c([nH+]1)cccc2

STL039989
Synonyms: (E)-1-benzofuran-2-yl{1-[2-(dimethylammonio)ethyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)F)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)C

STL039992
Synonyms: 3-methoxy-N-[(2Z)-6-methyl-4-phenylquinazolin-2(3H)-ylidene]aniline
Smiles: COc1cccc(c1)/N=c/1\nc2ccc(cc2c([nH]1)c1ccccc1)C

STL039997
Synonyms: N-[(E)-amino{[(2E)-4,6-dimethylquinazolin-2(3H)-ylidene]amino}methylidene]-2-(methylamino)benzamide
Smiles: CNc1ccccc1C(=O)/N=C(/N=c\1/nc2ccc(cc2c([nH]1)C)C)\N

STL039999
Synonyms: 1-(2-methylphenyl)-N-[(1E)-4-methylphthalazin-1(2H)-ylidene]-1H-benzimidazol-5-amine
Smiles: Cc1n[nH]/c(=N/c2ccc3c(c2)ncn3c2ccccc2C)/c2c1cccc2

STL040017
Synonyms: 1-[7-(2-ethoxyethyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]piperidine-4-carboxamide
Smiles: CCOCCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)C(=O)N

STL040035
Synonyms: methyl[(2Z)-2-{[N-(3-methylphenyl)carbamimidoyl]imino}-6-oxo-1,2,3,6-tetrahydropyrimidin-4-yl]acetate
Smiles: COC(=O)Cc1cc(=O)[nH]/c(=N\C(=N)Nc2cccc(c2)C)/[nH]1

STL040052
Synonyms: 4-(4-ethoxyphenyl)-7-hydroxy-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O

STL040053
Synonyms: N-[(2Z)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]-2-(morpholin-4-yl)acetamide
Smiles: CC1CCc2c(C1)s/c(=N\C(=O)CN1CCOCC1)/[nH]2

STL040058
Synonyms: 4-[2-hydroxy-3-(2-hydroxy-4,4-dimethyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl)propyl]morpholin-4-ium
Smiles: OC(CN1C(=NC(C1=O)(C)C)O)C[NH+]1CCOCC1

STL040065
Synonyms: N,N'-3,7-dihydrobenzo[1,2-d:4,5-d']bis[1,3]thiazole-2,6-diylidenediacetamide
Smiles: CC(=O)/N=c\1/sc2c([nH]1)cc1c(c2)[nH]/c(=N\C(=O)C)/s1

STL040073
Synonyms: 2-methoxy-4-{[2-(morpholin-4-ium-4-yl)ethoxy]carbonyl}phenolate
Smiles: COc1cc(ccc1[O-])C(=O)OCC[NH+]1CCOCC1

STL040091
Synonyms: 2-[(2E)-1,3-benzoxazol-2(3H)-ylideneamino]-1-methylquinazolin-4(1H)-one
Smiles: Cn1c(/N=c\2/oc3c([nH]2)cccc3)nc(=O)c2c1cccc2

STL040093
Synonyms: 3,5-dichloro-N-[(4E)-2-(pyridin-4-yl)quinazolin-4(3H)-ylidene]aniline
Smiles: Clc1cc(Cl)cc(c1)/N=c\1/[nH]c(nc2c1cccc2)c1ccncc1

STL040094
Synonyms: (5E)-2-hydroxy-5-{[(2-phenylethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione
Smiles: OC1=NC(=O)/C(=C/NCCc2ccccc2)/C(=O)N1

STL040101
Synonyms: N-[4-hydroxy-2,6-dioxo-1-phenyl-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2-dimethylpropanamide
Smiles: O=C(C(C)(C)C)NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccccc1)C(F)(F)F

STL040106
Synonyms: 4-{(E)-[(4-methoxy-2-nitrophenyl)imino]methyl}-3-methyl-1-phenyl-1H-pyrazol-5-ol
Smiles: COc1ccc(c(c1)[N+](=O)[O-])/N=C/c1c(C)nn(c1O)c1ccccc1

STL040113
Synonyms: 4-(2,4-dichlorophenyl)-7-hydroxy-1-(pentan-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1Cl)Cl)CC

STL040122
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanehydrazide
Smiles: O=C(CCc1c(C)[nH]nc1O)N/N=C/1\C(=O)Nc2c1cc(Br)cc2

STL040123
Synonyms: N-{5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide
Smiles: CC(=O)Nc1nnc([nH]1)SCc1ccc(cc1Cl)Cl

