FULL DB

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

STK563113
Synonyms: (E)-{2-(3-chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: Clc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

STK563114
Synonyms: (2E,5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-[(2-methylphenyl)imino]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: CCOc1cc(ccc1O)/C=C/1\S/C(=N/c2ccccc2C)/N=C1O

STK846589
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2Z)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]acetamide
Smiles: O=C(/N=c/1\ncc2c([nH]1)CC(CC2=O)(C)C)CSc1nc2c(s1)cccc2

STK563124
Synonyms: 5-(4-bromophenyl)-7-(4-chlorophenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)Br

STK563127
Synonyms: ethyl5-cyano-2-hydroxy-4-(2-methoxyphenyl)-6-{[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl}-3,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=NC(=C(C1c1ccccc1OC)C#N)SCC(=O)Nc1ccc2c(c1)cccc2)O

STK563143
Synonyms: N'-{(Z)-[4-hydroxy-1-(4-iodophenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: Ic1ccc(cc1)N1C(=O)N=C(/C(=C/NNC(=O)c2ccncc2)/C1=O)O

STK563144
Synonyms: (4E)-5-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OC)\O)/C(=O)C(=O)N1Cc1ccco1

STK563146
Synonyms: (2Z)-2-[(6-methoxy-4-methylquinazolin-2-yl)imino]-6-propyl-1,2-dihydropyrimidin-4-ol
Smiles: CCCc1cc(O)n/c(=N\c2nc(C)c3c(n2)ccc(c3)OC)/[nH]1

STK563159
Synonyms: 2-(4-{[(1E)-4-[3-(dimethylsulfamoyl)-4-methylphenyl]phthalazin-1(2H)-ylidene]amino}phenoxy)acetamide
Smiles: NC(=O)COc1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N(C)C)C

STK563160
Synonyms: (E)-(4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCC)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK563161
Synonyms: 5-[(5,7-diphenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-5-oxopentanoicacid
Smiles: O=C(Nc1nn2c(=NC(=CC2c2ccccc2)c2ccccc2)[nH]1)CCCC(=O)O

STK563168
Synonyms: 8-(ethylamino)-6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCNc1nc2c(n1Cc1cccc3c1cccc3)c(O)nc(=O)n2C

STK846597
Synonyms: N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)/N=c\1/[nH]nc(s1)Cc1c[nH]c2c1cccc2

STK846599
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylphenyl)pyridine-3-carboxamide
Smiles: O=C(N(c1ccccc1C)Cc1cc2cccc(c2[nH]c1=O)C)c1cccnc1

STK563188
Synonyms: 4-{(3E)-2-(4-hydroxy-3-methoxyphenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoicacid
Smiles: COc1cc(ccc1O)C1N(CCCC(=O)O)C(=O)C(=O)/C/1=C(\c1ccc(cc1)C)/O

STK846600
Synonyms: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-{[(2Z)-6-methoxy-4-methylquinazolin-2(3H)-ylidene]amino}pyrimidin-4(1H)-one
Smiles: COc1ccc2c(c1)c(C)[nH]/c(=N/c1nc(=O)cc([nH]1)CSc1nc3c(s1)cccc3)/n2

STK563190
Synonyms: ethyl(2E)-4-methyl-2-[(2-phenylbutanoyl)imino]-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N/C(=O)C(c2ccccc2)CC)/[nH]c1C

STK563196
Synonyms: N-[5-(diethylamino)pentan-2-yl]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: CCN(CCCC(NC(=O)c1c(O)nc2c(c1O)CCCC2)C)CC

STK563197
Synonyms: 4-{[(2E)-4-chloro-6-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino}-1,3,5-triazin-2(1H)-ylidene]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide
Smiles: Clc1nc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)[nH]/c(=N\c2ccc(cc2)S(=O)(=O)Nc2nccs2)/n1

STK846605
Synonyms: 1,2-dimethyl-N-[(1Z)-4-(4-methylphenyl)phthalazin-1(2H)-ylidene]-1H-benzimidazol-5-amine
Smiles: Cc1ccc(cc1)c1n[nH]/c(=N\c2ccc3c(c2)nc(n3C)C)/c2c1cccc2

STK563204
Synonyms: ethyl2-(2-amino-4-hydroxy-6-methylpyrimidin-5-yl)propanoate
Smiles: CCOC(=O)C(c1c(C)nc(nc1O)N)C

STK563207
Synonyms: ethyl(3-sulfanyl-1,2,4-triazaspiro[4.7]dodec-3-en-2-yl)acetate
Smiles: CCOC(=O)CN1NC2(N=C1S)CCCCCCC2

STK563209
Synonyms: 4-(1,3-benzodioxol-5-yl)-2-(benzylsulfanyl)-5-oxo-4,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)N=C2C(C1c1ccc3c(c1)OCO3)C(=O)CCC2

STK563214
Synonyms: 4-(4-bromophenyl)-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)Br)CC

STK563216
Synonyms: 6-chloro-4-phenyl-3-(piperidin-1-yl)-3,4-dihydroquinolin-2-ol
Smiles: Clc1ccc2c(c1)C(c1ccccc1)C(C(=N2)O)N1CCCCC1

STK846607
Synonyms: N-[(2E)-5,6-dimethyl-4-oxo-1,4-dihydro-2H-thieno[2,3-d][1,3]thiazin-2-ylidene]benzamide
Smiles: O=C(c1ccccc1)/N=c\1/sc(=O)c2c([nH]1)sc(c2C)C

STK563221
Synonyms: N-{(2E)-1-[2-(4-bromophenoxy)ethyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}thiophene-2-carboxamide
Smiles: Brc1ccc(cc1)OCCn1/c(=N/C(=O)c2cccs2)/[nH]c2c1cccc2

STK563226
Synonyms: 1-(4-methylphenyl)-N-(naphthalen-2-yl)-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Smiles: Cc1ccc(cc1)n1ncc2c1NC=NC2Nc1ccc2c(c1)cccc2

STK563235
Synonyms: 2-chloro-N-[4-hydroxy-1-(2-methylpropyl)-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Smiles: ClCC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2CC(C)C)C(F)(F)F

STK563236
Synonyms: [3-(3-chlorophenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](phenyl)methanone
Smiles: Cc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)c1cccc(c1)Cl

STK563238
Synonyms: 4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)ccc1/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK563241
Synonyms: (5Z)-5-[4-(diethylamino)benzylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN(c1ccc(cc1)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)F)S)CC

STK563248
Synonyms: 4-(3-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: Cc1cccc(c1)n1c(=O)c2c3CCCCc3sc2n2c1n[nH]c2=S

STK563249
Synonyms: (5Z)-1-(4-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C/c2ccco2)/C1=O)S

STK846613
Synonyms: 2-(pyridin-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Smiles: Oc1nc(nc2c1c1CCCCc1s2)c1cccnc1

STK846615
Synonyms: (5Z)-2-[(4-fluorophenyl)amino]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)F

STK563261
Synonyms: 8-(3-methylphenyl)-9-thioxo-5,8,9,10-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: Cc1cccc(c1)n1c(=S)[nH]c2c(c1=O)c1CCc3c(c1s2)cccc3

STK563271
Synonyms: 7-methyl-3-[(propan-2-ylamino)methyl]quinolin-2(1H)-one
Smiles: CC(NCc1cc2ccc(cc2[nH]c1=O)C)C

STK846617
Synonyms: 4-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cn1cccc1/C=N/n1c(=S)[nH]nc1c1ccccc1

STK563285
Synonyms: 5-(4-chlorophenyl)-4,6-dihydroxy-1,5-dihydro-2H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-2-one
Smiles: Clc1ccc(cc1)C1c2c(O)nc(=O)[nH]c2N=C2C1=C(O)c1c2cccc1

STK563302
Synonyms: 3-[(2,5-dimethoxyphenyl)carbonyl]-4-[(dimethylammonio)methyl]-1-benzofuran-5-olate
Smiles: COc1ccc(c(c1)C(=O)c1coc2c1c(C[NH+](C)C)c(cc2)[O-])OC

STK563304
Synonyms: (5Z)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-hydroxy-1-(4-methylphenyl)pyrimidine-4,6(1H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=NC(=O)/C(=C/c2oc(c(c2)Br)Br)/C1=O)O

STK563307
Synonyms: (4Z)-1-(4-ethoxyphenyl)-5-hydroxy-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)N1C(=O)C(=O)/C(=C(/c2ccccc2)\O)/C1(O)c1ccccc1

STK846620
Synonyms: N-(2,3-dichlorophenyl)-2-hydroxy-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: C=CCn1c(O)c(C(=O)Nc2cccc(c2Cl)Cl)c(=O)c2c1cccc2

STK563314
Synonyms: 1-(2-methoxyphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: COc1ccccc1NC(=O)/N=c\1/[nH]nc(s1)C

STK846624
Synonyms: 5-{(4E)-4-[(4-fluorophenyl)imino]-3,4-dihydrophthalazin-1-yl}-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: Fc1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCC1CCCO1)C

STK563320
Synonyms: 2-ethyl-5-oxo-5-{[(3Z)-1-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]amino}pentanoicacid
Smiles: CCC(C(=O)O)CCC(=O)/N=c\1/ccn([nH]1)c1ccccc1

STK563325
Synonyms: (1-{2-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]-2-oxoethyl}cyclopentyl)acetate
Smiles: [O-]C(=O)CC1(CCCC1)CC(=O)N1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1)C

STK563330
Synonyms: (2E)-2-[(6-chloro-4-phenylquinazolin-2-yl)imino]-6-propyl-1,2-dihydropyrimidin-4-ol
Smiles: CCCc1cc(O)n/c(=N/c2nc3ccc(cc3c(n2)c2ccccc2)Cl)/[nH]1

STK563335
Synonyms: (2Z)-3-(4-chlorophenyl)-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(cc1)Cl)O

STK563336
Synonyms: 7-butyl-6-hydroxy-3-methyl-8-(methylamino)-3,7-dihydro-2H-purin-2-one
Smiles: CNc1nc2c(n1CCCC)c(O)nc(=O)n2C

STK563346
Synonyms: (5Z)-1-(2-chlorophenyl)-2-sulfanyl-5-(thiophen-2-ylmethylidene)pyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\c1cccs1)c1ccccc1Cl

STK563350
Synonyms: 7-(2-chlorobenzyl)-8-[4-(3-chlorophenyl)piperazin-1-yl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Clc1cccc(c1)N1CCN(CC1)c1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C

STK563351
Synonyms: (5Z)-3-hexyl-6-hydroxy-5-[(piperidin-1-ylamino)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: CCCCCCN1C(=O)N=C(/C(=C/NN2CCCCC2)/C1=O)O

STK563357
Synonyms: (E)-[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-]

STK563360
Synonyms: (4E)-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccccc1F

STK563378
Synonyms: ethyl[8-(2-methylbutan-2-yl)-3-sulfanyl-1,2,4-triazaspiro[4.5]dec-3-en-2-yl]acetate
Smiles: CCOC(=O)CN1NC2(N=C1S)CCC(CC2)C(CC)(C)C

STK563384
Synonyms: 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylpyridine-3-carboxamide
Smiles: N#Cc1c(S)nc(c(c1c1ccco1)C(=O)Nc1ccccc1C)C

STK563385
Synonyms: 6-hydroxy-3-methyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(CCCc1ccccc1)c(n2)SCCN1CCOCC1)C

STK563388
Synonyms: (5E)-1-(2-methoxyphenyl)-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C\NCCN2CCOCC2)/C1=O)S

STK563390
Synonyms: (3Z)-5-ethyl-3-[(2E)-(4-hydroxy-1,3-thiazol-2(5H)-ylidene)hydrazinylidene]-1-methyl-1,3-dihydro-2H-indol-2-one
Smiles: CN1C(=O)/C(=N\N=C/2\SCC(=N2)O)/c2c1ccc(c2)CC

STK563392
Synonyms: methyl3-{[(4E)-2-(pyridin-4-yl)quinazolin-4(3H)-ylidene]amino}benzoate
Smiles: COC(=O)c1cccc(c1)/N=c\1/[nH]c(nc2c1cccc2)c1ccncc1

STK563393
Synonyms: (E)-{2-(2,4-dichlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(furan-2-yl)methanolate
Smiles: Clc1ccc(c(c1)Cl)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccco1)/[O-]

STK846633
Synonyms: N-(2-fluorobenzyl)-3-hydroxy-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide
Smiles: Fc1ccccc1CNC(=O)c1c(=O)c2cccc3c2n(c1O)CCC3

STK563396
Synonyms: {4-[(E)-(2-hydroxy-4,6-dioxo-1-phenyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccc(cc1)/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1)O

STK563398
Synonyms: 4-{(3E)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}butanoicacid
Smiles: OC(=O)CCCN1C(c2ccccc2)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O

STK563401
Synonyms: 6-chloro-10-(4-ethylphenyl)-4-hydroxypyrimido[4,5-b]quinolin-2(10H)-one
Smiles: CCc1ccc(cc1)n1c2cccc(c2cc2c1nc(=O)nc2O)Cl

STK563404
Synonyms: (5Z)-6-hydroxy-3-(4-methoxybenzyl)-5-[(piperidin-1-ylamino)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)CN1C(=O)N=C(/C(=C/NN2CCCCC2)/C1=O)O

STK563411
Synonyms: 4-(methylsulfanyl)-2-[(5Z)-4-oxo-5-(pyridinium-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Smiles: CSCCC(N1C(=S)S/C(=C\c2ccc[nH+]c2)/C1=O)C(=O)[O-]

