Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

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STK846546
Synonyms: 7- (tricyclo[3.3.1.1~3,7~]dec- 1- 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)C12CC3CC(C2)CC(C1)C3

STK562907
Synonyms: (E)- [2- (4- fluorophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene][5- (methoxycarbonyl)- 2,4- dimethyl- 1H- pyrrol- 3- yl]methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc[nH+]c1)/[O-])C

STK562912
Synonyms: 2- chloro- N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- phenylbenzamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1ccccc1Cl)c1ccccc1

STK562927
Synonyms: (5E)- 1- (3- methoxyphenyl)- 5- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COc1cccc(c1)N1C(=NC(=O)/C(=C\NCCCN2CCOCC2)/C1=O)S

STK846550
Synonyms: N- [(4E)- 1,7- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- ylidene]- 4- methoxyaniline
Smiles: COc1ccc(cc1)/N=c\1/nc[nH]c2c1cn[nH]2

STK562934
Synonyms: (5Z)- 5- ({[2- (dimethylamino)ethyl]amino}methylidene)- 3- (furan- 2- ylmethyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CN(CCN/C=C\1/C(=NC(=O)N(C1=O)Cc1ccco1)O)C

STK562937
Synonyms: (5E)- 1- cyclopropyl- 5- ({[3- (1H- imidazol- 1- yl)propyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NCCCn1ccnc1)C1CC1

STK562938
Synonyms: 7- ethyl- 8- (ethylsulfanyl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCSc1nc2c(n1CC)c(O)nc(=O)n2C

STK562939
Synonyms: (5Z)- 2- [(3,4- dimethylphenyl)amino]- 5- (4- ethoxy- 3- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=NC1=O)Nc1ccc(c(c1)C)C

STK562941
Synonyms: N- ethyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]acetamide
Smiles: CCN(C(=O)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK562944
Synonyms: 4- [(E)- (2- {[4- (4- methylbenzyl)piperazin- 1- ium- 1- yl]acetyl}hydrazinylidene)methyl]phenolate
Smiles: [O-]c1ccc(cc1)/C=N/NC(=O)C[NH+]1CCN(CC1)Cc1ccc(cc1)C

STK846553
Synonyms: (2Z)- 2- [(3- nitrophenyl)imino]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OC1=N/C(=N/c2cccc(c2)[N+](=O)[O-])/SC1

STK562956
Synonyms: 2- {[(1,2- dimethyl- 1H- benzimidazol- 5- yl)ammonio]methyl}phenolate
Smiles: [O-]c1ccccc1C[NH2+]c1ccc2c(c1)nc(n2C)C

STK846554
Synonyms: N- [(2Z)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- 10H- phenothiazine- 10- carboxamide
Smiles: O=C1CS/C(=N\C(=O)N2c3ccccc3Sc3c2cccc3)/N1

STK562961
Synonyms: 2- {[(1- methyl- 1H- benzimidazol- 5- yl)ammonio]methyl}phenolate
Smiles: [O-]c1ccccc1C[NH2+]c1ccc2c(c1)ncn2C

STK562965
Synonyms: 1- {(1Z)- 3- hydroxy- 1- [(2- hydroxy- 4- nitrophenyl)imino]- 4- nitro- 1H- inden- 2- yl}ethanone
Smiles: Oc1cc(ccc1/N=C\1/c2cccc(c2C(=C1C(=O)C)O)[N+](=O)[O-])[N+](=O)[O-]

STK846555
Synonyms: 4- [4- (4- bromophenyl)- 1H- pyrazol- 5- yl]benzene- 1,3- diol
Smiles: Brc1ccc(cc1)c1cn[nH]c1c1ccc(cc1O)O

STK562972
Synonyms: N'- [(E)- (3- bromophenyl)methylidene]- 2,4- dihydroxy- 5,6,7,8- tetrahydroquinoline- 3- carbohydrazide
Smiles: Brc1cccc(c1)/C=N/NC(=O)c1c(O)nc2c(c1O)CCCC2

STK846556
Synonyms: 3- [(4- hydroxy- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]dihydrofuran- 2(3H)- one
Smiles: O=C1OCCC1Sc1nc(O)c2c(n1)sc1c2CCC1

STK562986
Synonyms: 1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 5- ({1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4,6- dihydroxy- 2- thioxo- 1,2- dihydropyrimidin- 5- yl}[4- methoxy- 3- (morpholin- 4- ium- 4- ylmethyl)phenyl]methyl)- 4- hydroxy- 6- oxo- 1,6- dihydro
Smiles: COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)[S-])c1c(O)nc(=S)n(c1O)CCC1=CCCCC1

STK562991
Synonyms: 1,5- bis(4- bromophenyl)- 1H,5H- [1,2,4]triazolo[1,2- a][1,2,4]triazole- 3,7- dithiol
Smiles: SC1=NC(N2N1C(N=C2S)c1ccc(cc1)Br)c1ccc(cc1)Br

STK563000
Synonyms: 3- ({(E)- [1- (3,4- dimethylphenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}amino)benzoicacid
Smiles: OC(=O)c1cccc(c1)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)O

STK563004
Synonyms: (E)- {1- [3- (dimethylammonio)propyl]- 4,5- dioxo- 2- (thiophen- 2- yl)pyrrolidin- 3- ylidene}(2,8- dimethylimidazo[1,2- a]pyridin- 3- yl)methanolate
Smiles: C[NH+](CCCN1C(c2cccs2)/C(=C(/c2c(C)nc3n2cccc3C)\[O-])/C(=O)C1=O)C

STK846559
Synonyms: N- [(2E)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]pyridine- 4- carboxamide
Smiles: CCCc1n[nH]/c(=N\C(=O)c2ccncc2)/s1

STK563007
Synonyms: (5E)- 5- [4- (azepan- 1- yl)benzylidene]- 1- butyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCCCN1C(=NC(=O)/C(=C\c2ccc(cc2)N2CCCCCC2)/C1=O)S

STK846561
Synonyms: 2- (ethylsulfanyl)- 6- hydroxy- 4- (4- nitrophenyl)- 4,5- dihydropyridine- 3- carbonitrile
Smiles: CCSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)[N+](=O)[O-]

STK563015
Synonyms: (E)- [2- (4- methylphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene][4- (prop- 2- en- 1- yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc[nH+]c1)/[O-]

STK563024
Synonyms: (E)- (4- bromophenyl){2- (2,5- dimethoxyphenyl)- 1- [2- (dimethylammonio)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: COc1ccc(cc1C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Br)/[O-])OC

STK846564
Synonyms: N- [(2E)- 4,5- dimethyl- 1,3- thiazol- 2(3H)- ylidene]- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: Cc1[nH]/c(=N\C(=O)C23CCC(C3(C)C)(C(=O)C2)C)/sc1C

STK563027
Synonyms: (5Z)- 5- [(2- hydroxy- 6- methylquinolin- 3- yl)methylidene]- 3- (propan- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Cc1ccc2c(c1)cc(c(n2)O)/C=C/1\SC(=S)N(C1=O)C(C)C

STK846565
Synonyms: 6- bromo- 3- (morpholin- 4- yl)- 4- phenylquinolin- 2- ol
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)N1CCOCC1

STK563044
Synonyms: 4- {[(E)- 1H- indol- 3- ylmethylidene]amino}- 5- (trifluoromethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1/N=C/c1c[nH]c2c1cccc2)C(F)(F)F