STL040125
Synonyms: N-[(2Z)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]benzamide
Smiles: O=C(c1ccccc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)(C)C

STL040126
Synonyms: 5-[(5-methyl-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-5-oxopentanoicacid
Smiles: O=C(Nc1[nH]c2=NC(=CC(n2n1)c1ccccc1)C)CCCC(=O)O

STL040136
Synonyms: 2-(1,3-benzothiazol-3-ium-2-ylamino)-6-phenylpyrimidine-4-carboxylate
Smiles: [O-]C(=O)c1nc(Nc2sc3c([nH+]2)cccc3)nc(c1)c1ccccc1

STL040139
Synonyms: 3-{(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1

STL040143
Synonyms: 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoicacid
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCC(=O)O

STL040144
Synonyms: N-[7-(4-chlorophenyl)-5-methyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
Smiles: Clc1ccc(cc1)C1C=C(C)N=c2n1nc([nH]2)NC(=O)c1ccco1

STL040149
Synonyms: 3,4-dimethyl-N-[(7Z)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-ylidene]aniline
Smiles: Cc1c/c(=N/c2ccc(c(c2)C)C)/n2c([nH]1)ncn2

STL040172
Synonyms: ethyl4-{[(E)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C=C/1\C(=NC(=NC1=O)S)O

STL040181
Synonyms: 4-tert-butyl-N-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1ccc(cc1)C(C)(C)C)C

STL040183
Synonyms: 4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-9-ium-2(3H)-ylidene)methyl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)/C=c/1\sc2n(c1=O)c1c([nH+]2)cccc1

STL040186
Synonyms: 5-[(4Z)-4-(1,3-benzodioxol-5-ylimino)-3,4-dihydrophthalazin-1-yl]-2-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)N)c1n[nH]/c(=N\c2ccc3c(c2)OCO3)/c2c1cccc2

STL040192
Synonyms: 6-{[4-(6-methyl-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)c1nc2ccc(cc2c(n1)c1ccccc1)C

STL040201
Synonyms: 4,6,6-trimethyl-3-(2-phenylethyl)-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol
Smiles: SC1=NC(C)(C)CC(N1CCc1ccccc1)(C)O

STL040204
Synonyms: (E)-[2-(4-methoxyphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)c1cccc[nH+]1)/[O-]

STL040213
Synonyms: 6-ethyl-4-oxo-3-(2-phenyl-1,3-thiazol-3-ium-4-yl)-4H-chromen-7-olate
Smiles: CCc1cc2c(cc1[O-])occ(c2=O)c1csc([nH+]1)c1ccccc1

STL040224
Synonyms: N-[(2Z)-5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]thiophene-2-carboxamide
Smiles: CCOc1cccc(c1)c1n[nH]/c(=N/C(=O)c2cccs2)/s1

STL040231
Synonyms: (2E)-2-[(2-chlorophenyl)imino]-5,5-dimethyl-2,3,5,6-tetrahydro-1,3-benzothiazol-7(4H)-one
Smiles: O=C1CC(C)(C)Cc2c1s/c(=N/c1ccccc1Cl)/[nH]2

STL040233
Synonyms: (6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methylthiophene-2-carboxylate
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)COC(=O)c1cccs1

STL040241
Synonyms: (E)-[2-(2-chlorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1Cl)c1nccc[nH+]1)/c1ccccc1

STL040245
Synonyms: 4-chloro-2-{[(1-methyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: Clc1ccc(c(c1)CNc1[nH+]c2c(n1C)cccc2)[O-]

STL040254
Synonyms: methyl(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-hydroxy-4,5-dioxo-1-phenylprolinate
Smiles: COC(=O)C1(O)N(c2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/O

STL040271
Synonyms: (5E)-1-(4-methoxyphenyl)-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCN2CCOCC2)/C1=O)S

STL040285
Synonyms: (5E)-3-(4-fluorophenyl)-6-hydroxy-5-({1-[2-(2-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cccn2CCOc2ccccc2C)/C1=O)O

STL040287
Synonyms: (E)-{2-(4-tert-butylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccc(cc1)C(C)(C)C

STL040295
Synonyms: 3-{[(3,4-dimethylphenyl)amino]methyl}quinolin-2(1H)-one
Smiles: Cc1ccc(cc1C)NCc1cc2ccccc2[nH]c1=O

STL040297
Synonyms: N-[(4E)-1-benzyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]-4-chloroaniline
Smiles: Clc1ccc(cc1)/N=c\1/nc[nH]c2c1cnn2Cc1ccccc1