STK563413
Synonyms: (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCN(CCCN/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O)CC

STK846637
Synonyms: 2-(4-chlorophenyl)-5,5-dipropyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Smiles: CCCC1(CCC)NN(C(=N1)S)c1ccc(cc1)Cl

STK563426
Synonyms: (E)-(4-chlorophenyl)[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccccc1C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK846640
Synonyms:
Smiles: COc1cc(NS(=O)(=O)c2cccc3c2nsn3)c2c(c1)cccn2

STK563428
Synonyms: (2Z)-3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-en-1-ylmorpholine-4-carbodithioate
Smiles: N#C/C(=C(\CSC(=S)N1CCOCC1)/O)/c1nc2c([nH]1)cccc2

STK563429
Synonyms: (5E)-3-(4-fluorobenzyl)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C\NCCCn2cncc2)/C1=O)O

STK563439
Synonyms: 2-{[(2E)-3-(1H-3,1-benzimidazol-3-ium-2-yl)prop-2-enoyl]carbamoyl}phenolate
Smiles: O=C(NC(=O)c1ccccc1[O-])/C=C/c1[nH]c2c([nH+]1)cccc2

STK846642
Synonyms: (1E)-1-[(4-ethoxyphenyl)imino]-3-methyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCOc1ccc(cc1)/N=c/1\cc(C)c(c2n1c1ccccc1[nH]2)C#N

STK846645
Synonyms: 4-(2-phenylethyl)-5-(3,4,5-triethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cc(cc(c1OCC)OCC)c1n[nH]c(=S)n1CCc1ccccc1

STK846646
Synonyms: 2-(2,2,2-trifluoro-1-hydroxyethyl)phenol
Smiles: Oc1ccccc1C(C(F)(F)F)O

STK563480
Synonyms: 2-amino-8-(piperidin-1-yl)-7H-purin-6-ol
Smiles: Nc1nc2nc([nH]c2c(n1)O)N1CCCCC1

STK563485
Synonyms: 1-[(2Z)-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-methoxyphenyl)urea
Smiles: CCOCCc1n[nH]/c(=N/C(=O)Nc2ccccc2OC)/s1

STK563487
Synonyms: 1-[(2Z)-5-benzyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylurea
Smiles: O=C(/N=c\1/[nH]nc(s1)Cc1ccccc1)Nc1ccccc1

STK563490
Synonyms: 2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-ylacetate
Smiles: CC(=O)OC1N=C(c2ccccc2)c2c(N=C1O)cccc2

STK846651
Synonyms: 2-{[(2Z)-6-ethoxy-4-methylquinazolin-2(3H)-ylidene]amino}-1,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Smiles: CCOc1ccc2c(c1)c(C)[nH]/c(=N/c1nc(=O)c3c([nH]1)CCC3)/n2

STK563497
Synonyms: N-cyclohexyl-3-hydroxy-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide
Smiles: O=C(c1c(=O)c2cccc3c2n(c1O)CCC3)NC1CCCCC1

STK563509
Synonyms: methyl(2Z)-[(2E)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-1-(4-methoxyphenyl)-5-oxoimidazolidin-4-ylidene]ethanoate
Smiles: COC(=O)/C=C/1\N/C(=N\c2nc(C)cc(n2)C)/N(C1=O)c1ccc(cc1)OC

STK563516
Synonyms: 2-(7-oxo-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Smiles: O=C1C2CC=CCC2C(=O)N1c1nn2c([nH]1)nc(cc2=O)c1ccccc1

STK563521
Synonyms: 7-(2-ethoxyethyl)-6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CCOCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)C

STK846657
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-propylacetamide
Smiles: CCCN(C(=O)C)Cc1cc2ccccc2[nH]c1=O

STK563526
Synonyms: (2-oxo-1,2-dihydroquinolin-3-yl)methyl3-nitrobenzoate
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])OCc1cc2ccccc2[nH]c1=O

STK563531
Synonyms: 7-benzyl-6-hydroxy-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(Cc1ccccc1)c(n2)N1CCNCC1)C

STK846658
Synonyms: 4-hydroxy-2-oxo-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)CCCC2)/N=c/1\[nH]nc(s1)C(C)C

STK563545
Synonyms: 4-(4-methoxyphenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)n1c(n[nH]c1=S)[C@@H]1C[C@H]1c1ccccc1

STK846662
Synonyms: N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
Smiles: O=C(c1sc2c(c1)c(nn2c1ccccc1)C)Nc1c(C)n[nH]c1C

STK846664
Synonyms: (2E,5Z)-2-[(3,5-dichlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: COc1cc(ccc1O)/C=C/1\S/C(=N/c2cc(Cl)cc(c2)Cl)/N=C1O

STK563559
Synonyms: N-(2-methoxyphenyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-4-carboxamide
Smiles: COc1ccccc1N(C(=O)c1ccncc1)Cc1cc2cc(C)ccc2[nH]c1=O

STK563563
Synonyms: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]-6-hydroxy-2-sulfanylpyrimidin-4(3H)-one
Smiles: CC(=O)N1CCc2c(C1c1c(O)nc(n(c1=O)CCC1=CCCCC1)S)cccc2

STK563575
Synonyms: 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)F

STK846667
Synonyms: 1-(3,4-dimethylphenyl)-3-[(2E)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: Cc1ccc(c(c1)OCc1n[nH]/c(=N\C(=O)Nc2ccc(c(c2)C)C)/s1)C(C)C

STK563584
Synonyms: 4-{[7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl]oxy}-4-oxobutanoicacid
Smiles: O=C(OC1N=C(c2c(N=C1O)ccc(c2)Br)c1ccccc1Cl)CCC(=O)O

STK846670
Synonyms: 2-methoxy-5-{[(1Z)-4-(4-methylphenyl)phthalazin-1(2H)-ylidene]amino}benzamide
Smiles: COc1ccc(cc1C(=O)N)/N=c/1\[nH]nc(c2c1cccc2)c1ccc(cc1)C

STK563599
Synonyms: N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Smiles: O=C(C1COc2c(O1)cccc2)/N=c\1/[nH]nc(s1)SCC(=O)c1ccccc1

STK563605
Synonyms: 4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(c(c1)Cl)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK563606
Synonyms: N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-2-(4-methoxyphenyl)-N-phenylacetamide
Smiles: COc1ccc(cc1)CC(=O)N(c1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O

STK563611
Synonyms: 2-[(2-butanoyl-3-oxocyclohex-1-en-1-yl)ammonio]propanoate
Smiles: CCCC(=O)C1=C(CCCC1=O)[NH2+]C(C(=O)[O-])C

STK563618
Synonyms: 2-[(5-{[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCC1

STK563626
Synonyms: N-[4-hydroxy-2,6-dioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
Smiles: CCCCC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2CCc1ccccc1)C(F)(F)F

STK563629
Synonyms: (E)-[2-(4-fluorophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-nitrophenyl)methanolate
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccc(cc2)[N+](=O)[O-])\[O-])/C(=O)C(=O)N1c1cccc[nH+]1

STK846676
Synonyms: N-[(4Z)-1-benzyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]-2-bromoaniline
Smiles: Brc1ccccc1/N=c/1\nc[nH]c2c1cnn2Cc1ccccc1

STK563639
Synonyms: 2-{[3-cyano-4-(2-ethoxyphenyl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(cc2)C)N=C2C1=C(O)CCC2)C#N

STK563645
Synonyms: 3-{(5Z)-5-[(6-ethoxy-2-hydroxyquinolin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoicacid
Smiles: CCOc1cc2cc(/C=C/3\SC(=S)N(C3=O)CCC(=O)O)c(nc2cc1)O

STK563650
Synonyms: 2,5-bis(3,5-dimethyl-1H-pyrazol-2-ium-1-yl)benzene-1,4-diolate
Smiles: [O-]c1cc(c(cc1n1[nH+]c(cc1C)C)[O-])n1[nH+]c(cc1C)C

STK563651
Synonyms: (4E)-1-(3-chloro-4-methylphenyl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(c(c1)Cl)C

STK563654
Synonyms: 5-(4-hydroxyphthalazin-1-yl)-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCC1CCCO1)c1nnc(c2c1cccc2)O

STK846680
Synonyms: 5-(furan-2-yl)-4-{[(E)-(5-methylfuran-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(o1)/C=N/n1c(=S)[nH]nc1c1ccco1

STK563656
Synonyms: {2-[(E)-{[3-(2,4-dichlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1Cl)Cl

STK846682
Synonyms: (5Z)-1-(2,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1N1C(=NC(=O)/C(=C/c2ccco2)/C1=O)S)OC

STK846686
Synonyms: ethyl{(4Z)-4-[(4-methylphenyl)imino]-3,4-dihydrophthalazin-1-yl}acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N\c2ccc(cc2)C)/c2c1cccc2

STK563672
Synonyms: 2-[(1H-3,1-benzimidazol-3-ium-2-ylamino)methyl]-4,6-dibromophenolate
Smiles: Brc1cc(CNc2[nH]c3c([nH+]2)cccc3)c(c(c1)Br)[O-]

STK563674
Synonyms: 1-(4-fluorophenyl)-6-hydroxy-2-sulfanylpyrimidin-4(1H)-one
Smiles: Fc1ccc(cc1)n1c(O)cc(=O)nc1S

STK563675
Synonyms: (4-{(E)-[1-(4-ethoxyphenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}phenoxy)aceticacid
Smiles: CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(cc2)OCC(=O)O)/C1=O)O

STK563680
Synonyms: 2-chloro-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)c1ccccc1Cl)C

STK846689
Synonyms: 1,5-dimethyl-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithiol
Smiles: CC1N=C(N2N1C(=NC2C)S)S

STK563690
Synonyms: (6Z)-6-[(2E)-(pyridin-2-ylmethylidene)hydrazinylidene]-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: c1ccc(nc1)/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2

STK563695
Synonyms: 1-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methylpiperazin-1-yl)ethanimidoyl]-3-(trifluoromethyl)-1H-pyrazol-5-ol
Smiles: CN1CCN(CC1)/N=C(/c1c(O)n(nc1C(F)(F)F)c1nc2c(s1)cccc2)\C

STK563696
Synonyms: N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-3-nitrobenzamide
Smiles: COc1ccc(cc1)N(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1cc2cc(C)ccc2[nH]c1=O

STK563698
Synonyms: 3-[(Z)-(5-hydroxy-2-sulfanyl-4H-imidazol-4-ylidene)methyl]quinolin-2(1H)-one
Smiles: SC1=N/C(=C\c2cc3ccccc3[nH]c2=O)/C(=N1)O

STK563705
Synonyms: N-(2-fluorophenyl)-3-hydroxy-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide
Smiles: Fc1ccccc1NC(=O)c1c(=O)c2cccc3c2n(c1O)CCC3

STK563706
Synonyms: N-methyl-2-(4-{[(1E)-4-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]phthalazin-1(2H)-ylidene]amino}phenoxy)acetamide
Smiles: CNC(=O)COc1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)C

STK563720
Synonyms: N-{(2E)-1-[2-(morpholin-4-yl)ethyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}propanamide
Smiles: CCC(=O)/N=c/1\[nH]c2c(n1CCN1CCOCC1)cccc2

STK846696
Synonyms: 7-hydroxy-1-(pentan-2-yl)-4-phenyl-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccccc1)C

STK563729
Synonyms: 6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CN1CCN(CC1)c1nc2c(n1CCCc1ccccc1)c(O)nc(=O)n2C

STK563735
Synonyms: (5E)-3-(4-fluorophenyl)-6-hydroxy-5-({1-[2-(2-methoxy-4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(C)ccc1OCCn1cccc1/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)F)O

STK846702
Synonyms: (5Z)-5-(2,5-dimethoxybenzylidene)-3-(4-fluorobenzyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1/C=C\1/C(=NC(=O)N(C1=O)Cc1ccc(cc1)F)O)OC

STK563738
Synonyms: 1-imino-4-(propan-2-yl)-7,8,9,9a-tetrahydro-1H-3,5a-epoxychromeno[3,4-c]pyrrole-3a,9b(4H,6H)-dicarbonitrile
Smiles: N#CC12C3=NC(=N)C2(C#N)C2C(O3)(OC1C(C)C)CCCC2

STK846703
Synonyms: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)C

STK563753
Synonyms: 1-[(4-methylpiperidinium-1-yl)methyl]naphthalen-2-olate
Smiles: CC1CC[NH+](CC1)Cc1c([O-])ccc2c1cccc2

STK563764
Synonyms: (2E)-2-[(8-methoxy-4-methylquinazolin-2-yl)imino]-1,2-dihydroquinazolin-4-ol
Smiles: COc1cccc2c1nc(/N=c\1/nc(O)c3c([nH]1)cccc3)nc2C

STK563775
Synonyms: (5E)-1-(4-methoxyphenyl)-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCCN2CCOCC2)/C1=O)S

STK563776
Synonyms: 6-(1H-benzimidazol-2-yl)pyridazin-3-ol
Smiles: Oc1ccc(nn1)c1nc2c([nH]1)cccc2

STK563780
Synonyms: (E)-[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: [O-]/C(=C/1\C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1ccc[nH+]c1)/c1ccccc1

STK563789
Synonyms: (5E)-5-{[(2-aminocyclohexyl)amino]methylidene}-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C\NC2CCCCC2N)/C1=O)O

STK846712
Synonyms: 3-(3-chloro-4-fluorophenyl)-2-{[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}-3,5-dihydro-4H-imidazol-4-one
Smiles: Cc1cc(C)[nH]/c(=N\C2=NCC(=O)N2c2ccc(c(c2)Cl)F)/n1