STK563045
Synonyms: 2- {(1E)- 1- [(2Z)- [1,2,4]triazolo[3,4- a]phthalazin- 6(5H)- ylidenehydrazinylidene]ethyl}phenol
Smiles: C/C(=N\N=c\1/[nH]n2cnnc2c2c1cccc2)/c1ccccc1O

STK563047
Synonyms: (E)- furan- 2- yl{1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- [3- (prop- 2- en- 1- yloxy)phenyl]pyrrolidin- 3- ylidene}methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK846577
Synonyms: N- (2- methoxyphenyl)- 4- methyl- 2- sulfanyl- 6- (thiophen- 2- yl)- 1,6- dihydropyrimidine- 5- carboxamide
Smiles: COc1ccccc1NC(=O)C1=C(C)N=C(NC1c1cccs1)S

STK563061
Synonyms: (E)- [2- (4- ethoxyphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK846579
Synonyms: dimethyl5- (2- {[(2E)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]amino}- 5- oxo- 4,5- dihydro- 1H- imidazol- 1- yl)benzene- 1,3- dicarboxylate
Smiles: COC(=O)c1cc(cc(c1)C(=O)OC)N1C(=O)CN=C1/N=c\1/nc(C)cc([nH]1)C

STK563067
Synonyms: 5- [(1R,2R)- 2- phenylcyclopropyl]- 4- [2- (trifluoromethyl)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1

STK846582
Synonyms: (5Z)- 1- (4- fluorophenyl)- 5- [(3- methyl- 5- oxo- 1- phenyl- 4,5- dihydro- 1H- pyrazol- 4- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C/C2C(=NN(C2=O)c2ccccc2)C)/C1=O)S

STK563073
Synonyms: 4- ({[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}methyl)benzoate
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)[O-])[nH+]nc1c1ccncc1

STK563074
Synonyms: (4E)- 1- benzyl- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 5- phenylpyrrolidine- 2,3- dione
Smiles: CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccccc1)/O

STK563076
Synonyms: 3- [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (2,4- dichlorophenyl)- 4,5- dioxopyrrolidin- 1- yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1Cl)Cl

STK563078
Synonyms: 6- hydroxy- 3,7- dimethyl- 8- {[2- (piperidin- 1- yl)ethyl]sulfanyl}- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1n(C)c(n2)SCCN1CCCCC1)C

STK846584
Synonyms: N- [(3Z)- 5,7- dimethyl[1,2,4]triazolo[4,3- a]pyrimidin- 3(2H)- ylidene]- 4- methoxyaniline
Smiles: COc1ccc(cc1)/N=c/1\[nH]nc2n1c(C)cc(n2)C

STK563095
Synonyms: 3- benzyl- 2- sulfanyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Sc1nc2c3ccccc3[nH]c2c(=O)n1Cc1ccccc1

STK563097
Synonyms: (4E)- 4- [(4- methoxyphenyl)imino]- 3- nitro- 4H- chromen- 2- ol
Smiles: COc1ccc(cc1)/N=c\1/c([N+](=O)[O-])c(O)oc2c1cccc2

STK846587
Synonyms: methyl4- {(E)- [(3- phenyl- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl)imino]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1

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

STK847081
Synonyms: 3- fluoro- N- [(4E)- 1- phenyl- 1,7- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- ylidene]aniline
Smiles: Fc1cccc(c1)/N=c\1/nc[nH]c2c1cnn2c1ccccc1

STK847082
Synonyms: 7,9- dimethylpyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazin- 4- ol
Smiles: Cc1cc(C)c2c(n1)sc1c2nnnc1O

STK565911
Synonyms: 4- {[(2E)- 3- (2,4- dichlorophenyl)prop- 2- enoyl]amino}- 2- (5- methyl- 1,3- benzoxazol- 3- ium- 2- yl)phenolate
Smiles: O=C(Nc1ccc(c(c1)c1oc2c([nH+]1)cc(cc2)C)[O-])/C=C/c1ccc(cc1Cl)Cl

STK565926
Synonyms: 3- (prop- 2- en- 1- yl)- 2- sulfanyl- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: C=CCn1c(S)nc2c(c1=O)cc1c(n2)CCCC1

STK565927
Synonyms: (2Z)- 4- hydroxy- 2- [(2- methoxyphenyl)imino]- 3- (piperidin- 1- yl)naphthalen- 1(2H)- one
Smiles: COc1ccccc1/N=C\1/C(=C(O)c2c(C1=O)cccc2)N1CCCCC1

STK565931
Synonyms: 4- [({[5- (4- tert- butylphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}acetyl)amino]benzoate
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)[O-])[nH+]nc1c1ccc(cc1)C(C)(C)C

STK565942
Synonyms: 4- (4- hydroxy- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 7- ium- 2- yl)- 2- iodophenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)I)[O-])O

STK565951
Synonyms: 2- (4- {(Z)- [(2E)- (4,6- dimethylpyrimidin- 2(1H)- ylidene)hydrazinylidene]methyl}- 2- methoxyphenoxy)acetamide
Smiles: COc1cc(/C=N\N=c/2\nc(C)cc([nH]2)C)ccc1OCC(=O)N

STK565953
Synonyms: (2E,5Z)- 2- [(4- chlorophenyl)imino]- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: C=CCOc1ccc(cc1)/C=C/1\S/C(=N/c2ccc(cc2)Cl)/N=C1O

STK847086
Synonyms: 2- {(4E)- 4- [(2- chlorophenyl)imino]- 3,4- dihydroquinazolin- 2- yl}phenol
Smiles: Clc1ccccc1/N=c\1/[nH]c(nc2c1cccc2)c1ccccc1O

STK565960
Synonyms: (5E)- 5- ({[3- (1H- imidazol- 1- yl)propyl]amino}methylidene)- 1- (prop- 2- en- 1- yl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: C=CCN1C(=NC(=O)/C(=C\NCCCn2ccnc2)/C1=O)S

STK565963
Synonyms: 7- (3- methoxyphenyl)- 5- (4- methoxyphenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1cccc(c1)OC

STK565973
Synonyms: 6- [4- (2- methylphenyl)- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 3- yl]pyridazin- 3(2H)- one
Smiles: Cc1ccccc1n1c(=S)[nH]nc1c1ccc(=O)[nH]n1

STK565976
Synonyms: (E)- [4,5- dioxo- 1- (pyridinium- 3- ylmethyl)- 2- (3,4,5- trimethoxyphenyl)pyrrolidin- 3- ylidene](4- methoxy- 2- methylphenyl)methanolate
Smiles: COc1ccc(c(c1)C)/C(=C\1/C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)Cc1ccc[nH+]c1)/[O-]

STK847087
Synonyms: 2- hydroxy- 4- (phenylamino)pyridine- 3- carbonitrile
Smiles: N#Cc1c(ccnc1O)Nc1ccccc1

STK847088
Synonyms: 2- {[(2Z)- 4,6,7- trimethylquinazolin- 2(3H)- ylidene]amino}- 1,5,6,7- tetrahydro- 4H- cyclopenta[d]pyrimidin- 4- one
Smiles: Cc1cc2c(C)[nH]/c(=N/c3nc(=O)c4c([nH]3)CCC4)/nc2cc1C

STK847090
Synonyms: (2E)- 5,5- bis(hydroxymethyl)- 2- [(2- methylphenyl)imino]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OCC1(CO)S/C(=N/c2ccccc2C)/N=C1O

STK565995
Synonyms: 4- ethylphenylmethyl[4- (4- nitrophenyl)piperazin- 1- yl]phosphinate
Smiles: CCc1ccc(cc1)OP(=O)(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])C