STL040298
Synonyms: (2Z)-4-hydroxy-2-[2-(phenylcarbonyl)hydrazinylidene]-5,6-dihydro-2H-1,3-thiazine-6-carboxylicacid
Smiles: O=C(c1ccccc1)N/N=C/1\SC(CC(=N1)O)C(=O)O

STL040304
Synonyms: 1-(4-ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
Smiles: CCOc1ccc(cc1)N1C(=CC(N=C1S)(C)C)C

STL040316
Synonyms: 1-(morpholin-4-ylmethyl)-3-sulfanylquinoxaline-2(1H)-thione
Smiles: Sc1nc2ccccc2n(c1=S)CN1CCOCC1

STL040317
Synonyms: 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1F

STL040319
Synonyms: (8E)-8-{[4-(methoxycarbonyl)phenyl]imino}-5-oxo-6-(4-phenylpiperazin-4-ium-1-yl)-5,8-dihydronaphthalen-1-olate
Smiles: COC(=O)c1ccc(cc1)/N=C/1\C=C(N2CC[NH+](CC2)c2ccccc2)C(=O)c2c1c([O-])ccc2

STL040339
Synonyms: 5-benzyl-6-hydroxy-1-(2-methoxyphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(1H)-one
Smiles: COc1ccccc1n1c(SCC(=O)N2CCCCC2)nc(=O)c(c1O)Cc1ccccc1

STL040352
Synonyms: 3-[(1Z)-2-hydroxy-3,3-dimethylbut-1-en-1-yl]-6-nitroquinoxalin-2-ol
Smiles: O/C(=C\c1nc2cc(ccc2nc1O)[N+](=O)[O-])/C(C)(C)C

STL040354
Synonyms: (2E,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: COc1cc(ccc1O)/C=C/1\S/C(=N/c2ccccc2Cl)/N=C1O

STL040373
Synonyms: 4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1c(cccc1Cl)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STL040379
Synonyms: 4-{[(E)-(4-methylphenyl)methylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccnc1

STL040383
Synonyms: 8-hydroxy-7-[(6-hydroxy-8-oxo-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-7-yl)(pyridin-4-yl)methyl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: O=c1nc2SCCCn2c(c1C(c1c(O)nc2n(c1=O)CCCS2)c1ccncc1)O

STL040384
Synonyms: 2-{3-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-4-ium-5-yl}phenolate
Smiles: Oc1ccc(c(c1)O)/C=C/c1nn(c([nH+]1)c1ccccc1[O-])c1ccccc1

STL040385
Synonyms: 3-{[(2,5-dimethylphenyl)amino]methyl}-8-methylquinolin-2(1H)-one
Smiles: Cc1ccc(c(c1)NCc1cc2cccc(c2[nH]c1=O)C)C

STL040394
Synonyms: N-(4-chlorophenyl)-N-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-4-methylbenzenesulfonamide
Smiles: Clc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)C)/C(=N/c1nc(C)cc(n1)C)/N

STL040395
Synonyms: (5Z)-6-hydroxy-5-[(piperidin-1-ylamino)methylidene]-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C/NN2CCCCC2)/C1=O)O

STL040417
Synonyms: N-[(2E)-5-{[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]amino}-4-methyl-1,3-thiazol-2(3H)-ylidene]benzenesulfonamide
Smiles: COc1nc(NC(=O)Nc2s/c(=N/S(=O)(=O)c3ccccc3)/[nH]c2C)nc(c1)C

STL040421
Synonyms: 4-[5-(4-chlorophenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
Smiles: Clc1ccc(cc1)C1=CC(c2ccc(cc2)N(C)C)n2c(=N1)[nH]nn2

STL040431
Synonyms: {(3E)-2-(2-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1F

STL040434
Synonyms: 9-methyl-2-(4-methylpiperazin-1-yl)-3-[(Z)-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=NC1=O)S

STL040437
Synonyms: 1,3-dimethyl-7-(3-phenylpropyl)-8-thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCCc1ccccc1)c(=S)[nH]2

STL040441
Synonyms: ethyl(6-hydroxy-4,4,6-trimethyl-2-sulfanyl-5,6-dihydropyrimidin-1(4H)-yl)acetate
Smiles: CCOC(=O)CN1C(=NC(CC1(C)O)(C)C)S

STL040461
Synonyms: N-(3-chloro-4-methylphenyl)-6-hydroxy-2-(morpholin-4-yl)-4,5-dihydropyrimidine-4-carboxamide
Smiles: O=C(C1CC(=NC(=N1)N1CCOCC1)O)Nc1ccc(c(c1)Cl)C