STK563794
Synonyms: 4-{(3E)-2-(4-ethoxyphenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoicacid
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1CCCC(=O)O

STK563796
Synonyms: 1-(4-fluorobenzyl)-4-hydroxy-5-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(=O)nc(c2c1NC(=O)C2(c1c(C)[nH]n(c1=O)c1ccccc1)C(F)(F)F)O

STK563797
Synonyms: (7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl3-nitrobenzoate
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)COC(=O)c1cccc(c1)[N+](=O)[O-]

STK563800
Synonyms: (5Z)-5-{[6-methoxy-2-(phenylsulfanyl)quinolin-3-yl]methylidene}-2-sulfanyl-1,3-thiazol-4(5H)-one
Smiles: COc1ccc2c(c1)cc(c(n2)Sc1ccccc1)/C=C/1\SC(=NC1=O)S

STK563806
Synonyms: {[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-2-ium-1-yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1[nH+]nc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3

STK563807
Synonyms: 2-(4-chlorophenyl)-1,2,4-triazaspiro[4.4]non-3-ene-3-thiol
Smiles: SC1=NC2(NN1c1ccc(cc1)Cl)CCCC2

STK563810
Synonyms: (E)-[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-]

STK563811
Synonyms: 4-tert-butyl-N-(2-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: O=C(N(c1ccccc1C)Cc1cc2ccccc2[nH]c1=O)c1ccc(cc1)C(C)(C)C

STK563814
Synonyms: 1-(3-{[(2E)-4-hydroxy-1,3-thiazol-2(5H)-ylidene]amino}phenyl)ethanone
Smiles: OC1=N/C(=N\c2cccc(c2)C(=O)C)/SC1

STK846718
Synonyms: N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)/N=c/1\[nH]nc(s1)C

STK563819
Synonyms: 6-(methoxymethyl)-2-{[(2Z)-4-methylquinazolin-2(3H)-ylidene]amino}pyrimidin-4(1H)-one
Smiles: COCc1cc(=O)nc([nH]1)/N=c/1\nc2ccccc2c([nH]1)C

STK563820
Synonyms: ethyl[(5-ethyl-4-hydroxy-5-methyl-5,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc(O)c2c(n1)c1ccccc1CC2(C)CC

STK563824
Synonyms: 5-ethyl-2-[(3-hydroxypropyl)amino]-5-methyl-5,6-dihydrobenzo[h]quinazolin-4-ol
Smiles: OCCCNc1nc(O)c2c(n1)c1ccccc1CC2(C)CC

STK563825
Synonyms: {[(3-ammonio-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}acetate
Smiles: [O-]C(=O)CNC(=O)c1sc2c(c1[NH3+])c(C)cc(n2)C

STK846720
Synonyms: 3-ethyl-2-methylpyrimido[1,2-a]benzimidazol-4(10H)-one
Smiles: CCc1c(C)nc2n(c1=O)c1ccccc1[nH]2

STK563839
Synonyms: (1Z)-4-chloro-1-{(2E)-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinylidene}-1,2-dihydrophthalazine
Smiles: COc1cc(ccc1OC)/C(=N/N=c/1\[nH]nc(c2c1cccc2)Cl)/C

STK563844
Synonyms: 2-{[2-(dimethylamino)ethyl]sulfanyl}-6-hydroxy-1,5-diphenylpyrimidin-4(1H)-one
Smiles: CN(CCSc1nc(=O)c(c(n1c1ccccc1)O)c1ccccc1)C

STK563845
Synonyms: 6-hydroxy-3-methyl-7-(1-phenylethyl)-8-(piperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(C(c1ccccc1)C)c(n2)N1CCNCC1)C

STK563857
Synonyms: 1-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]guanidine
Smiles: N/C(=N/C=C1C(=O)OC(OC1=O)(C)C)/N=c\1/sc2c([nH]1)cccc2

STK563869
Synonyms: 5-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-4-ium-1-yl}-5-oxopentanoate
Smiles: [O-]C(=O)CCCC(=O)N1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1Cl)Br

STK563877
Synonyms: (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)aceticacid
Smiles: OC(=O)Cn1cc(I)c(=O)nc1O

STK563883
Synonyms: 3-methoxy-N-(3-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1cccc(c1)C(=O)N(c1cccc(c1)C)Cc1cc2ccccc2[nH]c1=O

STK563886
Synonyms: (3-fluorophenyl)[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]methanone
Smiles: Cc1ccc(c(c1)O)c1[nH]ncc1C(=O)c1cccc(c1)F

STK846729
Synonyms: 2-methyl-5-{(4E)-4-[(3-methylphenyl)imino]-3,4-dihydrophthalazin-1-yl}benzenesulfonamide
Smiles: Cc1cccc(c1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N)C

STK563897
Synonyms: N-[7-(4-chlorophenyl)-5-methyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
Smiles: Clc1ccc(cc1)C1C=C(C)N=c2n1nc([nH]2)NC(=O)c1ccccc1

STK563899
Synonyms: 7-hydroxy-1-(propan-2-yl)-4-(4-propoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O

STK563907
Synonyms: N-[(2E)-5-{[(2E)-2-benzylidenehydrazinyl]carbonyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]benzenesulfonamide
Smiles: O=C(c1s/c(=N/S(=O)(=O)c2ccccc2)/[nH]c1C)N/N=C/c1ccccc1

STK563908
Synonyms: 2-[(4-methoxyphenyl)amino]pyridinium-3-carboxylate
Smiles: COc1ccc(cc1)Nc1[nH+]cccc1C(=O)[O-]

STK563914
Synonyms: 3-[(3E)-3-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]benzoicacid
Smiles: Cc1ccc(cc1)C1N(c2cccc(c2)C(=O)O)C(=O)C(=O)/C/1=C(\C=C\c1ccccc1)/O

STK563916
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: C[NH+](CCN1C(c2ccccc2)/C(=C(/c2c(C)nc3n2cccc3C)\[O-])/C(=O)C1=O)C

STK563921
Synonyms: 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: Clc1ccc(cc1)c1nn2c([nH]1)nc(cc2=O)C

STK563925
Synonyms: 1-[(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-methoxyphenyl)urea
Smiles: COc1cc(ccc1OC)c1n[nH]/c(=N\C(=O)Nc2ccccc2OC)/s1

STK563928
Synonyms: (2E)-4-{[(3E)-5-amino-1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-ylidene]amino}-4-oxobut-2-enoicacid
Smiles: O=C(/N=c/1\nc(n([nH]1)c1ccccc1)N)/C=C/C(=O)O

STK563930
Synonyms: N-[2-{(2E)-2-[(6-methylpyridin-2-yl)methylidene]hydrazinyl}-2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)ethyl]benzamide
Smiles: Cc1cccc(n1)/C=N/NC(=O)C(c1n[nH]c(=O)c2c1cccc2)NC(=O)c1ccccc1

STK563937
Synonyms: 4-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK846737
Synonyms: N-[(2Z)-6-methyl-4-phenylquinazolin-2(3H)-ylidene]aniline
Smiles: Cc1ccc2c(c1)c([nH]/c(=N/c1ccccc1)/n2)c1ccccc1

STK563952
Synonyms: 4-methyl-N'-[(1E)-1-(2,4,6-trihydroxypyrimidin-5-yl)ethylidene]benzohydrazide
Smiles: Cc1ccc(cc1)C(=O)N/N=C(/c1c(O)nc(nc1O)O)\C

STK563954
Synonyms: N-(4-fluorophenyl)-2-{[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nc(O)cc(n1)C(F)(F)F

STK563959
Synonyms: 8-[(3-ethoxypropyl)amino]-6-hydroxy-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COCCn1c(NCCCOCC)nc2c1c(O)nc(=O)n2C

STK846740
Synonyms: (2Z)-N-(4-methylphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)C1CC(=O)N/C(=N/c2ccc(cc2)C)/S1

STK563963
Synonyms: 2-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-1-ium-2-yl)phenolate
Smiles: [O-]c1ccccc1c1[nH+]c2n(n1)cnc1c2c2CCCCCc2s1

STK563965
Synonyms: (5E)-1-butyl-5-{[(4-methylpiperazin-1-yl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=NC(=O)/C(=C\NN2CCN(CC2)C)/C1=O)S

STK563967
Synonyms: 2-(pyridinium-4-yl)-1,3-thiazole-4-carboxylate
Smiles: [O-]C(=O)c1csc(n1)c1cc[nH+]cc1

STK563968
Synonyms: 5-(4-methoxyphenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4-ol
Smiles: COc1ccc(cc1)c1csc2c1c(O)nc(n2)S

STK563974
Synonyms: {(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)F

STK563982
Synonyms: (2Z)-2-(1H-benzimidazol-2-yl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-hydroxypent-2-enenitrile
Smiles: N#C/C(=C(\C(N1C(=O)c2c(C1=O)cccc2)C)/O)/c1nc2c([nH]1)cccc2

STK846746
Synonyms: N-benzyl-5-(4-hydroxyphthalazin-1-yl)-2-methylbenzenesulfonamide
Smiles: Oc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1ccccc1)C

STK563992
Synonyms: 6-[4-(propan-2-yl)phenyl]benzo[a]phenazin-5(7H)-one
Smiles: CC(c1ccc(cc1)c1c(=O)c2ccccc2c2c1[nH]c1ccccc1n2)C

STK563994
Synonyms: 6-chloro-8-[(2-ethylpiperidinium-1-yl)methyl]-3,4-dimethyl-2-oxo-2H-chromen-7-olate
Smiles: CCC1CCCC[NH+]1Cc1c([O-])c(Cl)cc2c1oc(=O)c(c2C)C

STK564007
Synonyms: 2-amino-4-(2,3-diethoxyphenyl)-5-hydroxy-7-methyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: CCOc1c(OCC)cccc1C1C(=C(N)Oc2c1c(O)nc(c2)C)C#N

STK846751
Synonyms: 5-(4-chlorophenyl)-4-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccn1C

STK564013
Synonyms: 3-{[(2-methoxyphenyl)amino]methyl}quinolin-2(1H)-one
Smiles: COc1ccccc1NCc1cc2ccccc2[nH]c1=O

STK564018
Synonyms: (E)-[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-3-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1ccc[nH+]c1

STK564023
Synonyms: 4-[(5Z)-4-hydroxy-5-[(5-methylthiophen-2-yl)methylidene]-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl]benzoicacid
Smiles: O=C1N=C(O)/C(=C/c2ccc(s2)C)/C(=O)N1c1ccc(cc1)C(=O)O

STK564024
Synonyms: 1-[(E)-{2-[2-(benzylamino)-6-methylpyrimidin-3-ium-4-yl]hydrazinylidene}methyl]naphthalen-2-olate
Smiles: Cc1cc(N/N=C/c2c([O-])ccc3c2cccc3)[nH+]c(n1)NCc1ccccc1

STK564025
Synonyms: 5-methoxy-2-{[(1-propyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCCn1c(NCc2ccc(cc2[O-])OC)[nH+]c2c1cccc2

STK564034
Synonyms: (7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl2-chlorobenzoate
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)COC(=O)c1ccccc1Cl

STK564042
Synonyms: 7-(4-chlorophenyl)-5-(4-methylphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1ccc(cc1)Cl

STK564045
Synonyms: (E)-{2-[4-(methoxycarbonyl)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

STK564072
Synonyms: N-[2-(2-{(Z)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Smiles: CCC(N1C(=NC(=O)/C(=C/c2[nH]c3c(c2CCNC(=O)C)cccc3)/C1=O)S)C

STK564073
Synonyms: N-[(2Z)-5-{2-[(4-chlorobenzyl)sulfanyl]phenyl}-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenoxyacetamide
Smiles: Clc1ccc(cc1)CSc1ccccc1c1n[nH]/c(=N/C(=O)COc2ccccc2)/s1

STK564074
Synonyms: (5Z)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-3-hexyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCCCN1C(=O)N=C(/C(=C/Nc2c(C)n(n(c2=O)c2ccccc2)C)/C1=O)O

STK564075
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-2H-purin-2-one
Smiles: C=CCNc1nc2c(n1CC(COC(C)C)O)c(O)nc(=O)n2C

STK564077
Synonyms: N-(2-hydroxyethyl)-4-{[(4E)-2,6,8-trimethylquinolin-4(1H)-ylidene]amino}benzamide
Smiles: OCCNC(=O)c1ccc(cc1)/N=c/1\cc(C)[nH]c2c1cc(C)cc2C

STK564097
Synonyms: N-[(4Z)-2-(4-propoxyphenyl)quinazolin-4(3H)-ylidene]-3-(trifluoromethyl)aniline
Smiles: CCCOc1ccc(cc1)c1nc2ccccc2/c(=N/c2cccc(c2)C(F)(F)F)/[nH]1

STK846757
Synonyms: (5Z)-3-(4-fluorobenzyl)-6-hydroxy-5-(4-hydroxy-3,5-dimethoxybenzylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(/C=C\2/C(=NC(=O)N(C2=O)Cc2ccc(cc2)F)O)cc(c1O)OC

STK846764
Synonyms: 2-(3-methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone
Smiles: O=C(n1c2ccccc2c2c1CCCC2)Cn1c(C)n[nH]c1=S

STK564132
Synonyms: 7-benzyl-6-hydroxy-8-[(2-methoxyethyl)amino]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COCCNc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

STK564133
Synonyms: 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylammonio)methyl]phenolate
Smiles: CC[NH+](Cc1cc(ccc1[O-])Nc1ccnc2c1ccc(c2)Cl)CC