STK566003
Synonyms: (E)- [4,5- dioxo- 1- (pyridinium- 3- ylmethyl)- 2- (pyridin- 4- yl)pyrrolidin- 3- ylidene](3- methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-]

STK566006
Synonyms: 2- {[(2Z)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]amino}- 6- oxo- 3- [2- (phenylsulfanyl)phenyl]- 3,4,5,6- tetrahydropyrimidine- 4- carboxylicacid
Smiles: O=C1N=C(/N=c/2\nc(C)cc([nH]2)C)N(C(C1)C(=O)O)c1ccccc1Sc1ccccc1

STK566018
Synonyms: (5Z)- 2- [(4- bromophenyl)amino]- 5- (2,4- dimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Br

STK566027
Synonyms: 3- [(5Z)- 4- oxo- 5- (pyridinium- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoate
Smiles: S=C1S/C(=C\c2cccc[nH+]2)/C(=O)N1c1cccc(c1)C(=O)[O-]

STK566029
Synonyms: 3- {(3E)- 2- (4- chlorophenyl)- 3- [hydroxy(phenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)Cl

STK566031
Synonyms: (6Z)- 6- [(3- chloro- 2- methylphenyl)imino]- 4- [(2- methylpiperidin- 1- yl)methyl]- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: CC1CCCCN1Cc1n/c(=N\c2cccc(c2C)Cl)/[nH]c(n1)N

STK566039
Synonyms: (E)- (4- chlorophenyl)[2- (3- fluorophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene]methanolate
Smiles: Fc1cccc(c1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[O-]

STK566043
Synonyms: (5Z)- 6- hydroxy- 3- (3- methylphenyl)- 5- (1H- pyrrol- 2- ylmethylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C/c2ccc[nH]2)/C1=O)O

STK566056
Synonyms: 8- amino- 6- hydroxy- 3- methyl- 7- (3- methylbenzyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1cccc(c1)Cn1c(N)nc2c1c(O)nc(=O)n2C

STK566073
Synonyms: (E)- {1- [2- (dimethylammonio)ethyl]- 2- (3- methoxyphenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(2,4- dimethyl- 1,3- thiazol- 5- yl)methanolate
Smiles: COc1cccc(c1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-]

STK566075
Synonyms: N- (1- hydroxybutan- 2- yl)- 5- (4- hydroxyphthalazin- 1- yl)- 2- methylbenzenesulfonamide
Smiles: CCC(NS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)O)CO

STK566088
Synonyms: (5E)- 1- (3- methylphenyl)- 5- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C\NCCCN2CCOCC2)/C1=O)S

STK847107
Synonyms: ethyl4- [(4- hydroxy- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]butanoate
Smiles: CCOC(=O)CCCSc1nc(O)c2c(n1)sc1c2CCC1

STK566103
Synonyms: methyl(2Z)- [(2Z)- 4- hydroxy- 2- [(phenylcarbonyl)imino]- 1,3- thiazol- 5(2H)- ylidene]ethanoate
Smiles: COC(=O)/C=C/1\S/C(=N\C(=O)c2ccccc2)/N=C1O

STK566116
Synonyms: (2Z)- 3- (1H- benzotriazol- 1- yl)- 4- hydroxy- 2- [(3- methoxyphenyl)imino]naphthalen- 1(2H)- one
Smiles: COc1cccc(c1)/N=C/1\C(=O)c2ccccc2C(=C1n1nnc2c1cccc2)O

STK847109
Synonyms: 2- (4- {[(1E)- 4- methylphthalazin- 1(2H)- ylidene]amino}phenoxy)acetamide
Smiles: NC(=O)COc1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)C

STK566135
Synonyms: (5E)- 1- ethyl- 5- ({[3- (1H- imidazol- 1- yl)propyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN1C(=NC(=O)/C(=C\NCCCn2ccnc2)/C1=O)S

STK566137
Synonyms: 4- {(3E)- 2- (2- fluorophenyl)- 3- [hydroxy(4- methylphenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccccc1F

STK566146
Synonyms: 1- (1,3- benzothiazol- 2- yl)- 4- [(1E)- N- (5- chloro- 2- hydroxyphenyl)ethanimidoyl]- 3- propyl- 1H- pyrazol- 5- ol
Smiles: CCCc1nn(c(c1/C(=N/c1cc(Cl)ccc1O)/C)O)c1nc2c(s1)cccc2

STK566148
Synonyms: N,N- diethyl- 2- [(4- hydroxy- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCN(C(=O)CSc1nc(O)c2c(n1)sc1c2CCCC1)CC

STK847120
Synonyms: N- (2,3- dimethylphenyl)- 2,4- dihydroxy- 5,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)Nc1cccc(c1C)C

STK566153
Synonyms: 2- [4- (cyclopentylammonio)quinazolin- 2- yl]phenolate
Smiles: [O-]c1ccccc1c1nc2ccccc2c(n1)[NH2+]C1CCCC1

STK566159
Synonyms: 6- [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (3,4- dimethoxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]hexanoicacid
Smiles: COc1cc(ccc1OC)C1N(CCCCCC(=O)O)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/O

STK566160
Synonyms: 1- (6- bromo- 4- phenylquinazolin- 2- yl)piperidinium- 4- carboxylate
Smiles: [O-]C(=O)C1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1)Br

STK847123
Synonyms: N- [(2Z)- 4- acetyl- 5- (furan- 2- yl)- 1,3,4- thiadiazolidin- 2- ylidene]acetamide
Smiles: CC(=O)/N=C\1/NN(C(S1)c1ccco1)C(=O)C

STK566174
Synonyms: methyl4- {(E)- [(2Z)- 4,5- dihydro- 3H- [1,2,4]triazino[5,6- b]indol- 3- ylidenehydrazinylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/N=c/1\nnc2c([nH]1)[nH]c1c2cccc1

STK566180
Synonyms: (5E)- 1- (4- fluorobenzyl)- 5- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)CN1C(=NC(=O)/C(=C\NCCCN2CCOCC2)/C1=O)S

STK566183
Synonyms: (5E)- 1- (butan- 2- yl)- 5- ({[3- (1H- imidazol- 1- yl)propyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCC(N1C(=NC(=O)/C(=C\NCCCn2ccnc2)/C1=O)S)C

STK566197
Synonyms: 5- (diethylammonio)- 2- {(E)- [2- (pyridin- 4- ylcarbonyl)hydrazinylidene]methyl}phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/NC(=O)c1ccncc1)CC

STK847129
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 1- methyl- 5- phenylpyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)C)/O

STK566210
Synonyms: 2- methyl- N- (4- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]propanamide
Smiles: Cc1ccc(cc1)N(C(=O)C(C)C)Cc1cc2ccccc2[nH]c1=O

STK566212
Synonyms: 2- hydroxy- N,1- dimethyl- 4- oxo- 1,4- dihydroquinoline- 3- carboxamide
Smiles: CNC(=O)c1c(O)n(C)c2c(c1=O)cccc2

STK566214
Synonyms: (E)- [4,5- dioxo- 2- phenyl- 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(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-]

STK566217
Synonyms: 2- [(1H- 3,1- benzimidazol- 3- ium- 2- ylamino)methyl]- 4- methylphenolate
Smiles: Cc1ccc(c(c1)CNc1[nH]c2c([nH+]1)cccc2)[O-]

STK566218
Synonyms: 3,4- dimethoxy- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- phenylbenzamide
Smiles: COc1cc(ccc1OC)C(=O)N(c1ccccc1)Cc1cc2ccccc2[nH]c1=O