STL040467
Synonyms: N-[(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(4-methoxyphenoxy)acetamide
Smiles: COc1ccc(cc1)OCC(=O)/N=c/1\[nH]nc(s1)c1ccc(c(c1)OC)OC

STL040474
Synonyms: 4-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
Smiles: NS(=O)(=O)c1ccc(cc1)CCNc1ncnc2c1oc1c2cccc1

STL040501
Synonyms: N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
Smiles: O=C(Nc1[nH]c2=NC(=O)CC(n2n1)c1ccccc1)CCc1ccccc1

STL040503
Synonyms: N-[(3Z)-1-butyl-6-methoxy-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-phenoxyacetamide
Smiles: CCCCn1[nH]/c(=N\C(=O)COc2ccccc2)/c2c1nc1ccc(cc1c2)OC

STL040505
Synonyms: (5E)-5-{1-[(3-fluorophenyl)amino]propylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1cccc(c1)F

STL040515
Synonyms: 3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-methoxyquinolin-2(1H)-one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)c1noc(n1)c1ccc(cc1)F

STL040516
Synonyms: 4-[(4-chlorophenyl)amino]-4-oxo-3-(pyrrolidinium-1-yl)butanoate
Smiles: O=C(C([NH+]1CCCC1)CC(=O)[O-])Nc1ccc(cc1)Cl

STL040517
Synonyms: 5-ethyl-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-6-methylpyrimidin-4-ol
Smiles: COc1ccc2c(c1)nc(nc2C)Nc1nc(C)c(c(n1)O)CC

STL040519
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-naphthalen-1-ylmethylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N/N=C/c1cccc2c1cccc2

STL040526
Synonyms: N-[(2-chlorobenzyl)carbamoyl]valine
Smiles: O=C(NC(C(=O)O)C(C)C)NCc1ccccc1Cl

STL040533
Synonyms: N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-(naphthalen-2-yloxy)acetamide
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1)COc1ccc2c(c1)cccc2

STL040548
Synonyms: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCCC1)O

STL040564
Synonyms: methyl[(5E)-5-{[(4-nitrophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
Smiles: COC(=O)Cc1n[nH]/c(=N\C(=O)c2ccc(cc2)[N+](=O)[O-])/s1

STL040565
Synonyms: N-[(4E)-2-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]-2-methoxy-5-methylaniline
Smiles: CCc1[nH]/c(=N/c2cc(C)ccc2OC)/c2c(n1)c1ccccc1o2

STL040581
Synonyms: 3-({(1Z)-1-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)benzoicacid
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C(/Nc2cccc(c2)C(=O)O)\C)/C1=O)O

STL040589
Synonyms: (4E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccc(c(c1)OCC)OCC=C

STL040595
Synonyms: 3-(4-phenoxyphenyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-imine5,5-dioxide
Smiles: N=C1SC2C(N1c1ccc(cc1)Oc1ccccc1)CS(=O)(=O)C2

STL040610
Synonyms: (2E)-3-(4-carboxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(cc1)C(=O)O)/Sc1[nH]nc([nH+]1)C

STL040630
Synonyms: 2-hydroxy-5-[(2Z)-2-(2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)hydrazinyl]benzoicacid
Smiles: OC1=NC(=O)/C(=N\Nc2ccc(c(c2)C(=O)O)O)/C(=O)N1

STL040633
Synonyms: 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: CNc1cc(Cl)c2c(c1[N+](=O)[O-])non2

STL040634
Synonyms: 2-ethyl-N-[3-(1H-imidazol-1-yl)propyl][1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCc1nc(NCCCn2cncc2)c2c(n1)c1ccccc1o2

STL040642
Synonyms: 6-nitro-2H-chromene-2-thione
Smiles: S=c1ccc2c(o1)ccc(c2)[N+](=O)[O-]

STL040644
Synonyms: {(6Z)-4-amino-6-[(4-methoxyphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-yl}methylcyclohexyl(methyl)carbamodithioate
Smiles: COc1ccc(cc1)/N=c\1/[nH]c(CSC(=S)N(C2CCCCC2)C)nc(n1)N

STL040653
Synonyms: 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL040655
Synonyms: N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(s1)C)N/N=C(/c1ccc(cc1)O)\C

STL040669
Synonyms: {[4-ammonio-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1nnc(n1[NH3+])c1ccc(cc1)C

STL040672
Synonyms: (5E)-5-{[(2-ammoniocyclohexyl)amino]methylidene}-1-(4-methoxyphenyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\NC2CCCCC2[NH3+])/C1=O)[S-]