STK564138
Synonyms: 2-chloro-N-methyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1ccccc1Cl)C

STK846766
Synonyms: (3Z)-3-(4-hydroxy-2-imino-1,3-thiazol-5(2H)-ylidene)-5-methyl-1,3-dihydro-2H-indol-2-one
Smiles: Cc1ccc2c(c1)/C(=C\1/SC(=N)N=C1O)/C(=O)N2

STK564143
Synonyms: 6-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-methyl-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(ccc1O)C1C2=C(O)c3c(C2=Nc2c1c(=O)[nH]c(=O)n2C)cccc3

STK564153
Synonyms: 3-butyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylpyrimidin-4(3H)-one
Smiles: CCCCn1c(S)nc(c(c1=O)C1NCCc2c1cc(OC)c(c2)OC)O

STK846769
Synonyms: N-[(2Z)-4,5-diphenyl-1,3-oxazol-2(3H)-ylidene]thiophene-2-carboxamide
Smiles: O=C(c1cccs1)/N=c/1\oc(c([nH]1)c1ccccc1)c1ccccc1

STK564166
Synonyms: 6-methyl-3-sulfanyl-1-(thiophen-3-yl)-5,6,7,8-tetrahydro-2,6-naphthyridine-4-carbonitrile
Smiles: N#Cc1c(S)nc(c2c1CN(C)CC2)c1cscc1

STK564171
Synonyms: 3-(4-methoxyphenyl)-1-(4-nitrophenyl)-4-{(1E)-N-[2-(piperazin-1-yl)ethyl]ethanimidoyl}-1H-pyrazol-5-ol
Smiles: COc1ccc(cc1)c1nn(c(c1/C(=N/CCN1CCNCC1)/C)O)c1ccc(cc1)[N+](=O)[O-]

STK564180
Synonyms: 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoicacid
Smiles: COc1cc(ccc1O)C1N(CCCC(=O)O)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/O

STK564183
Synonyms: 2,6-dimethoxy-4-({4-[(naphthalen-2-yloxy)acetyl]piperazin-1-ium-1-yl}methyl)phenolate
Smiles: COc1cc(C[NH+]2CCN(CC2)C(=O)COc2ccc3c(c2)cccc3)cc(c1[O-])OC

STK846772
Synonyms: (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: SC1=NC(=O)/C(=C/c2ccc[nH]2)/C(=O)N1CCC1=CCCCC1

STK564195
Synonyms: 3-(2-methylprop-2-en-1-yl)-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: CC(=C)Cn1c(S)nc2c(c1=O)cc1c(n2)CCCC1

STK564197
Synonyms: N-(4-chlorophenyl)-2-[(6-hydroxy-1-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc(=O)cc(n1C)O

STK564200
Synonyms: N-cyclohexyl-2-methoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: COCC(=O)N(C1CCCCC1)Cc1cc2ccccc2[nH]c1=O

STK846779
Synonyms: 4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CN(c1ccc(cc1)/C=N/n1c(COc2ccccc2)n[nH]c1=S)C

STK564216
Synonyms: (5E)-1-(butan-2-yl)-5-[(morpholin-4-ylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCC(N1C(=NC(=O)/C(=C\NN2CCOCC2)/C1=O)S)C

STK564217
Synonyms: 4-{[(3E)-5-amino-1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-ylidene]amino}-4-oxobutanoicacid
Smiles: O=C(/N=c/1\nc(n([nH]1)c1ccccc1)N)CCC(=O)O

STK564218
Synonyms: N-[2-(2-{(Z)-[1-(4-fluorophenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)c2ccc(cc2)F)O)[nH]c2c1cccc2

STK564224
Synonyms: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc(cc2)F)\O)/C(=O)C(=O)N1c1noc(c1)C

STK846780
Synonyms: 2,4-dihydroxy-N-(propan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: CC(NC(=O)c1c(O)nc2c(c1O)CCCC2)C

STK564225
Synonyms: 3-butyl-8-chloro-2-methylquinolin-4(1H)-one
Smiles: CCCCc1c(C)[nH]c2c(c1=O)cccc2Cl

STK564230
Synonyms: 5-methyl-7-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: CC1=CC(c2ccccc2)n2c(=N1)[nH]nn2

STK564232
Synonyms: (2E,5E)-5-(4-nitrobenzylidene)-2-{[2-(trifluoromethyl)phenyl]imino}-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OC1=N/C(=N\c2ccccc2C(F)(F)F)/S/C/1=C/c1ccc(cc1)[N+](=O)[O-]

STK564235
Synonyms: ethyl2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylate
Smiles: CCOC(=O)c1c(O)nc2c(c1O)CCCC2

STK564240
Synonyms: (E)-(2-methylimidazo[1,2-a]pyridin-3-yl){2-(4-methylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Cc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)nc2n1cccc2)/[O-]

STK564241
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(c2ccc(c(c2)OC)O)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O

STK564245
Synonyms: 3,4-dichloro-N-[(4E)-2-(pyridin-4-yl)quinazolin-4(3H)-ylidene]aniline
Smiles: Clc1ccc(cc1Cl)/N=c\1/[nH]c(nc2c1cccc2)c1ccncc1

STK564255
Synonyms: 4-chloro-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)benzamide
Smiles: Clc1ccc(cc1)C(=O)N(C(C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK564258
Synonyms: 4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3-ium-4-ylamino)butanoate
Smiles: [O-]C(=O)CCCNc1[nH+]cnc2c1c1CCCCc1s2

STK564265
Synonyms: 8-(diethylcarbamoyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolinium-4-carboxylate
Smiles: CCN(C(=O)c1ccc2c(c1)C1C=CCC1C([NH2+]2)C(=O)[O-])CC

STK564266
Synonyms: 4-(4-chlorophenyl)-6-methyl-2-sulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Smiles: N#Cc1c(S)nc2c(c1c1ccc(cc1)Cl)CN(CC2)C

STK564271
Synonyms: 4-chloro-2-{1-[(1-methyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl}phenolate
Smiles: Clc1ccc(c(c1)C(Nc1[nH+]c2c(n1C)cccc2)C)[O-]

STK564279
Synonyms: 10-chloro-2-hydroxy-6-oxo-5a,11b-dihydro-5H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylicacid
Smiles: O=C1Oc2ccc(cc2C2C1C(Sc1c2sc(n1)O)C(=O)O)Cl

STK564280
Synonyms: 2-methoxy-6-[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-2-yl]phenolate
Smiles: COc1cccc(c1[O-])c1nc(N2CC[NH+](CC2)C)c2c(n1)cccc2

STK564284
Synonyms: N'-[(E)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]pyridine-4-carbohydrazide
Smiles: O=C(c1ccncc1)NN/C=C/1\C(=O)N=C(N(C1=O)C)S

STK846788
Synonyms: 2-{(4Z)-6-amino-4-[(3-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-yl}cyclohexanone
Smiles: O=C1CCCCC1c1n/c(=N\c2cccc(c2)C)/[nH]c(n1)N

STK564293
Synonyms: 2-methyl-N-[(2E)-5-{2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: O=C(Cc1n[nH]/c(=N\C(=O)c2ccccc2C)/s1)N/N=C/c1ccncc1

STK564295
Synonyms: 3-{11-[4-(dimethylamino)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-2-benzofuran-1(3H)-one
Smiles: CN(c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C1OC(=O)c3c1cccc3)cccc2)(C)C)C

STK564296
Synonyms: (5Z)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CN(CCN/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)C

STK846790
Synonyms: N,2-dimethyl-5-{(4Z)-4-[(2-methylphenyl)imino]-3,4-dihydrophthalazin-1-yl}benzenesulfonamide
Smiles: CNS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N\c2ccccc2C)/c2c1cccc2

STK846793
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-2-chloro-5-nitrobenzamide
Smiles: Clc1ccc(cc1C(=O)/N=c/1\sc2c([nH]1)cccc2)[N+](=O)[O-]

STK846798
Synonyms: 3-{[(1Z)-4-methylphthalazin-1(2H)-ylidene]amino}phenol
Smiles: Oc1cccc(c1)/N=c/1\[nH]nc(c2c1cccc2)C

STK564318
Synonyms: (1Z)-1-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Smiles: SC1=NC(=O)/C(=C\2/C(=O)N3c4c2cccc4CCC3)/S1

STK564361
Synonyms: N-phenyl-2-{[1-(phenylsulfonyl)piperidin-3-yl]carbonyl}hydrazinecarbothioamide
Smiles: S=C(Nc1ccccc1)NNC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1

STK564364
Synonyms: N-[2-(4-chlorophenyl)ethyl]-1-ethyl-2-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1c(O)c(C(=O)NCCc2ccc(cc2)Cl)c(=O)c2c1cccc2

STK564370
Synonyms: 2-chloro-N-(2-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccccc1N(C(=O)c1ccccc1Cl)Cc1cc2ccccc2[nH]c1=O

STK564383
Synonyms: 6-ethyl-9-(ethylsulfanyl)-6-methyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCSc1n[nH]c2n1c(=O)c1c(n2)c2ccccc2CC1(C)CC

STK846809
Synonyms: 5-bromo-2-methoxy-N-[(2E)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc(cc1C(=O)/N=c\1/scc([nH]1)c1ccc(cc1)C)Br

STK564384
Synonyms: 5-cyclohexyl-2-{[2-(diethylamino)ethyl]sulfanyl}pyrimidine-4,6-diol
Smiles: CCN(CCSc1nc(O)c(c(n1)O)C1CCCCC1)CC

STL036501
Synonyms: (4-bromophenyl)[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone
Smiles: Brc1ccc(cc1)C(=O)c1cn[nH]c1c1cc(C)ccc1O

STK846812
Synonyms: ethyl[(2E)-2-{[(4-hydroxy-2-oxo-1-propyl-1,2,5,6,7,8-hexahydroquinolin-3-yl)carbonyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N/C(=O)c2c(O)c3CCCCc3n(c2=O)CCC)/[nH]1

STK846813
Synonyms: N-[(4E)-1-benzyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]-4-methylaniline
Smiles: Cc1ccc(cc1)/N=c\1/nc[nH]c2c1cnn2Cc1ccccc1

STK564408
Synonyms: 4-bromo-2-{[(1-ethyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCn1c(NCc2cc(Br)ccc2[O-])[nH+]c2c1cccc2

STK846815
Synonyms: (4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Smiles: O/C(=C/1\C(c2cccs2)N(C(=O)C1=O)c1sc(c(n1)C)C)/c1ccccc1

STK564422
Synonyms: N-(1H-benzimidazol-2-ylmethyl)-5-{(4E)-4-[(4-methoxyphenyl)imino]-3,4-dihydrophthalazin-1-yl}-2-methylbenzenesulfonamide
Smiles: COc1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1nc2c([nH]1)cccc2)C

STK564424
Synonyms: (E)-{1-[3-(diethylammonio)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1ccccc1OC)CC

STK564426
Synonyms: 3-{[(E)-(4-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/c1ccc(cc1)F

STK564431
Synonyms: N-[N'-(2,3-dimethylphenyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/C(=N/c1cccc(c1C)C)/Nc1nc(C)cc(n1)C

STK564436
Synonyms: N-(4-bromophenyl)-2-[(6-hydroxy-1-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc(=O)cc(n1C)O

STK846819
Synonyms: 4-[5-(4-chlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
Smiles: Clc1ccc(cc1)C1=CC(c2ccc(cc2)N(C)C)n2c(=N1)[nH]cn2

STK846820
Synonyms: (1E)-1-{[4-(dimethylamino)phenyl]imino}-2-ethyl-3-methyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(/c/1=N/c1ccc(cc1)N(C)C)c1ccccc1[nH]2

STK564437
Synonyms: (E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCC[NH+](C)C)/[O-])C

STK564449
Synonyms: 1-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(2,5-dimethoxyphenyl)ethanimidoyl]-3-methyl-1H-pyrazol-5-ol
Smiles: COc1ccc(c(c1)/N=C(/c1c(C)nn(c1O)c1nc2c(s1)cccc2)\C)OC

STK564450
Synonyms: 6-hydroxy-2-(propylsulfanyl)-4-(thiophen-2-yl)-4,5-dihydropyridine-3-carbonitrile
Smiles: CCCSC1=C(C#N)C(CC(=N1)O)c1cccs1

STK564451
Synonyms: (5Z)-5-[(6-ethoxy-2-hydroxyquinolin-3-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
Smiles: CCOc1cc2cc(/C=C/3\SC(=NC3=O)S)c(nc2cc1)O

STK564455
Synonyms: (E)-[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)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)C)c1cccc[nH+]1)/[O-]

STK846826
Synonyms: N-[(2Z)-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]acetamide
Smiles: COc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N/C(=O)C)/nc2

STK846827
Synonyms: 5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1)n1c(S)nnc1c1ccco1

STK564469
Synonyms: 1-(3-chlorophenyl)-3-[(2E)-6-ethoxy-1,3-benzothiazol-2(3H)-ylidene]urea
Smiles: CCOc1ccc2c(c1)s/c(=N/C(=O)Nc1cccc(c1)Cl)/[nH]2

STK564470
Synonyms: 7-(2-chloro-6-fluorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Fc1cccc(c1C1C=C(N=c2n1nc[nH]2)c1ccccc1)Cl

STK564474
Synonyms: 4-(1,3-benzothiazol-2-yl)-5-(2,4-dihydroxy-3-methylphenyl)-1H-pyrazole-3-carboxylicacid
Smiles: OC(=O)c1n[nH]c(c1c1nc2c(s1)cccc2)c1ccc(c(c1O)C)O