STK566235
Synonyms: 4- (2- fluorophenyl)- 5- hydroxy- 2- methyl- 4H- indeno[1,2- b]pyridine- 3- carbonitrile
Smiles: N#CC1=C(C)N=C2C(=C(O)c3c2cccc3)C1c1ccccc1F

STK566239
Synonyms: methyl(3E)- 2- hydroxy- 3- [hydroxy(phenyl)methylidene]- 1- (4- methoxyphenyl)- 4,5- dioxoprolinate
Smiles: COC(=O)C1(O)N(c2ccc(cc2)OC)C(=O)C(=O)/C/1=C(\c1ccccc1)/O

STK566244
Synonyms: 6- chloro- 3- (morpholin- 4- ylmethyl)- 4- phenylquinolin- 2- ol
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)CN1CCOCC1

STK847133
Synonyms: 2- (4- {[(1E)- 4- (4- methyl- 3- sulfamoylphenyl)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

STK566247
Synonyms: 3- (3- hydroxy- 5- methyl- 1H- pyrazol- 4- yl)- N'- [(E)- (3- hydroxyphenyl)methylidene]propanehydrazide
Smiles: O=C(CCc1c(O)n[nH]c1C)N/N=C/c1cccc(c1)O

STK847134
Synonyms: 2- [(2,2,6,6- tetramethylpiperidinium- 4- yl)carbamoyl]cyclohexanecarboxylate
Smiles: O=C(C1CCCCC1C(=O)[O-])NC1CC(C)(C)[NH2+]C(C1)(C)C

STK566252
Synonyms: 1- cyclopropyl- 4,6- dihydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidine- 2(1H)- thione
Smiles: Oc1nc(=S)n(c(c1C1NCCc2c1cccc2)O)C1CC1

STK847135
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 3- oxobutanamide
Smiles: CC(=O)CC(=O)/N=c\1/sc2c([nH]1)cccc2

STK566259
Synonyms: N- (2,3- dimethylphenyl)- 4- methyl- 2- sulfanyl- 6- (thiophen- 2- yl)- 1,6- dihydropyrimidine- 5- carboxamide
Smiles: SC1=NC(=C(C(N1)c1cccs1)C(=O)Nc1cccc(c1C)C)C

STK566262
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- (thiophen- 2- yl)pyrrolidin- 3- ylidene}(3- methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCCn1cc[nH+]c1)/[O-]

STK566263
Synonyms: 3- {(3E)- 2- (2- chlorophenyl)- 3- [(2E)- 1- hydroxy- 3- phenylprop- 2- en- 1- ylidene]- 4,5- dioxopyrrolidin- 1- yl}benzoicacid
Smiles: OC(=O)c1cccc(c1)N1C(=O)C(=O)/C(=C(\C=C\c2ccccc2)/O)/C1c1ccccc1Cl

STK566266
Synonyms: N- [4- cyano- 2- hydroxy- 5- methyl- 3- (trifluoromethyl)- 3H- pyrrol- 3- yl]- 3- (4- methoxyphenyl)propanamide
Smiles: N#CC1=C(C)N=C(C1(NC(=O)CCc1ccc(cc1)OC)C(F)(F)F)O

STK566274
Synonyms: (E)- (2,4- dimethyl- 1,3- thiazol- 5- yl)[2- (3- nitrophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene]methanolate
Smiles: Cc1sc(c(n1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[O-]

STK566275
Synonyms: N'- [(E)- (1- cyclopropyl- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S

STK566286
Synonyms: 5- methyl- 7- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: CC1=CC(c2ccccc2)n2c(=N1)[nH]cn2

STK847140
Synonyms: (2E)- 2- [(2- bromophenyl)imino]- 5,5- bis(hydroxymethyl)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OCC1(CO)S/C(=N/c2ccccc2Br)/N=C1O

STK566305
Synonyms: 8- {[(2,4- dichlorophenyl)carbonyl]amino}- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinolinium- 4- carboxylate
Smiles: [O-]C(=O)C1[NH2+]c2ccc(cc2C2C1CC=C2)NC(=O)c1ccc(cc1Cl)Cl

STK566323
Synonyms: (5Z)- 1- cyclohexyl- 5- (1H- pyrrol- 2- ylmethylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: SC1=NC(=O)/C(=C/c2ccc[nH]2)/C(=O)N1C1CCCCC1

STK566328
Synonyms: (5Z)- 1- (4- bromophenyl)- 2- hydroxy- 5- (4- hydroxy- 3,5- dimethoxybenzylidene)pyrimidine- 4,6(1H,5H)- dione
Smiles: COc1cc(/C=C\2/C(=O)N=C(N(C2=O)c2ccc(cc2)Br)O)cc(c1O)OC

STK566329
Synonyms: N- methyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]furan- 2- carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1ccco1)C

STK566330
Synonyms: (2- {(Z)- [1- (4- ethoxyphenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}phenoxy)aceticacid
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(/C(=C/c2ccccc2OCC(=O)O)/C1=O)O

STK847146
Synonyms: 5- (4- methoxyphenyl)- 4- {[(E)- (1- methyl- 1H- pyrrol- 2- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccn1C

STK566349
Synonyms: (5Z)- 1- acetyl- 5- [(2- hydroxyquinolin- 3- yl)methylidene]- 2- sulfanyl- 1,5- dihydro- 4H- imidazol- 4- one
Smiles: CC(=O)N1C(=NC(=O)/C/1=C/c1cc2ccccc2nc1O)S

STK566351
Synonyms: (4Z)- 4- {(2Z)- [1- (4- bromophenyl)ethylidene]hydrazinylidene}- 2- (pyridin- 3- yl)- 3,4- dihydroquinazoline
Smiles: Brc1ccc(cc1)/C(=N\N=c\1/[nH]c(nc2c1cccc2)c1cccnc1)/C

STK566352
Synonyms: 2- chloro- N- [4- hydroxy- 2,6- dioxo- 1- phenyl- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]acetamide
Smiles: ClCC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccccc1)C(F)(F)F

STK566354
Synonyms: (5Z)- 3- (3- chloro- 4- methylphenyl)- 5- (3,4- dihydroxybenzylidene)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C\c1ccc(c(c1)O)O)c1ccc(c(c1)Cl)C

STK847150
Synonyms: N- [(2E)- 6- chloro- 4- phenylquinazolin- 2(1H)- ylidene]- 4- methyl- 6- (trifluoromethyl)pyrimidin- 2- amine
Smiles: Cc1nc(/N=c/2\[nH]c3ccc(cc3c(n2)c2ccccc2)Cl)nc(c1)C(F)(F)F

STK566362
Synonyms: (E)- [4,5- dioxo- 1- (pyridinium- 3- ylmethyl)- 2- (pyridin- 4- yl)pyrrolidin- 3- ylidene](4- methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-]

STK847153
Synonyms: 1- [(2E)- 6- ethoxy- 1,3- benzothiazol- 2(3H)- ylidene]- 3- phenylurea
Smiles: CCOc1ccc2c(c1)s/c(=N/C(=O)Nc1ccccc1)/[nH]2

STK566371
Synonyms: (6E)- 6- [(4- methoxyphenyl)imino]- 4- [(4- methylpiperazin- 1- yl)methyl]- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccc(cc1)/N=c\1/nc(CN2CCN(CC2)C)nc([nH]1)N

STK566372
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (propan- 2- yloxy)propyl]- 3- methyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCC1)COC(C)C