STL040688
Synonyms: 2-(dioxidophosphorothioyl)-2,3-dihydro-1H-indene-1-carboxylate
Smiles: [O-]C(=O)C1c2ccccc2CC1P(=S)([O-])[O-]

STL040700
Synonyms: (5E)-1-(4-fluorobenzyl)-5-{[(3-hydroxypropyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: OCCCN/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S

STL040707
Synonyms: N-[(2E)-6-(piperidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]pyridine-4-carboxamide
Smiles: O=C(c1ccncc1)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCCCC1

STL040711
Synonyms: 2-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol
Smiles: COc1ccc2c(c1)c(cc(n2)C)Nc1ccccc1O

STL040715
Synonyms: 2-[(E)-{[2-(hydroxymethyl)-1H-3,1-benzimidazol-3-ium-1-yl]imino}methyl]-4-nitrophenolate
Smiles: OCc1[nH+]c2c(n1/N=C/c1cc(ccc1[O-])[N+](=O)[O-])cccc2

STL040724
Synonyms: N'-{(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)CC=C)O)/C

STL040726
Synonyms: 5-(1H-indol-3-yl)-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1c[nH]c2c1cccc2)N/N=C/c1ccccn1

STL040728
Synonyms: 6-methoxy-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)c1noc(n1)c1cccc(c1)C

STL040733
Synonyms: 6-hydroxy-3-methyl-8-(morpholin-4-yl)-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(CCSc1ncccn1)c(n2)N1CCOCC1)C

STL040736
Synonyms: methylN-[(4-fluorobenzyl)carbamoyl]methioninate
Smiles: COC(=O)C(NC(=O)NCc1ccc(cc1)F)CCSC

STL040737
Synonyms: (2Z)-2-[(2,4-dimethylphenyl)imino]-7-(4-fluorophenyl)-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Fc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1C)C)/nc2

STL040743
Synonyms: (2E)-3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1cc(ccc1OCc1ccccc1Cl)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL040748
Synonyms: 2-[4-(3-ethoxyphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: CCOc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL040751
Synonyms: N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxypropanamide
Smiles: O=C(C(Oc1ccccc1)C)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1

STL040755
Synonyms: 2-[4-(2-methoxy-4-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: COc1cc(C)ccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL040756
Synonyms: (5Z)-5-[(benzylamino)methylidene]-3-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C\NCc1ccccc1)c1cccc(c1C)C

STL040768
Synonyms: 6-hydroxy-3-methyl-7-(3-methylbutyl)-8-(3-methylpiperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(CCn1c(nc2c1c(O)nc(=O)n2C)N1CCCC(C1)C)C

STL040771
Synonyms: 4-fluoro-N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Fc1ccc(cc1)C(=O)/N=c\1/[nH]nc(s1)Cc1c[nH]c2c1cccc2

STL040778
Synonyms: 2-(methoxycarbonyl)-3-methyl-2-azabicyclo[2.2.2]oct-7-ene-5,6-dicarboxylicacid
Smiles: COC(=O)N1C(C)C2C=CC1C(C2C(=O)O)C(=O)O

STL040784
Synonyms: 5,5'-sulfinylbis(6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione)
Smiles: O=S(c1c(O)n(C)c(=O)n(c1=O)C)c1c(O)n(C)c(=O)n(c1=O)C

STL040787
Synonyms: 3-chloro-N-[(2Z)-3-[(4-fluorobenzyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Fc1ccc(cc1)CNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)Cl

STL040788
Synonyms: 2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C)CSc1nc(O)cc(n1)c1ccccc1

STL040794
Synonyms: 6-hydroxy-5-[(5-methylthiophen-2-yl)methyl]-5-[2-(pyridin-4-yl)ethyl]pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1NC(=O)C(C(=N1)O)(CCc1ccncc1)Cc1ccc(s1)C

STL040801
Synonyms: methylN-(pyrrolidin-1-ylcarbonyl)isoleucinate
Smiles: CCC(C(C(=O)OC)NC(=O)N1CCCC1)C

STL040805
Synonyms: (2Z)-3-(5-chloro-2-ethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1ccc(cc1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C)Cl

STL040813
Synonyms: (5E)-6-hydroxy-3-phenyl-5-[1-(2-phenylhydrazinyl)ethylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: C/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O)/NNc1ccccc1

STL040818
Synonyms: 3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: Cc1ccc(cc1)c1onc(n1)c1cc2ccccc2[nH]c1=O