STK564476
Synonyms: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Smiles: CC1CN(CC(O1)C)Cc1nc2c([nH]1)n(C)c(=O)n(c2=O)C

STK564481
Synonyms: (6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methylfuran-2-carboxylate
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)COC(=O)c1ccco1

STK564489
Synonyms: N-phenyl-2-(pyrazin-2-ylcarbonyl)hydrazinecarbothioamide
Smiles: S=C(Nc1ccccc1)NNC(=O)c1cnccn1

STK846835
Synonyms: 1-(3-chlorophenyl)-3-[(2Z)-4,5-diphenyl-1,3-oxazol-2(3H)-ylidene]urea
Smiles: Clc1cccc(c1)NC(=O)/N=c/1\oc(c([nH]1)c1ccccc1)c1ccccc1

STK564497
Synonyms: 1-[(2Z)-1,3-benzoxazol-2(3H)-ylidene]-2-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]guanidine
Smiles: N/C(=N/C(=C1C(=O)CC(CC1=O)(C)C)C)/N=c/1\oc2c([nH]1)cccc2

STK564499
Synonyms: 2-{(Z)-[4-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl}-1,3-thiazol-5(4H)-ylidene]methyl}phenolate
Smiles: O=C1N=C(S/C/1=C\c1ccccc1[O-])N1CC[NH+](CC1)c1cccc(c1)C(F)(F)F

STK564511
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)C1/C(=C(/c2cccc(c2)OC)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK846840
Synonyms: methyl5-{[(3-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate
Smiles: COC(=O)c1ccc(o1)CSc1[nH]nc(n1)CC

STK564517
Synonyms: 7-(furan-2-yl)-1-(furan-2-ylmethyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: O=c1nc(O)c2c(n1Cc1ccco1)NC(=NC2(C(F)(F)F)C(F)(F)F)c1ccco1

STK564520
Synonyms: 3-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1cccc(c1)C(=O)O)/O

STK564530
Synonyms: 4-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccc(c(c1)/C=N/n1c(COc2ccccc2)n[nH]c1=S)O

STK846842
Synonyms: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2E)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: CC1CCc2c(C1)s/c(=N/C(=O)CSc1nc3c([nH]1)cccc3)/[nH]2

STK564536
Synonyms: (5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
Smiles: SC1=NC(=O)/C(=C/c2cn(c3c2cccc3)C)/S1

STK564541
Synonyms: (5Z)-2-[(2,3-dimethylphenyl)amino]-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=NC1=O)Nc1cccc(c1C)C

STK564563
Synonyms: 7-(2-chloro-6-fluorophenyl)-5-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Fc1cccc(c1C1C=C(N=c2n1nn[nH]2)c1ccccc1)Cl

STK846844
Synonyms: 2-(ethylsulfanyl)-6-hydroxy-4-(3-methylthiophen-2-yl)-4,5-dihydropyridine-3-carbonitrile
Smiles: CCSC1=C(C#N)C(CC(=N1)O)c1sccc1C

STK564565
Synonyms: 4-{[(E)-furan-2-ylmethylidene]amino}-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccco1

STK846849
Synonyms: N-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)C

STK564581
Synonyms: 9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol
Smiles: CN1CCc2c(C1)sc1c2c2nnc(n2cn1)S

STK564582
Synonyms: 4-{(E)-[(3,5-dimethyl-4H-1,2,4-triazol-1-ium-4-yl)imino]methyl}-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C=N/n1c(C)n[nH+]c1C

STK564583
Synonyms: N-[4-hydroxy-1-(2-methylpropyl)-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Smiles: CC(Cn1c(=O)nc(c2c1NC(=O)C2(NC(=O)C)C(F)(F)F)O)C

STK564586
Synonyms: 4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccncc1

STK564592
Synonyms: 1-(piperazin-1-yl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(S)nc(c2c1CCCC2)N1CCNCC1

STK846853
Synonyms: 7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)C1=CC(n2c(=N1)[nH]cn2)c1c(F)cccc1Cl

STK846854
Synonyms: 4,6-dimethyl-N-[(2Z)-4-phenylquinazolin-2(3H)-ylidene]pyrimidin-2-amine
Smiles: Cc1cc(C)nc(n1)/N=c/1\nc2ccccc2c([nH]1)c1ccccc1

STK564604
Synonyms: 6,6-dimethyl-3-(3-methylphenyl)-2-thioxo-1,2,3,5,6,8-hexahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1cccc(c1)n1c(=S)[nH]c2c(c1=O)c1CC(C)(C)SCc1s2

STK564606
Synonyms: {2,6-dichloro-4-[(E)-(4-hydroxy-1-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1c(Cl)cc(cc1Cl)/C=C/1\C(=NC(=O)N(C1=O)C)O

STK564610
Synonyms: (6Z)-6-[(2E)-(pyridin-3-ylmethylidene)hydrazinylidene]-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: c1ccc(cn1)/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2

STK846856
Synonyms: N-[(2E)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Smiles: CC1CCc2c(C1)s/c(=N/C(=O)CSc1nnnn1c1ccccc1)/[nH]2

STK564630
Synonyms: 6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
Smiles: O=c1nc(O)c2c(n1C)nc(n2Cc1cccc2c1cccc2)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK564634
Synonyms: N-{N-(4,6-dimethylpyrimidin-2-yl)-N'-[4-(pentyloxy)phenyl]carbamimidoyl}-2,2-dimethylpropanamide
Smiles: CCCCCOc1ccc(cc1)/N=C(/NC(=O)C(C)(C)C)\Nc1nc(C)cc(n1)C

STK846859
Synonyms: 2-{[(2E)-6-ethoxy-4-methylquinazolin-2(3H)-ylidene]amino}-6-methylpyrimidin-4(1H)-one
Smiles: CCOc1ccc2c(c1)c(C)[nH]/c(=N\c1nc(=O)cc([nH]1)C)/n2

STK564644
Synonyms: 8-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydroxy-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-2H-purin-2-one
Smiles: Cc1nn(c(c1)C)c1nc2c(n1CCOc1ccccc1)c(O)nc(=O)n2C

STK564645
Synonyms: 3-hydroxy-1-oxo-N'-[(E)-pyridin-2-ylmethylidene]-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carbohydrazide
Smiles: O=C(c1c(=O)c2cccc3c2n(c1O)CCC3)N/N=C/c1ccccn1

STK564670
Synonyms: N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenoxyacetamide
Smiles: CCc1n[nH]/c(=N\C(=O)COc2ccccc2)/s1

STK564671
Synonyms: N-[(2E)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
Smiles: CC1CCc2c(C1)s/c(=N/C(=O)CSc1nnc(o1)c1ccccc1)/[nH]2

STK564687
Synonyms: 1-[(2E)-5,6-dimethyl-4-oxo-3,4-dihydropyrimidin-2(1H)-ylidene]-2-(3-methylphenyl)guanidine
Smiles: Cc1cccc(c1)/N=C(/N=c/1\[nH]c(C)c(c(=O)[nH]1)C)\N

STK564696
Synonyms: 2-{(6Z)-6-[(3-chlorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
Smiles: Clc1cccc(c1)/N=c\1/cc(C)nc([nH]1)c1ccccc1O

STK564699
Synonyms: N-(4-bromophenyl)-2-[(6-hydroxy-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc(=O)cc(n1c1ccccc1)O

STK564700
Synonyms: 7-methyl-3-{(E)-[(3-methylphenyl)imino]methyl}quinolin-2(1H)-one
Smiles: Cc1cccc(c1)/N=C/c1cc2ccc(cc2[nH]c1=O)C

STK564704
Synonyms: (E)-(2,4-dimethyl-1,3-thiazol-5-yl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: Cc1nc(c(s1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)CCCn1c[nH+]cc1)/[O-])C

STK564706
Synonyms: 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)quinolin-2-ol
Smiles: Cc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)CN1CCCCC1

STK564710
Synonyms: ethyl4-[(2Z)-benzo[cd]indol-2(1H)-ylideneamino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=c/1\[nH]c2c3c1cccc3ccc2

STK564715
Synonyms: 8-ethyl-2-{4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamothioyl]piperazin-1-ium-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Smiles: COC(=O)C(C(C)C)NC(=S)N1CC[NH+](CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)[O-]

STK564724
Synonyms: N'-[(E)-(4,6-dioxo-1-phenyl-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-2-hydroxybenzohydrazide
Smiles: SC1=NC(=O)/C(=C\NNC(=O)c2ccccc2O)/C(=O)N1c1ccccc1

STK564727
Synonyms: N-(4-{[(2Z)-6-{[4-(acetylamino)phenyl]amino}-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2(1H)-ylidene]amino}phenyl)acetamide
Smiles: CN1CCN(CC1)c1nc(Nc2ccc(cc2)NC(=O)C)[nH]/c(=N/c2ccc(cc2)NC(=O)C)/n1

STK564731
Synonyms: 5-(4-fluorophenyl)-7-(furan-2-yl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(c2ccco2)n2c(=N1)[nH]nn2

STK564735
Synonyms: 3-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)F

STK564737
Synonyms: N-[(2E)-5-[(4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]naphthalene-1-carboxamide
Smiles: O=C(c1cccc2c1cccc2)/N=c/1\[nH]nc(s1)COc1ccc(cc1)[N+](=O)[O-]

STK564739
Synonyms: ethyl{(2E)-2-[({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}acetate
Smiles: CCOC(=O)Cc1cs/c(=N/C(=O)CSc2nnc(o2)c2ccncc2)/[nH]1

STK564740
Synonyms: (5Z)-1-phenyl-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\NN1CCCCC1)c1ccccc1

STK564742
Synonyms: 2-chloro-N-[(2Z)-5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: COc1cc(CCNC(=O)CSc2n[nH]/c(=N/C(=O)c3ccccc3Cl)/s2)ccc1OC

STK564747
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccc(cc1)C(C)C)C

STK564752
Synonyms: 4-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)F

STK564754
Synonyms: (E)-[4,5-dioxo-2-(3-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](furan-2-yl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK564755
Synonyms: 2-(3,4-dimethylphenyl)-8-(2-methylbutan-2-yl)-1,2,4-triazaspiro[4.5]dec-3-ene-3-thiol
Smiles: CCC(C1CCC2(CC1)N=C(N(N2)c1ccc(c(c1)C)C)S)(C)C

STK564758
Synonyms: (E)-(4-bromophenyl){2-[4-(methoxycarbonyl)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

STK564761
Synonyms: (4Z)-4-[(2,6-dimethylphenyl)imino]-1-(3-methoxyphenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol
Smiles: COc1cccc(c1)N1C(=N/C(=N\c2c(C)cccc2C)/C21CCOC(C2)(C)C)S

STK564762
Synonyms: 2-[({4-amino-6-[(3-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Smiles: COc1cccc(c1)Nc1nc(CSc2nc(CSc3ccc(cc3)C)cc(=O)[nH]2)nc(n1)N

STK564767
Synonyms: 1-(1-hydroxy-3,3-dimethyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-9-yl)propan-1-one
Smiles: CCC(=O)c1cccc2c1N=CC1=C(O)CC(CC1=N2)(C)C

STK846877
Synonyms: 5-(4-chlorophenyl)-7-(furan-2-yl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(c2ccco2)n2c(=N1)[nH]cn2

STK564779
Synonyms: 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccc(cc1)C)Cc1cc2ccccc2[nH]c1=O

STK564781
Synonyms: 2-chloro-N-[(2E)-5-(pyridin-3-yl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Clc1ccccc1C(=O)/N=c/1\[nH]nc(s1)c1cccnc1

STK564789
Synonyms: 5-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4-ol
Smiles: COc1cc(ccc1OC)c1c(C)sc2c1c(O)nc(n2)S

STK564795
Synonyms: 5-bromo-2-hydroxy-6'-methyl-2'-(methylsulfanyl)-4H-1,4'-bipyrimidin-4-one
Smiles: CSc1nc(C)cc(n1)n1cc(Br)c(=O)nc1O

STK564797
Synonyms: (E)-1-benzofuran-2-yl{1-[3-(dimethylammonio)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2ccc(cc2)F)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)C

STK564801
Synonyms: (E)-{2-(2,5-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2cccc(c2)OC)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C)OC

STK846881
Synonyms: 1-butyl-2-hydroxy-4-oxo-N-(4-propoxyphenyl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCOc1ccc(cc1)NC(=O)c1c(O)n(CCCC)c2c(c1=O)cccc2

STK564812
Synonyms: methyl2-{[(2,4-dihydroxy-5,6,7,8-tetrahydroquinolin-3-yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)c1c(O)nc2c(c1O)CCCC2

STK564826
Synonyms: 7-bromo-5-(4-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-ylacetate
Smiles: CC(=O)OC1N=C(c2ccc(cc2)Cl)c2c(N=C1O)ccc(c2)Br

STK846889
Synonyms: N-[(2Z)-4,5-diphenyl-1,3-oxazol-2(3H)-ylidene]-2-[(4-methylphenyl)sulfanyl]acetamide
Smiles: Cc1ccc(cc1)SCC(=O)/N=c/1\oc(c([nH]1)c1ccccc1)c1ccccc1

STK564842
Synonyms: 3,4-dichloro-N-[(2Z)-4,5-diphenyl-1,3-oxazol-2(3H)-ylidene]benzamide
Smiles: O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\oc(c([nH]1)c1ccccc1)c1ccccc1