STK566377
Synonyms: (4E)- 4- (1- hydroxyethylidene)- 1- (2- methoxyethyl)- 5- (3- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1cccc(c1)[N+](=O)[O-]

STK566392
Synonyms: (E)- {1- [3- (dimethylammonio)propyl]- 4,5- dioxo- 2- [4- (propan- 2- yloxy)phenyl]pyrrolidin- 3- ylidene}(4- propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)CCC[NH+](C)C)/[O-]

STK566394
Synonyms: benzyl6- hydroxy- 1,3- dimethyl- 2,4- dioxo- N- phenyl- 1,2,3,4- tetrahydropyrimidine- 5- carbimidothioate
Smiles: Oc1c(/C(=N/c2ccccc2)/SCc2ccccc2)c(=O)n(c(=O)n1C)C

STK566395
Synonyms: 5- benzyl- N- [(2E)- 4,6- dimethylquinazolin- 2(1H)- ylidene]- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)Cc1ccccc1)/[nH]2

STK566397
Synonyms: (5E)- 5- {[(3- aminophenyl)amino]methylidene}- 6- hydroxy- 2- sulfanylpyrimidin- 4(5H)- one
Smiles: SC1=NC(=O)/C(=C/Nc2cccc(c2)N)/C(=N1)O

STK847157
Synonyms: N- (3,4- dichlorophenyl)- 2- {[(2E)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]amino}- 4,5- dihydro- 1H- imidazole- 1- carboxamide
Smiles: Cc1cc(C)[nH]/c(=N\C2=NCCN2C(=O)Nc2ccc(c(c2)Cl)Cl)/n1

STK566400
Synonyms: 6- methyl- 3- [(methylamino)methyl]quinolin- 2(1H)- one
Smiles: CNCc1cc2cc(C)ccc2[nH]c1=O

STK566405
Synonyms: (2E,5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 2- {[2- (trifluoromethyl)phenyl]imino}- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: COc1cc(ccc1O)/C=C/1\S/C(=N/c2ccccc2C(F)(F)F)/N=C1O

STK566406
Synonyms: (E)- [2- (3- hydroxyphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: Oc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK847158
Synonyms: 1- [(2Z)- 5- benzyl- 4- hydroxy- 6- methylpyrimidin- 2(1H)- ylidene]- 3- (4- methoxyphenyl)guanidine
Smiles: COc1ccc(cc1)NC(=N)/N=c/1\nc(O)c(c([nH]1)C)Cc1ccccc1

STK566415
Synonyms: 4- butyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine- 7(8H)- thione
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)nc[nH]c3=S

STK847161
Synonyms: 2- phenyl- 1,2,4- triazaspiro[4.6]undec- 3- ene- 3- thiol
Smiles: SC1=NC2(NN1c1ccccc1)CCCCCC2

STK847162
Synonyms: (5Z)- 1- phenyl- 2- sulfanyl- 5- (thiophen- 2- ylmethylidene)pyrimidine- 4,6(1H,5H)- dione
Smiles: SC1=NC(=O)/C(=C/c2cccs2)/C(=O)N1c1ccccc1

STK566424
Synonyms: N- [(2E)- 6- (4- chlorophenyl)- 4- (trifluoromethyl)pyrimidin- 2(1H)- ylidene]- 4- fluoroaniline
Smiles: Fc1ccc(cc1)/N=c/1\[nH]c(cc(n1)C(F)(F)F)c1ccc(cc1)Cl

STK847167
Synonyms: 1- [(2Z)- 5- benzyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (2- fluorophenyl)urea
Smiles: O=C(Nc1ccccc1F)/N=c\1/[nH]nc(s1)Cc1ccccc1

STK566426
Synonyms: 2- [(6- methyl- 4- phenylquinazolin- 2- yl)ammonio]propanoate
Smiles: [O-]C(=O)C([NH2+]c1nc2ccc(cc2c(n1)c1ccccc1)C)C

STK566434
Synonyms: 6- hydroxy- 4- oxo- N- [(2E)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 1,2- dihydro- 4H- pyrrolo[3,2,1- ij]quinoline- 5- carboxamide
Smiles: CCCc1n[nH]/c(=N\C(=O)c2c(O)c3cccc4c3n(c2=O)CC4)/s1

STK566436
Synonyms: 3- {[(E)- {1- [2- (3,4- dimethoxyphenyl)ethyl]- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene}methyl]amino}benzoicacid
Smiles: COc1cc(CCN2C(=O)N=C(/C(=C\Nc3cccc(c3)C(=O)O)/C2=O)O)ccc1OC

STL036503
Synonyms: 4- (propan- 2- yl)- 3,4,5,6,7,8- hexahydroquinazoline- 2(1H)- thione
Smiles: S=C1NC2=C(C(N1)C(C)C)CCCC2

STK847168
Synonyms: N- [(6- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)methyl]- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NCc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK566441
Synonyms: 6- (propan- 2- yl)- 4- sulfanyl- 1,5,6,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 2- thione
Smiles: CC(C1OCc2c(C1)c1c(S)nc(=S)[nH]c1s2)C

STK566442
Synonyms: (5E)- 5- (2,5- dimethoxybenzylidene)- 1- [2- (4- fluorophenyl)ethyl]- 2- hydroxypyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1/C=C/1\C(=O)N=C(N(C1=O)CCc1ccc(cc1)F)O)OC

STK566443
Synonyms: 5- (2,4- dichlorophenyl)- 4- {[(E)- (2,4,5- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(OC)c(cc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1Cl)Cl)OC

STK566452
Synonyms: 4- [9- (prop- 2- en- 1- yl)- 9H- imidazo[1,2- a]benzimidazol- 1- ium- 2- yl]phenolate
Smiles: C=CCn1c2[nH+]c(cn2c2c1cccc2)c1ccc(cc1)[O-]

STK847173
Synonyms: methyl4- [({[4- hydroxy- 6- (trifluoromethyl)pyrimidin- 2- yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nc(O)cc(n1)C(F)(F)F

STK566473
Synonyms: 4- [(5Z)- 4- oxo- 5- (pyridinium- 4- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoate
Smiles: [O-]C(=O)CCCN1C(=S)S/C(=C\c2cc[nH+]cc2)/C1=O

STK566486
Synonyms: (2Z)- (methoxyimino)[(2Z)- 2- (propan- 2- ylidenehydrazinylidene)- 2,3- dihydro- 1,3- thiazol- 4- yl]ethanoicacid
Smiles: CO/N=C(/c1cs/c(=N\N=C(C)C)/[nH]1)\C(=O)O

STK566488
Synonyms: 1- [(2Z)- 6- methyl- 4- oxo- 3,4- dihydropyrimidin- 2(1H)- ylidene]- 2- (3- methylphenyl)guanidine
Smiles: Cc1cccc(c1)/N=C(/N=c\1/[nH]c(C)cc(=O)[nH]1)\N

STK566489
Synonyms: N,N- diethyl- 4- {(4E)- 4- [(2- methylphenyl)imino]- 3,4- dihydrophthalazin- 1- yl}benzamide
Smiles: CCN(C(=O)c1ccc(cc1)c1n[nH]/c(=N/c2ccccc2C)/c2c1cccc2)CC

STK566491
Synonyms: 7- hydroxy- 5- oxo- N- [(2E)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 6- carboxamide
Smiles: O=C(c1c(O)c2cccc3c2n(c1=O)CCC3)/N=c/1\[nH]nc(s1)C(C)C