STK564855
Synonyms: 1-(4-chlorophenyl)-7-(furan-2-yl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: Clc1ccc(cc1)n1c(=O)nc(c2c1NC(=NC2(C(F)(F)F)C(F)(F)F)c1ccco1)O

STK564856
Synonyms: (E)-[4,5-dioxo-2-(4-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](furan-2-yl)methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK564857
Synonyms: N-[2-(2-{(Z)-[1-(3-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)c2cccc(c2)C)S)[nH]c2c1cccc2

STK564865
Synonyms: (E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: Brc1cccc(c1)C1/C(=C(/c2ccncc2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

STK846893
Synonyms: 5-[4-(benzyloxy)-3-methoxybenzyl]-2,6-dihydroxy-5-[2-(pyridin-4-yl)ethyl]pyrimidin-4(5H)-one
Smiles: COc1cc(ccc1OCc1ccccc1)CC1(CCc2ccncc2)C(=NC(=NC1=O)O)O

STK564880
Synonyms: 4-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1ccc(cc1)Cl)Cc1cc2ccc(cc2[nH]c1=O)C

STK564887
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-6-hydroxy-3-methyl-7-propyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCn1c(NCCN(C)C)nc2c1c(O)nc(=O)n2C

STK564889
Synonyms: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CCc1ccc(cc1)OCC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)C)O

STK564890
Synonyms: (5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-{[2-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4(5H)-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1ccccc1C(F)(F)F

STK846895
Synonyms: 6-methyl-3-phenyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1sc2c(c1)c(=O)n(c(n2)S)c1ccccc1

STK564898
Synonyms: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(2Z)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: COc1cccc(c1)N1CCN(CC1)CC(=O)/N=c/1\sc2c([nH]1)CCC(C2)C

STK564899
Synonyms: N-(3,5-dichlorophenyl)-2-{[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nc(c1)O

STK564900
Synonyms: 1-benzyl-2-hydroxy-4-oxo-N-(pyridin-2-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)n(Cc2ccccc2)c2c(c1=O)cccc2)Nc1ccccn1

STK564907
Synonyms: (6Z)-6-[(2E)-(2-ethoxybenzylidene)hydrazinylidene]-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: CCOc1ccccc1/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2

STK564909
Synonyms: {(3Z)-3-[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-hydroxy-1,3-thiazol-5(2H)-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}aceticacid
Smiles: OC(=O)CN1C(=O)/C(=C/2\S/C(=N\c3cc(Cl)cc(c3)Cl)/N=C2O)/c2c1cccc2

STK564917
Synonyms: (3Z)-3-[(2E)-2-[(2,3-dichlorophenyl)imino]-4-hydroxy-1,3-thiazol-5(2H)-ylidene]-1,3-dihydro-2H-indol-2-one
Smiles: OC1=N/C(=N\c2cccc(c2Cl)Cl)/S/C/1=C/1\C(=O)Nc2c1cccc2

STK564931
Synonyms: (6Z)-6-{(2E)-[1-(5-chlorothiophen-2-yl)ethylidene]hydrazinylidene}-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: Clc1ccc(s1)/C(=N/N=c/1\[nH]n2cnnc2c2c1cccc2)/C

STK564933
Synonyms: 2-{(4Z)-4-[(2-methoxy-5-methylphenyl)imino]-3,4-dihydroquinazolin-2-yl}phenol
Smiles: COc1ccc(cc1/N=c/1\[nH]c(nc2c1cccc2)c1ccccc1O)C

STK564934
Synonyms: N,N'-[(nitroimino)bis(ethane-2,1-diyl-1,3,4-thiadiazol-2-yl-5-ylidene)]diacetamide
Smiles: CC(=O)/N=c/1\[nH]nc(s1)CCN([N+](=O)[O-])CCc1n[nH]/c(=N/C(=O)C)/s1

STK846901
Synonyms: 5-(4-bromophenyl)-7-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Brc1ccc(cc1)C1=CC(c2ccccc2)n2c(=N1)[nH]nn2

STK564945
Synonyms: (6Z)-6-[(3-chloro-2-methylphenyl)imino]-4-[(pyrimidin-2-ylsulfanyl)methyl]-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: Clc1cccc(c1C)/N=c/1\nc(CSc2ncccn2)nc([nH]1)N

STK564947
Synonyms: ethyl(2Z)-4-methyl-2-[({[(4-methylpiperazin-1-yl)carbonothioyl]sulfanyl}acetyl)imino]-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N\C(=O)CSC(=S)N2CCN(CC2)C)/[nH]c1C

STK846903
Synonyms: (4-fluorophenyl)[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]methanone
Smiles: Fc1ccc(cc1)C(=O)c1cn[nH]c1c1ccccc1O

STK846904
Synonyms: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-oxopentanoate
Smiles: O=C(N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)CCCC(=O)[O-]

STK846905
Synonyms: 6-chloro-3-hydroxy-7H-dibenzo[de,h]cinnolin-7-one
Smiles: Clc1ccc2c3c1C(=O)c1ccccc1c3nnc2O

STK564955
Synonyms: N-ethyl-4-hydroxy-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: CCNC(=O)c1c(O)n2CCc3c2c(c1=O)ccc3

STK564957
Synonyms: 2-methoxy-N-(3-methoxyphenyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1cccc(c1)N(C(=O)c1ccccc1OC)Cc1cc2cccc(c2[nH]c1=O)C

STK846906
Synonyms: 7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1c(F)cccc1Cl

STK564964
Synonyms: N-butyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-3-carboxamide
Smiles: CCCCN(C(=O)c1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O

STK564970
Synonyms: (E)-{1-[3-(diethylammonio)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/[O-])/C1c1cc(OC)ccc1OC)CC

STK564972
Synonyms: 6-hydroxy-3-methyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
Smiles: CNc1nc2c(n1Cc1cccc3c1cccc3)c(O)nc(=O)n2C

STK846912
Synonyms: 1-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)c1n[nH]c(n1)SCC(=O)c1ccc(cc1)Cl

STK846914
Synonyms: 5-ethyl-2-phenyl-5-propyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Smiles: CCCC1(CC)N=C(N(N1)c1ccccc1)S

STK564987
Synonyms: 4-[(E)-{[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]imino}methyl]phenolate
Smiles: [O-]c1ccc(cc1)/C=N/N1CC[NH+](CC1)Cc1ccccc1Cl

STK564989
Synonyms: 3,4-dimethoxy-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-phenylbenzamide
Smiles: COc1cc(ccc1OC)C(=O)N(c1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O

STK846915
Synonyms: 4-{[(1E,2Z)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C/C(=C/c1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccncc1

STK846916
Synonyms: N-[(2E)-6-chloro-1,3-benzothiazol-2(3H)-ylidene]-4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide
Smiles: C=CCn1c(=O)c(C(=O)/N=c/2\[nH]c3c(s2)cc(cc3)Cl)c(c2c1cccc2)O

STK564998
Synonyms: 5-(4-bromophenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4-ol
Smiles: Brc1ccc(cc1)c1csc2c1c(O)nc(n2)S

STK565000
Synonyms: N-[(2Z)-1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-2-{[(4-methylphenyl)carbonyl]amino}benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)/N=c\1/[nH]c2c(n1C)cccc2

STK565007
Synonyms: N'-[(Z)-{4-hydroxy-2,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]pyridine-4-carbohydrazide
Smiles: O=C1N=C(O)/C(=C/NNC(=O)c2ccncc2)/C(=O)N1c1cccc(c1)C(F)(F)F

STK565009
Synonyms: (2Z)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-hydroxyprop-2-enenitrile
Smiles: N#C/C(=C(\c1ccco1)/O)/c1nc2c([nH]1)cccc2

STK565012
Synonyms: (3Z)-3-[(2-aminophenyl)imino]-5-[4-(dimethylamino)phenyl]cyclohex-1-en-1-ol
Smiles: OC1=C/C(=N\c2ccccc2N)/CC(C1)c1ccc(cc1)N(C)C

STK565014
Synonyms: 3-{(3E)-2-(3-fluorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: Fc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O

STK565016
Synonyms: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(ethylsulfanyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCSc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(O)nc(=O)n2C

STK846922
Synonyms: N-[(E)-amino{[(2E)-4,6-dimethylquinazolin-2(3H)-ylidene]amino}methylidene]-2-(4-chlorophenyl)acetamide
Smiles: O=C(/N=C(/N=c/1\[nH]c(C)c2c(n1)ccc(c2)C)\N)Cc1ccc(cc1)Cl

STK846923
Synonyms: N-[(2E)-5-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-2-oxoethyl}-1,3,4-thiadiazol-2(3H)-ylidene]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)/N=c/1\[nH]nc(s1)CC(=O)N/N=C/c1ccc(cc1)O

STK846925
Synonyms: 4-ethyl-N-[(7E)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-ylidene]aniline
Smiles: CCc1ccc(cc1)/N=c/1\cc(C)[nH]c2n1ncn2

STK846927
Synonyms: 2,4-dimethoxy-N-[(2Z)-6-methyl-4-phenylquinazolin-2(3H)-ylidene]aniline
Smiles: COc1cc(OC)ccc1/N=c/1\nc2ccc(cc2c([nH]1)c1ccccc1)C

STK846929
Synonyms: methyl{2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate
Smiles: COC(=O)Cc1cc(=O)nc([nH]1)/N=c/1\oc2c([nH]1)cccc2

STK565058
Synonyms: 4-{(E)-[(4-benzylpiperazin-4-ium-1-yl)imino]methyl}-3-hydroxyphenolate
Smiles: [O-]c1ccc(c(c1)O)/C=N/N1CC[NH+](CC1)Cc1ccccc1

STK565062
Synonyms: 2-(1,3-benzothiazol-3-ium-2-yl)-4-[(phenylacetyl)amino]phenolate
Smiles: O=C(Nc1ccc(c(c1)c1sc2c([nH+]1)cccc2)[O-])Cc1ccccc1

STK565068
Synonyms: (E)-furan-2-yl[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[nH+]c1)/c1ccco1

STK565070
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Smiles: COc1cc(cc(c1OC)OC)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC)/[O-]

STK565077
Synonyms: 5-(4-bromophenyl)-7-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1C=C(N=c2n1nc[nH]2)c1ccc(cc1)Br

STK565091
Synonyms: 7-(furan-2-yl)-4-hydroxy-1-(2-phenylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: Oc1nc(=O)n(c2c1C(N=C(N2)c1ccco1)(C(F)(F)F)C(F)(F)F)CCc1ccccc1

STK565094
Synonyms: 2-{[(1-butyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}-4-chlorophenolate
Smiles: CCCCn1c(NCc2cc(Cl)ccc2[O-])[nH+]c2c1cccc2

STK565095
Synonyms: 4-chloro-2-{1-[(1-propyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl}phenolate
Smiles: CCCn1c(NC(c2cc(Cl)ccc2[O-])C)[nH+]c2c1cccc2

STK565120
Synonyms: (5E)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN(CCN/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S)C

STK846937
Synonyms: 5-(4-chlorophenyl)-7-(2-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1C1C=C(N=c2n1nc[nH]2)c1ccc(cc1)Cl

STK846938
Synonyms: 1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
Smiles: CCc1c(O)nc([nH]c1=O)SC1CC(=O)N(C1=O)c1ccc(c(c1)Cl)F

STK565134
Synonyms: 4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1c(cccc1OC)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK565135
Synonyms: (5E)-5-(4-ethoxybenzylidene)-1-(4-fluorobenzyl)-2-hydroxypyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)O

STK565148
Synonyms: (E)-{2-(3-bromophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1cccc(c1)Br)CC

STK846942
Synonyms: 2-{3-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-1H-indol-1-yl}-N-(furan-2-ylmethyl)acetamide
Smiles: OC1=NC(=O)/C(=C/c2cn(c3c2cccc3)CC(=O)NCc2ccco2)/C(=N1)O

STK846943
Synonyms: 5-(4-bromophenyl)-7-(2-chloro-6-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Brc1ccc(cc1)C1=CC(n2c(=N1)[nH]cn2)c1c(F)cccc1Cl

STK565164
Synonyms: 2,4-dihydroxy-N-[3-(morpholin-4-yl)propyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)NCCCN1CCOCC1

STK565180
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1c[nH+]cc1)/[O-]

STK565183
Synonyms: 3-hydroxy-1-oxo-N'-[(E)-pyridin-4-ylmethylidene]-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carbohydrazide
Smiles: O=C(c1c(O)n2CCCc3c2c(c1=O)ccc3)N/N=C/c1ccncc1

STK846947
Synonyms: 4-{[(1E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-en-1-yl]amino}-N-[(2E)-quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Clc1ccc(s1)C(=O)/C=C/Nc1ccc(cc1)S(=O)(=O)/N=c/1\cnc2c([nH]1)cccc2

STK846948
Synonyms: 7-phenyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[5,1-b]quinazoline
Smiles: c1ccc(cc1)C1C2=C(N=c3n1nc[nH]3)c1c(CC2)cccc1

STK846949
Synonyms: {[{5-bromo-2-[(phenylcarbonyl)amino]phenyl}(phenyl)methyl]ammonio}acetate
Smiles: [O-]C(=O)C[NH2+]C(c1cc(Br)ccc1NC(=O)c1ccccc1)c1ccccc1

STK846952
Synonyms: 2,4-dihydroxy-N'-[(E)-pyridin-3-ylmethylidene]-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)N/N=C/c1cccnc1

STK565216
Synonyms: {(3E)-3-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\C=C\c2ccccc2)/O)/C1c1ccccc1

STK565226
Synonyms: 6-hydroxy-4-oxo-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: O=C(c1c(O)c2cccc3c2n(c1=O)CC3)/N=c/1\[nH]nc(s1)C(C)C

STK846955
Synonyms: 1-(4-methoxyphenyl)-3-[(2E)-6-methyl-4-oxo-3,4-dihydropyrimidin-2(1H)-ylidene]guanidine
Smiles: COc1ccc(cc1)NC(=N)/N=c/1\[nH]c(C)cc(=O)[nH]1

STK565230
Synonyms: 5-ethoxy-2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate
Smiles: CCOc1ccc(c(c1)[O-])/C=N/Nc1cc(C)nc([nH+]1)N1CCOCC1

STK565236
Synonyms: 4-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]butanoicacid
Smiles: OC(=O)CCCN1C(c2ccc(cc2)C)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O

STK565237
Synonyms: 2,4-dihydroxy-N-nonyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: CCCCCCCCCNC(=O)c1c(O)nc2c(c1O)CCCC2

STK565240
Synonyms: (2Z)-4-hydroxy-2-[(3-methoxyphenyl)imino]-3-(piperidin-1-yl)naphthalen-1(2H)-one
Smiles: COc1cccc(c1)/N=C\1/C(=C(O)c2c(C1=O)cccc2)N1CCCCC1

STK565245
Synonyms: 6-hydroxy-3-methyl-7-(3-methylbenzyl)-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Smiles: Cc1cccc(c1)Cn1c(nc2c1c(O)nc(=O)n2C)Sc1nncn1C

STK565249
Synonyms: 2-[(6-hydroxy-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(=O)cc(n1c1ccccc1)O

STK565250
Synonyms: ethyl(2Z)-4-methyl-2-[({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)imino]-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N\C(=O)CSc2nnc(o2)c2ccncc2)/[nH]c1C

STK846961
Synonyms: 4-{[(E)-(3-methylphenyl)methylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccnc1

STK846963
Synonyms: (3Z)-3-(3-acetyl-5-oxo-2-sulfanyl-3,5-dihydro-4H-imidazol-4-ylidene)-1,3-dihydro-2H-indol-2-one
Smiles: CC(=O)N1C(=NC(=O)/C/1=C\1/C(=O)Nc2c1cccc2)S

STK565279
Synonyms: 3-methyl-N-({4-methyl-5-[(2-oxo-2-{[(2Z)-4-phenyl-1,3-thiazol-2(3H)-ylidene]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Smiles: Cc1cccc(c1)C(=O)NCc1nnc(n1C)SCC(=O)/N=c/1\scc([nH]1)c1ccccc1

STK565289
Synonyms: N-[(2Z)-4,6-dimethylpyrimidin-2(1H)-ylidene]-2,3-dihydro-1H-indole-1-carboximidamide
Smiles: Cc1cc(C)[nH]/c(=N/C(=N)N2CCc3c2cccc3)/n1

STK565295
Synonyms: 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoicacid
Smiles: COc1ccccc1C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCC(=O)O

STK565298
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK565302
Synonyms: (2Z)-2-(1H-benzimidazol-2-yl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-hydroxybut-2-enenitrile
Smiles: N#C/C(=C(\CN1C(=O)c2c(C1=O)cccc2)/O)/c1nc2c([nH]1)cccc2

STK846969
Synonyms: N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: Clc1ccc(cc1)CCNC(=O)c1c(O)nc2c(c1O)CCCC2

STK565310
Synonyms: 4-methyl-N-(2-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)N(c1ccccc1C)Cc1cc2ccccc2[nH]c1=O

STK565318
Synonyms: (5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(3-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C/C=C/c2ccco2)/C1=O)S

STK565320
Synonyms: (2Z)-2-[(4-methylquinazolin-2-yl)imino]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,2-dihydropyrimidin-4-ol
Smiles: Oc1cc(CSc2nnc(s2)C)[nH]/c(=N/c2nc(C)c3c(n2)cccc3)/n1

STK565322
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dihydroxy-3-(2-methoxyphenyl)pyrimidin-4(3H)-one
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)nc(n(c1=O)c1ccccc1OC)O

STK565324
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}(phenyl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK565337
Synonyms: (6Z)-6-[(1-benzylpiperidin-4-ylidene)hydrazinylidene]-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
Smiles: c1ccc(cc1)CN1CC/C(=N/N=c/2\[nH]n3cnnc3c3c2cccc3)/CC1

STK565338
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)C1/C(=C(/c2cccc(c2)OC)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK565339
Synonyms: 1-[4-(furan-2-yl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-5-yl]ethanone
Smiles: CC(=O)C1C(c2ccco2)c2c(CC1(C)O)[nH]nc2C

STK565342
Synonyms: (5E)-1-(4-fluorobenzyl)-2-hydroxy-5-(2-methoxybenzylidene)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccccc1/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)O

STK565343
Synonyms: N-{(E)-amino[(2E)-1,3-benzothiazol-2(3H)-ylideneamino]methylidene}-3-methylbutanamide
Smiles: CC(CC(=O)/N=C(/N=c\1/sc2c([nH]1)cccc2)\N)C

STK565345
Synonyms: 4-(4-methylphenyl)-5-[(1R,2R)-2-phenylcyclopropyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)n1c(=S)[nH]nc1[C@@H]1C[C@H]1c1ccccc1

STK565347
Synonyms: (3Z)-1,5-diethyl-3-[(2E)-(4-hydroxy-1,3-thiazol-2(5H)-ylidene)hydrazinylidene]-1,3-dihydro-2H-indol-2-one
Smiles: CCN1C(=O)/C(=N\N=C/2\SCC(=N2)O)/c2c1ccc(c2)CC

STK565348
Synonyms: 2-[(5-ethyl-4-hydroxy-5-methyl-5,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide
Smiles: CCC1(C)Cc2ccccc2c2c1c(O)nc(n2)SCC(=O)N

STK565351
Synonyms: (E)-[4-(benzyloxy)-2-methylphenyl][1-(2-methoxyethyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene]methanolate
Smiles: COCCN1C(c2cc[nH+]cc2)/C(=C(/c2ccc(cc2C)OCc2ccccc2)\[O-])/C(=O)C1=O

STK565355
Synonyms: N-[(2Z)-benzo[cd]indol-2(1H)-ylidene]-4-ethoxyaniline
Smiles: CCOc1ccc(cc1)/N=c/1\[nH]c2c3c1cccc3ccc2

STK565357
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CC(=C)C)c(O)nc(=O)n2C

STK565361
Synonyms: 4-(3-fluorophenyl)-1-imino-7,8,9,9a-tetrahydro-1H-3,5a-epoxychromeno[3,4-c]pyrrole-3a,9b(4H,6H)-dicarbonitrile
Smiles: N#CC12C3=NC(=N)C2(C#N)C2C(O3)(OC1c1cccc(c1)F)CCCC2

STK565366
Synonyms: (5E)-1-(2,5-dimethoxyphenyl)-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(c(c1)N1C(=NC(=O)/C(=C\NCCN2CCOCC2)/C1=O)S)OC

STK565367
Synonyms: 2-{[3-cyano-5-hydroxy-4-(2-methylphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)N=C2C(=C(O)CCC2)C1c1ccccc1C

STK565373
Synonyms: (E)-[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])Cc1ccc[nH+]c1)/c1ccccc1

STK565379
Synonyms: 7-(4-ethylphenyl)-5-(4-methoxyphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: CCc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)OC

STK565386
Synonyms: 3-(4-hydroxy-1-oxophthalazin-2(1H)-yl)propanoicacid
Smiles: OC(=O)CCn1nc(O)c2c(c1=O)cccc2

STK565388
Synonyms: 2-methoxy-6-[(E)-(2-{[(5-methyl-1,3,4-thiadiazol-3-ium-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenolate
Smiles: COc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]nc(s1)C

STK565393
Synonyms: (2Z)-3-(1H-benzotriazol-1-yl)-4-hydroxy-2-[(4-hydroxyphenyl)imino]naphthalen-1(2H)-one
Smiles: Oc1ccc(cc1)/N=C/1\C(=O)c2ccccc2C(=C1n1nnc2c1cccc2)O

STK565394
Synonyms: 4-{(5Z)-5-[(2-{[3-(1H-imidazol-3-ium-1-yl)propyl]amino}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate
Smiles: [O-]C(=O)CCCN1C(=S)S/C(=C\c2c(NCCCn3c[nH+]cc3)nc3n(c2=O)cc(cc3)C)/C1=O

STK565403
Synonyms: N'-[(Z)-(1-hexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]pentanehydrazide
Smiles: CCCCCCN1C(=O)N=C(/C(=C/NNC(=O)CCCC)/C1=O)O

STK565409
Synonyms: 5,5-dimethyl-2-sulfanyl-5,6-dihydrobenzo[h]quinazolin-4-ol
Smiles: Sc1nc(O)c2c(n1)c1ccccc1CC2(C)C

STK565425
Synonyms: 3,4,5-trimethoxy-N-[4-(5-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}-1H-benzimidazol-2-yl)phenyl]benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)Nc1ccc(cc1)c1nc2c([nH]1)ccc(c2)NC(=O)c1cc(OC)c(c(c1)OC)OC

STK846994
Synonyms: 1-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-methoxyphenyl)urea
Smiles: CCc1n[nH]/c(=N\C(=O)Nc2ccccc2OC)/s1

STK565436
Synonyms: (3Z)-N-benzyl-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide
Smiles: Clc1ccc(cc1)/C(=C/C(=O)C(=O)NCc1ccccc1)/O

STK565458
Synonyms: 2-[4-(bicyclo[2.2.1]hept-2-ylcarbamothioyl)piperazin-1-ium-1-yl]-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Smiles: CCn1cc(C(=O)[O-])c(=O)c2c1nc(nc2)[NH+]1CCN(CC1)C(=S)NC1CC2CC1CC2

STK565467
Synonyms: 1-{(4E)-6-amino-4-[(4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-yl}-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one
Smiles: Cc1ccc(cc1)/N=c\1/nc(CC(=O)CSc2nc3c(s2)cccc3)nc([nH]1)N

STK565468
Synonyms: 4-(2,6-dihydroxy-3-methyl-4-oxo-4,5-dihydro-3H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Smiles: O=C(C(N1C(=O)c2c(C1=O)cccc2)C)Oc1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)n(c(n2)O)C)cccc3

STK847006
Synonyms: 4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2-thiol
Smiles: Sc1nc(N)c2c(n1)sc1c2CCCC1

STK565481
Synonyms: 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)C1C=C(N=c2n1nc[nH]2)c1ccc(cc1)F

STK565482
Synonyms: 3-{(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-1-yl}propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)C(C)C

STK847009
Synonyms: 2-{[(5Z)-5-(acetylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(2-phenoxyethyl)acetamide
Smiles: O=C(CSc1n[nH]/c(=N/C(=O)C)/s1)NCCOc1ccccc1

STK847010
Synonyms: 1-hydroxy-4-phenyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Smiles: O=c1n(c2ccccc2)c2nnc(n2c2c1cccc2)O

STK847012
Synonyms: ethyl{[(5Z)-5-(phenylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1n[nH]/c(=N/c2ccccc2)/s1

STK565502
Synonyms: (E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-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(N1CCC[NH+]1CCOCC1)c1ccc(cc1)C(C)(C)C

STK565504
Synonyms: (E)-{2-(3-bromophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1cccc(c1)Br)CC

STK565510
Synonyms: (E)-[2-(furan-2-yl)-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(C1c1ccco1)Cc1ccc[nH+]c1)/[O-]

STK565513
Synonyms: (5E)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C\NC2CCN(CC2)Cc2ccccc2)/C1=O)O

STK565519
Synonyms: (4E)-5-(2-fluorophenyl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: Cc1onc(c1)N1C(=O)C(=O)/C(=C(\c2ccc(o2)C)/O)/C1c1ccccc1F

STK565520
Synonyms: 6-{[(4-methylphenyl)sulfanyl]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4(3H)-one
Smiles: Cc1ccc(cc1)SCc1cc(=O)[nH]c(n1)Nc1nc(C)c2c(n1)cccc2

STK565528
Synonyms: 2-methoxy-N-(4-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1ccccc1C(=O)N(c1ccc(cc1)C)Cc1cc2ccccc2[nH]c1=O

STK565534
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-phenylpropanamide
Smiles: CCC(=O)N(c1ccccc1)Cc1cc2ccccc2[nH]c1=O

STK847018
Synonyms: 5-(4-chlorophenyl)-7-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(c2ccccc2)n2c(=N1)[nH]nn2

STK565546
Synonyms: N-[1-(3,5-dimethoxybenzyl)-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]furan-2-carboxamide
Smiles: COc1cc(cc(c1)OC)CN1C(=NC(C1=O)(NC(=O)c1ccco1)C(F)(F)F)O

STK565553
Synonyms: (E)-(3-chloro-4-methoxyphenyl)[2-(2-fluorophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)c1cccc[nH+]1)/[O-]

STK565555
Synonyms: 3-heptylquinoline-2,4-diol
Smiles: CCCCCCCc1c(O)nc2c(c1O)cccc2

STK847022
Synonyms: N-(4-bromophenyl)-3-hydroxy-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1c(O)n2CCCc3c2c(c1=O)ccc3

STK565559
Synonyms: 2-methoxy-N-[(7E)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-ylidene]aniline
Smiles: COc1ccccc1/N=c/1\cc(C)[nH]c2n1ncn2

STK565560
Synonyms: ethyl(2Z)-2-({[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]acetyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N\C(=O)CSc2nc(O)cc(n2)CSc2ccc(cc2)C)/[nH]c1C