STK566510
Synonyms: (4Z)- 4- [(2E)- 1- hydroxy- 3- phenylprop- 2- en- 1- ylidene]- 5- (4- nitrophenyl)- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: O/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1cccc(c1)C(F)(F)F)/C=C/c1ccccc1

STK566519
Synonyms: 7- (4- chlorophenyl)- 5- (4- methylphenyl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Cc1ccc(cc1)C1=CC(n2c(=N1)[nH]cn2)c1ccc(cc1)Cl

STK566525
Synonyms: (E)- [2- (4- ethylphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](4- methoxy- 3- methylphenyl)methanolate
Smiles: CCc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)C)OC)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK566530
Synonyms: 7- benzyl- 8- [(2,3- dihydroxypropyl)sulfanyl]- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCC(CSc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C)O

STK566532
Synonyms: (E)- (3- chloro- 4- methoxyphenyl){1- [2- (dimethylammonio)ethyl]- 4,5- dioxo- 2- (pyridin- 3- yl)pyrrolidin- 3- ylidene}methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CC[NH+](C)C)/[O-]

STK566556
Synonyms: 1- [(2E)- 5- (cyclohex- 1- en- 1- ylmethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (4- methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)/N=c/1\[nH]nc(s1)CC1=CCCCC1

STK566557
Synonyms: 1- ethyl- 2- hydroxy- 1H- anthra[1,2- d]imidazole- 6,11- dione
Smiles: CCn1c(O)nc2c1c1C(=O)c3ccccc3C(=O)c1cc2

STK566570
Synonyms: 2- [(5Z)- 4- oxo- 5- (pyridinium- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoate
Smiles: CCC(N1C(=S)S/C(=C\c2ccc[nH+]c2)/C1=O)C(=O)[O-]

STK566574
Synonyms: 1- (1,3- benzothiazol- 2- yl)- 4- [(1E)- N- (3,5- dimethoxyphenyl)ethanimidoyl]- 3- methyl- 1H- pyrazol- 5- ol
Smiles: COc1cc(OC)cc(c1)/N=C(/c1c(C)nn(c1O)c1nc2c(s1)cccc2)\C

STK566578
Synonyms: 4- {[(1Z)- 4- (4- hydroxyphenyl)phthalazin- 1(2H)- ylidene]amino}- N,N- dimethylbenzamide
Smiles: Oc1ccc(cc1)c1n[nH]/c(=N\c2ccc(cc2)C(=O)N(C)C)/c2c1cccc2

STK566580
Synonyms: (E)- [2- (2,5- dimethoxyphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)OC

STK566583
Synonyms: 4- [(E)- {2- [4- (3- chloro- 4- methylphenyl)piperazin- 4- ium- 1- yl]- 4- oxo- 1,3- thiazol- 5(4H)- ylidene}methyl]- 2- nitrophenolate
Smiles: O=C1N=C(S/C/1=C/c1ccc(c(c1)[N+](=O)[O-])[O-])N1CC[NH+](CC1)c1ccc(c(c1)Cl)C

STK566585
Synonyms: (E)- {2- (4- 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-])/C1c1ccc(cc1)Br)CC

STK847191
Synonyms: (5E)- 1- (3- methylphenyl)- 5- [(5- nitrothiophen- 2- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C\c2ccc(s2)[N+](=O)[O-])/C1=O)S

STK847196
Synonyms: 6- methyl- 3- {[(3- methylphenyl)amino]methyl}quinolin- 2(1H)- one
Smiles: Cc1cccc(c1)NCc1cc2cc(C)ccc2[nH]c1=O

STK566612
Synonyms: (2Z)- 2- (1H- benzimidazol- 2- yl)- 3- hydroxy- 3- (naphthalen- 1- yl)prop- 2- enenitrile
Smiles: N#C/C(=C(\c1cccc2c1cccc2)/O)/c1nc2c([nH]1)cccc2

STK566614
Synonyms: 3- {[(2E)- 4- hydroxy- 5,5- bis(hydroxymethyl)- 1,3- thiazol- 2(5H)- ylidene]amino}benzoicacid
Smiles: OCC1(CO)S/C(=N/c2cccc(c2)C(=O)O)/N=C1O

STK566619
Synonyms: (5E)- 1- butyl- 5- [(morpholin- 4- ylamino)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCCCN1C(=NC(=O)/C(=C\NN2CCOCC2)/C1=O)S

STK566625
Synonyms: 5- {(4E)- 4- [(2,5- dimethylphenyl)imino]- 3,4- dihydrophthalazin- 1- yl}- N- (2- hydroxyethyl)- 2- methylbenzenesulfonamide
Smiles: OCCNS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N/c2cc(C)ccc2C)/c2c1cccc2

STK847200
Synonyms: 1- [5- (4- chlorophenyl)- 7- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]pyrrolidine- 2,5- dione
Smiles: Clc1ccc(cc1)C1=CC(n2c(=N1)[nH]c(n2)N1C(=O)CCC1=O)c1ccccc1

STK566631
Synonyms: 4- butyl- N- [(4E)- 1- phenyl- 1,7- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- ylidene]aniline
Smiles: CCCCc1ccc(cc1)/N=c\1/nc[nH]c2c1cnn2c1ccccc1

STK566639
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- [4- (propan- 2- yl)phenyl]pyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: CC(c1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)C

STK566643
Synonyms: 1- imino- 6- methyl- 7- phenyl- 4- (propan- 2- yl)- 6,7- dihydro- 3,6- epoxypyrano[3,4- c]pyrrole- 3a,7a(1H,4H)- dicarbonitrile
Smiles: N#CC12C(=N)N=C3C2(C#N)C(OC(C1c1ccccc1)(C)O3)C(C)C

STK566656
Synonyms: N- (1H- benzimidazol- 2- ylmethyl)- 5- [(4E)- 4- (1,3- benzodioxol- 5- ylimino)- 3,4- dihydrophthalazin- 1- yl]- 2- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCc1nc2c([nH]1)cccc2)c1n[nH]/c(=N/c2ccc3c(c2)OCO3)/c2c1cccc2

STK566670
Synonyms: 2- (5- bromo- 2,3- dihydroxy- 3H- indol- 3- yl)- 1- (5- bromothiophen- 2- yl)ethanone
Smiles: Brc1ccc2c(c1)C(O)(CC(=O)c1ccc(s1)Br)C(=N2)O

STK847212
Synonyms: 1- [(2Z)- 5- [(E)- 2- (2- chlorophenyl)ethenyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (4- methylphenyl)urea
Smiles: Cc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)/C=C/c1ccccc1Cl

STK566682
Synonyms: 8- (ethylamino)- 6- hydroxy- 3- methyl- 7- (3- methylbenzyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCNc1nc2c(n1Cc1cccc(c1)C)c(O)nc(=O)n2C

STK847214
Synonyms: benzyl6'- amino- 5'- cyano- 3'- methyl- 1H,1'H- spiro[piperidine- 4,4'- pyrano[2,3- c]pyrazole]- 1- carboxylate
Smiles: N#CC1=C(N)Oc2c(C31CCN(CC3)C(=O)OCc1ccccc1)c(C)n[nH]2

STK566693
Synonyms: (5E)- 5- {[(3- aminophenyl)amino]methylidene}- 3- (4- chlorophenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\Nc2cccc(c2)N)/C1=O)O

STK566696
Synonyms: 9- hydrazinyl- 5,6- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7- ol
Smiles: NNc1nc(O)c2c(n1)sc1c2CCc2c1cccc2

STK566699
Synonyms: 7- hydroxy- 1- (pentan- 3- yl)- 4- phenyl- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccccc1)CC

STK566726
Synonyms: 1- butyl- N- (3,4- dimethoxybenzyl)- 2- hydroxy- 4- oxo- 1,4- dihydroquinoline- 3- carboxamide
Smiles: CCCCn1c(O)c(C(=O)NCc2ccc(c(c2)OC)OC)c(=O)c2c1cccc2

STK847217
Synonyms: 5- {[(4- amino- 5,6- dimethylthieno[2,3- d]pyrimidin- 2- yl)sulfanyl]methyl}- 4- phenyl- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc(c2C)C

STK566732
Synonyms: 5- {(2,4- dihydroxy- 6- oxo- 1- phenyl- 1,6- dihydropyrimidin- 5- yl)[4- methoxy- 3- (morpholin- 4- ium- 4- ylmethyl)phenyl]methyl}- 2,6- dioxo- 1- phenyl- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1ccc(cc1C[NH+]1CCOCC1)C(c1c([O-])[nH]c(=O)n(c1=O)c1ccccc1)c1c(O)nc(n(c1=O)c1ccccc1)O

STK566735
Synonyms: 6- phenyl- 5,6,6a,7,8,9,10,10a- octahydro- 7,10- methanophenanthridinium- 2- carboxylate
Smiles: [O-]C(=O)c1ccc2c(c1)C1C3CCC(C1C([NH2+]2)c1ccccc1)C3

STK566736
Synonyms: N- [(1E)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)ethyl]glycine
Smiles: OC(=O)CN/C(=C/1\C(=NC(=NC1=O)O)O)/C

STK566739
Synonyms: N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methoxyphenyl)tetrahydrofuran- 2- carboxamide
Smiles: COc1ccc(cc1)N(C(=O)C1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O

STK566751
Synonyms: 5- fluoro- 2- hydroxy- 6'- methyl- 2'- phenyl- 4H- 1,4'- bipyrimidin- 4- one
Smiles: Cc1nc(nc(c1)n1cc(F)c(=O)nc1O)c1ccccc1

STK566756
Synonyms: (5E)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 1- [2- (4- fluorophenyl)ethyl]- 2- hydroxypyrimidine- 4,6(1H,5H)- dione
Smiles: CCOc1cc(ccc1O)/C=C/1\C(=O)N=C(N(C1=O)CCc1ccc(cc1)F)O

STK847221
Synonyms: (2E)- 5,5- bis(hydroxymethyl)- 2- [(4- methoxyphenyl)imino]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OCC1(CO)S/C(=N/c2ccc(cc2)OC)/N=C1O

STK566769
Synonyms: (2E,5Z)- 2- [(2- bromophenyl)imino]- 5- (1H- indol- 3- ylmethylidene)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OC1=N/C(=N\c2ccccc2Br)/S/C/1=C\c1c[nH]c2c1cccc2

STK566771
Synonyms: 4- {[(E)- (3,4- dimethoxyphenyl)methylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1OC)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK847222
Synonyms: [5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazol- 4- yl](3- methylphenyl)methanone
Smiles: Cc1ccc(c(c1)O)c1[nH]ncc1C(=O)c1cccc(c1)C

STK566777
Synonyms: (1E)- 1- [(4- ethoxyphenyl)imino]- 2- ethyl- 3- methyl- 1,5- dihydropyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCOc1ccc(cc1)/N=c/1\c(CC)c(C)c(c2n1c1ccccc1[nH]2)C#N

STK566782
Synonyms: [5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazol- 4- yl](2- methylphenyl)methanone
Smiles: Cc1ccc(c(c1)O)c1[nH]ncc1C(=O)c1ccccc1C

STK566784
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (naphthalen- 2- yloxy)propyl]- 3- methyl- 8- thioxo- 3,7,8,9- tetrahydro- 2H- purin- 2- one
Smiles: OC(Cn1c(=S)[nH]c2c1c(O)nc(=O)n2C)COc1ccc2c(c1)cccc2

STK566786
Synonyms: 4- {[(E)- (2- methoxyphenyl)methylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK566806
Synonyms: (2- {(Z)- [4- hydroxy- 1- (3- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1ccccc1/C=C\1/C(=NC(=O)N(C1=O)c1cccc(c1)C)O

STK847228
Synonyms: (5E)- 2- hydroxy- 5- (1H- indol- 3- ylmethylidene)- 1- (4- methoxyphenyl)pyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2c[nH]c3c2cccc3)/C1=O)O

STK566814
Synonyms: (4E)- 4- [(2E)- (3- hydroxybenzylidene)hydrazinylidene]- 3,4- dihydropyrimidin- 2(1H)- one
Smiles: Oc1cccc(c1)/C=N/N=c/1\cc[nH]c(=O)[nH]1

STK566822
Synonyms: 9- fluoro- 10- (4- methylpiperazin- 4- ium- 1- yl)- 7- oxo- 2,3- dihydro- 7H- [1,4]thiazino[2,3,4- ij]quinoline- 6- carboxylate
Smiles: C[NH+]1CCN(CC1)c1c(F)cc2c3c1SCCn3cc(c2=O)C(=O)[O-]

STK566827
Synonyms: (1S)- 1- {5- [(4- methylbenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- phenylethanamine
Smiles: Cc1ccc(cc1)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STK566830
Synonyms: (5E)- 1- butyl- 5- [(1- propyl- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCCCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CCC)/C1=O)S

STK566832
Synonyms: (2E)- 3- (3- bromo- 4- methoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1ccc(cc1Br)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STK847229
Synonyms: (2Z)- 7- (furan- 2- yl)- 2- [(3- methylphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Cc1cccc(c1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccco1

STK566836
Synonyms: ethyl(2Z)- 10- methyl- 2- {[(3- nitrophenyl)carbonyl]imino}- 5- oxo- 1- (tetrahydrofuran- 2- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cccc(c1)[N+](=O)[O-])CC1CCCO1)nc1n(c2=O)cccc1C

STK566842
Synonyms: 2- ethyl- 4- [4- (2- methoxyphenyl)piperazin- 1- yl][1]benzofuro[3,2- d]pyrimidine
Smiles: CCc1nc(N2CCN(CC2)c2ccccc2OC)c2c(n1)c1ccccc1o2

STK566847
Synonyms: (5E)- 2- hydroxy- 6- oxo- 5- (1- {[2- (piperazin- 1- ium- 1- yl)ethyl]amino}propylidene)- 5,6- dihydropyrimidin- 4- olate
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)[O-])/NCC[NH+]1CCNCC1

STK566849
Synonyms: (2Z)- 7- (4- fluorophenyl)- 2- [(4- methoxyphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)F

STK566857
Synonyms: 4- methyl- N- [(4E)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]aniline
Smiles: Cc1ccc(cc1)/N=c\1/[nH]c(C)nc2c1oc1c2cccc1

STK566864
Synonyms: 4- {[4- (2- fluorophenyl)piperazin- 4- ium- 1- yl]carbonothioyl}- 2- methoxyphenolate
Smiles: COc1cc(ccc1[O-])C(=S)N1CC[NH+](CC1)c1ccccc1F

STK566871
Synonyms: N- (2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)- L- valine
Smiles: CC([C@@H](C(=O)O)Nc1nc(nc2c1oc1c2cccc1)c1ccccc1)C