STK847028
Synonyms: 4-{[(2E)-6-bromo-4-phenylquinazolin-2(3H)-ylidene]amino}benzenesulfonamide
Smiles: Brc1ccc2c(c1)c([nH]/c(=N\c1ccc(cc1)S(=O)(=O)N)/n2)c1ccccc1

STK565583
Synonyms: (2Z)-3-(1H-benzotriazol-1-yl)-4-hydroxy-2-[(3-hydroxyphenyl)imino]naphthalen-1(2H)-one
Smiles: Oc1cccc(c1)/N=C/1\C(=O)c2ccccc2C(=C1n1nnc2c1cccc2)O

STK565584
Synonyms: (1Z)-1-[(2Z)-1,3-benzothiazol-2(3H)-ylidenehydrazinylidene]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Smiles: O=C1/C(=N\N=c\2/sc3c([nH]2)cccc3)/c2c3N1CCCc3ccc2

STK847029
Synonyms: 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Smiles: Cn1c2[nH]c(nc2c(=O)n(c1=O)C)CN1CCc2c(C1)cccc2

STK565587
Synonyms: 4-tert-butyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-propylbenzamide
Smiles: CCCN(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2cc(C)ccc2[nH]c1=O

STK565590
Synonyms: 4-(benzylamino)-2-sulfanylpyridine-3-carbonitrile
Smiles: N#Cc1c(ccnc1S)NCc1ccccc1

STK847033
Synonyms: 1-(4-ethoxyphenyl)-3-[(2Z)-5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: CCOc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)COc1ccc(cc1)CC

STK847034
Synonyms: 5-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)C1C=C(N=c2n1nc[nH]2)c1ccc(cc1)Cl

STK565600
Synonyms: ethyl(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)prop-2-enoate
Smiles: CCOC(=O)/C=C/c1c(C)nc(nc1O)O

STK565602
Synonyms: 6-hydroxy-3-methyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(CCN1CCOCC1)cn2)C

STK565616
Synonyms: 5'-ethyl3'-methyl2'-amino-6-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Smiles: CCOC(=O)C1=C(C)OC(=C(C21C(=O)Nc1c2ccc(c1)Br)C(=O)OC)N

STK565622
Synonyms: (E)-[4,5-dioxo-2-(3-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-fluorophenyl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK565628
Synonyms: N-[(2Z)-5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: O=C(c1ccco1)/N=c\1/[nH]nc(s1)SCc1ccccc1F

STK565629
Synonyms: 6-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]hexanoicacid
Smiles: COc1ccc(cc1)C1N(CCCCCC(=O)O)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/O

STK847041
Synonyms: 1-(3,4-dimethylphenyl)-3-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: CCc1n[nH]/c(=N\C(=O)Nc2ccc(c(c2)C)C)/s1

STK565635
Synonyms: 5-benzyl-6-hydroxy-1-(4-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyrimidin-4(1H)-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nc(=O)c(c1O)Cc1ccccc1

STK565640
Synonyms: 2-[(6-hydroxy-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(=O)cc(n1c1ccccc1)O

STK565659
Synonyms: (2,6-dichloro-4-{(E)-[1-(3,4-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1c(Cl)cc(cc1Cl)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)O

STK565663
Synonyms: 5-(3,4-dimethoxyphenyl)-4-{[(E)-thiophen-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OC)c1n[nH]c(=S)n1/N=C/c1cccs1

STK565665
Synonyms: (4E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-1-(furan-2-ylmethyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1Cc1ccco1

STK565671
Synonyms: 1-cyclopentyl-4-(4-ethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCC1)O

STK565681
Synonyms: 5-(3-methoxyphenyl)-7-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(c2ccccc2)n2c(=N1)[nH]nn2

STK565685
Synonyms: 6-hydrazinylpyridazine-3-thiol
Smiles: NNc1ccc(nn1)S

STK565689
Synonyms: N-[(2E)-4,6-dimethylquinazolin-2(1H)-ylidene]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
Smiles: Cc1nc(/N=c\2/nc(C)c3c([nH]2)ccc(c3)C)nc(c1)C(F)(F)F

STK565691
Synonyms: (E)-(4-chlorophenyl)[2-(2-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1[N+](=O)[O-])Cc1ccc[nH+]c1)/[O-]

STK565693
Synonyms: 5-chloro-2-methoxy-N-(4,4,6-trimethyl-2-sulfanylpyrimidin-1(4H)-yl)benzamide
Smiles: COc1ccc(cc1C(=O)NN1C(=CC(N=C1S)(C)C)C)Cl

STK565694
Synonyms: ethyl{2-[(2E)-1,3-benzoxazol-2(3H)-ylideneamino]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate
Smiles: CCOC(=O)Cc1cc(=O)nc([nH]1)/N=c\1/oc2c([nH]1)cccc2

STK565696
Synonyms: 6-chloro-3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-2H-1,4-benzoxazin-2-one
Smiles: Cc1ccc(cc1)/C(=C/c1nc2cc(Cl)ccc2oc1=O)/O

STK565701
Synonyms: ethyl2-[(6-hydroxy-3-methyl-2-oxo-7-propyl-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoate
Smiles: CCCn1c(SC(C(=O)OCC)C)nc2c1c(O)nc(=O)n2C

STK847053
Synonyms: methyl{[3-cyano-6-hydroxy-4-(3-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)[N+](=O)[O-]

STK565714
Synonyms: 3-[(Z)-2-hydroxy-2-phenylethenyl]-6-methyl-2H-1,4-benzoxazin-2-one
Smiles: Cc1ccc2c(c1)nc(c(=O)o2)/C=C(/c1ccccc1)\O

STK565722
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-2-yl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)c1cccc[nH+]1)/[O-]

STK565725
Synonyms: N-tert-butyl-2-methoxy-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1ccccc1C(=O)N(C(C)(C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK565729
Synonyms: (5E)-3-(4-fluorobenzyl)-6-hydroxy-5-{[(pyridin-3-ylmethyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C\NCc2cccnc2)/C1=O)O

STK565731
Synonyms: N-[(4Z)-2-(2-fluorophenyl)quinazolin-4(3H)-ylidene]-2,4-dimethoxyaniline
Smiles: COc1cc(OC)ccc1/N=c/1\[nH]c(nc2c1cccc2)c1ccccc1F

STK565737
Synonyms: (E)-(4-chlorophenyl)[4,5-dioxo-1-(pyridinium-2-yl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene]methanolate
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)c1cccc[nH+]1)/[O-]

STK565742
Synonyms: 2-{[(2E)-7-methoxy-4-methylquinazolin-2(3H)-ylidene]amino}-5,6-dimethylpyrimidin-4(1H)-one
Smiles: COc1ccc2c(c1)n/c(=N/c1nc(=O)c(c([nH]1)C)C)/[nH]c2C

STK565762
Synonyms: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK565788
Synonyms: N-(1,3-benzodioxol-5-yl)-5-(4-hydroxyphthalazin-1-yl)-2-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)Nc1ccc2c(c1)OCO2)c1nnc(c2c1cccc2)O

STK565790
Synonyms: 7-(thiophen-2-yl)-9-(trifluoromethyl)thieno[2,3-b:4,5-b']dipyridine-2,4-diol
Smiles: Oc1cc(O)c2c(n1)c1c(s2)nc(cc1C(F)(F)F)c1cccs1

STK565792
Synonyms: N-[(2Z,5E)-5-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-hydroxy-1,3-thiazol-2(5H)-ylidene]acetamide
Smiles: CC(=O)/N=C\1/N=C(/C(=C/2\C(=O)N(c3c2cccc3)C(=O)C)/S1)O

STK565796
Synonyms: 4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-7(8H)-thione
Smiles: S=c1[nH]cnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK565807
Synonyms: 2,6-dimethoxy-4-[(E)-(4H-1,2,4-triazol-1-ium-4-ylimino)methyl]phenolate
Smiles: COc1cc(/C=N/n2c[nH+]nc2)cc(c1[O-])OC

STK847064
Synonyms: 1-[(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-methoxyphenyl)urea
Smiles: COc1ccccc1NC(=O)/N=c/1\[nH]nc(s1)c1ccc(cc1)Br

STK565814
Synonyms: 6-(methoxycarbonyl)-2-{(1E)-1-[(4-methoxyphenyl)iminio]propyl}-5,5-dimethyl-3-oxocyclohex-1-en-1-olate
Smiles: COC(=O)C1C(=C(/C(=[NH+]/c2ccc(cc2)OC)/CC)C(=O)CC1(C)C)[O-]

STK847065
Synonyms: N-[(2Z)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide
Smiles: CCC1S/C(=N\C(=O)c2cccs2)/NC1=O

STK565824
Synonyms: 2-{[3-cyano-4-(4-ethoxyphenyl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2cccc(c2)C)N=C2C1=C(O)CCC2)C#N

STK565825
Synonyms: 6-amino-3-{[(4-methylphenyl)sulfanyl]methyl}-4-(pyridin-4-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccncc1)c(CSc1ccc(cc1)C)n[nH]2

STK847068
Synonyms: 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1cccnc1)Br

STK565826
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C\c1nc2c([nH]1)cccc2)c1ccccc1C

STK847071
Synonyms: 5-(4-bromophenyl)-7-(4-fluorophenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)Br

STK565837
Synonyms: methyl3-{[(4Z)-2-(2-hydroxyphenyl)-6-methylpyrimidin-4(3H)-ylidene]amino}benzoate
Smiles: COC(=O)c1cccc(c1)/N=c\1/cc(C)nc([nH]1)c1ccccc1O

STK565839
Synonyms: (2Z)-N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)C1CC(=O)N/C(=N/c2ccc(cc2)C)/S1

STK565852
Synonyms: 4-methoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-propylbenzamide
Smiles: CCCN(C(=O)c1ccc(cc1)OC)Cc1cc2ccccc2[nH]c1=O

STK565854
Synonyms: (5Z)-5-({[1-(4-bromophenyl)ethyl]amino}methylidene)-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C\NC(c2ccc(cc2)Br)C)/C(=N1)O

STK847074
Synonyms: 6,8-dibromo-3-[(2Z)-2-(phenylimino)-2,3-dihydro-1,3-thiazol-4-yl]-2H-chromen-2-one
Smiles: Brc1cc(Br)c2c(c1)cc(c(=O)o2)c1cs/c(=N\c2ccccc2)/[nH]1

STK565858
Synonyms: 2-fluoro-N-[(7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-methylbenzamide
Smiles: COc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1ccccc1F)C

STK847075
Synonyms: N-[(2Z)-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: Clc1ccc(cc1)OCc1n[nH]/c(=N/C(=O)c2ccco2)/s1

STK565866
Synonyms: (5Z)-5-(3-bromobenzylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Brc1cccc(c1)/C=C/1\C(=O)NC(=O)N=C1O

STK565871
Synonyms: 2-[4-(butan-2-ylammonio)quinazolin-2-yl]phenolate
Smiles: CCC([NH2+]c1nc(nc2c1cccc2)c1ccccc1[O-])C

STK847076
Synonyms: 2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[(2E)-5-methyl-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: COc1ccc(cc1)Cc1nnc(o1)SCC(=O)/N=c\1/sc(c([nH]1)c1ccccc1)C

STK565882
Synonyms: (3Z)-N'-[bis(4-chlorophenyl)(hydroxy)acetyl]-4-hydroxy-2-oxo-4-phenylbut-3-enehydrazide
Smiles: Clc1ccc(cc1)C(c1ccc(cc1)Cl)(C(=O)NNC(=O)C(=O)/C=C(/c1ccccc1)\O)O

STK565887
Synonyms: 2-{[(2E)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl2-methylpiperidine-1-carbodithioate
Smiles: CC1CCc2c(C1)s/c(=N/C(=O)CSC(=S)N1CCCCC1C)/[nH]2

STK565890
Synonyms: 1-(3-methylphenyl)-3-{N-[(2E)-4-methylquinazolin-2(3H)-ylidene]carbamimidoyl}thiourea
Smiles: S=C(NC(=N)/N=c/1\[nH]c(C)c2c(n1)cccc2)Nc1cccc(c1)C

STK565892
Synonyms: (5E)-2-hydroxy-5-(1H-indol-3-ylmethylidene)-1-(3-methoxyphenyl)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1cccc(c1)N1C(=NC(=O)/C(=C\c2c[nH]c3c2cccc3)/C1=O)O

STK565893
Synonyms: (E)-{2-(4-bromophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: Brc1ccc(cc1)C1N(CCCn2cc[nH+]c2)C(=O)C(=O)/C/1=C(\c1c(C)nc2n1cccc2)/[O-]

STK565895
Synonyms: (2Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-4-phenoxybut-2-enenitrile
Smiles: N#C/C(=C(\COc1ccccc1)/O)/c1nc2c([nH]1)cccc2

STK847080
Synonyms: 4-amino-N-(4-methoxyphenyl)-2-sulfanyl-1,3-thiazole-5-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc(nc1N)S

STK565901
Synonyms: (E)-{4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(furan-2-yl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK565903
Synonyms: (5E)-1-[2-(4-fluorophenyl)ethyl]-2-hydroxy-5-(4-hydroxy-3-methoxybenzylidene)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1cc(ccc1O)/C=C/1\C(=O)N=C(N(C1=O)CCc1ccc(cc1)F)O

STK565906
Synonyms: 2-amino-8-(benzylsulfanyl)-7H-purin-6-ol
Smiles: Nc1nc2nc([nH]c2c(n1)O)SCc1ccccc1