STK566872
Synonyms: 2- [(2Z)- 2- (2- amino- 6- hydroxy- 4- oxopyrimidin- 5(4H)- ylidene)hydrazinyl]- 5- bromobenzoicacid
Smiles: NC1=NC(=O)/C(=N\Nc2ccc(cc2C(=O)O)Br)/C(=N1)O

STK566878
Synonyms: ethyl(2Z)- 10- methyl- 2- {[(4- nitrophenyl)carbonyl]imino}- 5- oxo- 1- (tetrahydrofuran- 2- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccc(cc1)[N+](=O)[O-])CC1CCCO1)nc1n(c2=O)cccc1C

STK566881
Synonyms: (5E)- 2,6- dihydroxy- 5- (1- {[4- (propan- 2- yl)phenyl]amino}propylidene)pyrimidin- 4(5H)- one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1ccc(cc1)C(C)C

STK566882
Synonyms: N- [(4- phenylpiperazin- 1- yl)carbonyl]- L- phenylalanine
Smiles: O=C(N1CCN(CC1)c1ccccc1)N[C@H](C(=O)O)Cc1ccccc1

STK566889
Synonyms: 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 5- ol
Smiles: Oc1nc2sc3c(c2c2n1ncn2)CC(OC3)(C)C

STK566892
Synonyms: (4Z)- 6- (azepan- 1- ylmethyl)- 4- [(4- methylphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CCCCCC1

STK566893
Synonyms: 3- {[(2,4- dimethoxyphenyl)sulfonyl]amino}- 5- methoxy- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc(c(c1)OC)S(=O)(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)O

STK566898
Synonyms: (2Z)- 3- {4- [(4- chlorobenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Clc1ccc(cc1)COc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK566905
Synonyms: 2- [4- (2- methoxyphenoxy)- 1H- pyrazol- 5- yl]- 5- [(4- nitrobenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cn[nH]c1c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

STK566922
Synonyms: N- [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- hydroxybenzamide
Smiles: Oc1cccc(c1)C(=O)NN1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK847239
Synonyms: 3- [5- (4- fluorophenyl)- 1,2,4- oxadiazol- 3- yl]- 7- methylquinolin- 2(1H)- one
Smiles: Fc1ccc(cc1)c1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STK566924
Synonyms: N- [(4- {[(3Z)- 3- {[(4- chlorophenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}phenyl)carbonyl]glycine
Smiles: OC(=O)CNC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)Cl

STK566940
Synonyms: N- [(4- methoxyphenyl)carbamoyl]- L- valine
Smiles: COc1ccc(cc1)NC(=O)N[C@H](C(=O)O)C(C)C

STK566948
Synonyms: 2- [(4- fluorobenzyl)sulfanyl]- 5- [(2S)- pyrrolidin- 2- yl]- 1,3,4- oxadiazole
Smiles: Fc1ccc(cc1)CSc1nnc(o1)[C@@H]1CCCN1

STK566951
Synonyms: 5- (1- methyl- 1H- 3,1- benzimidazol- 3- ium- 2- yl)thiophene- 2- sulfonate
Smiles: Cn1c([nH+]c2c1cccc2)c1ccc(s1)S(=O)(=O)[O-]

STK566957
Synonyms: 2- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 3a,4,7,7a- tetrahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1CC(c2ccc(cc2)Cl)n2c(=N1)[nH]c(n2)N1C(=O)C2C(C1=O)CC=CC2

STK566959
Synonyms: 9'- (2- chlorophenyl)- 7'- hydroxy- 8',9'- dihydro- 1'H- spiro[cyclohexane- 1,2'- pyrido[3',2':4,5]thieno[3,2- d]pyrimidin]- 4'(3'H)- one
Smiles: OC1=Nc2sc3c(c2C(C1)c1ccccc1Cl)NC1(NC3=O)CCCCC1

STK566960
Synonyms: 5''- chloro- 2'- [(3- nitrophenyl)carbonyl]- 5',6',7',7a'- tetrahydrodispiro[indole- 3,1'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Clc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C2(C1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1

STK566962
Synonyms:
Smiles: Clc1ccc(c(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2)C

STK847240
Synonyms: 7- (2,4- dimethylphenyl)- 3- (thiophen- 2- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1ccc(c(c1)C)n1ncc2c1ncn1c2nnc1c1cccs1

STK566965
Synonyms: 6- (4- chlorophenyl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)C1=Nn2c(SC1)nnc2c1[nH]nc2c1CCC2

STK566967
Synonyms: (5E)- 1- methyl- 4,6- dioxo- 5- ({[4- (piperidinium- 1- ylmethyl)phenyl]amino}methylidene)- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: CN1C(=NC(=O)/C(=C\Nc2ccc(cc2)C[NH+]2CCCCC2)/C1=O)[S-]

STK566968
Synonyms: 7- (3- chloro- 4- methylphenyl)- 2- (4- chlorophenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(cc1)c1nc2n(n1)cnc1c2cnn1c1ccc(c(c1)Cl)C

STK847241
Synonyms: 7- (1H- benzimidazol- 2- ylsulfanyl)- 8- methyl[1,3]dioxolo[4,5- g]quinolin- 6- ol
Smiles: Oc1nc2cc3OCOc3cc2c(c1Sc1nc2c([nH]1)cccc2)C

STK566973
Synonyms: 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4- {[(E)- (2,4,5- trimethoxyphenyl)methylidene]amino}- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1cc(OC)c(cc1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1)OC

STK566975
Synonyms: N- [5,7- bis(4- methoxyphenyl)- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]methanesulfonamide
Smiles: COc1ccc(cc1)C1Nc2nc(nn2C(C1)c1ccc(cc1)OC)NS(=O)(=O)C

STK566978
Synonyms: 2- ({[4- (furan- 2- ylmethyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: Cc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1nc2c([nH]1)cccc2

STK566980
Synonyms: (2Z)- N~6~- (2,5- dimethoxyphenyl)- 2- [(3- methylphenyl)imino]- 5- nitro- 1,2- dihydropyrimidine- 4,6- diamine
Smiles: COc1ccc(c(c1)Nc1[nH]/c(=N/c2cccc(c2)C)/nc(c1[N+](=O)[O-])N)OC

STK566986
Synonyms: N- [(2Z)- 5- (1H- indol- 3- ylmethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]propanamide
Smiles: CCC(=O)/N=c\1/[nH]nc(s1)Cc1c[nH]c2c1cccc2

STK566998
Synonyms: tert- butyl[(2S)- 1- {(2E)- 2- [(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methylidene]hydrazinyl}- 4- methyl- 1- oxopentan- 2- yl]carbamate(non- preferredname)
Smiles: CC(C[C@@H](C(=O)N/N=C/c1c(C)nc(nc1O)O)NC(=O)OC(C)(C)C)C

STK566999
Synonyms: ethyl(2Z)- 1- (3- methoxypropyl)- 10- methyl- 2- {[(2- nitrophenyl)carbonyl]imino}- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK847244
Synonyms: 10- [3- (morpholin- 4- yl)propyl]- 2- nitro- 10H- indolo[3,2- b]quinoline
Smiles: [O-][N+](=O)c1ccc2c(c1)cc1c(n2)c2c(n1CCCN1CCOCC1)cccc2

STK567010
Synonyms: 2- {[5- (2- aminoethyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}- N- (3- chlorophenyl)acetamide
Smiles: NCCc1nnc(o1)SCC(=O)Nc1cccc(c1)Cl

STK567012
Synonyms: (4E)- 4- [hydroxy(5- methylfuran- 2- yl)methylidene]- 1- {5- [(4- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 5- (pyridin- 3- yl)pyrrolidine- 2,3- dione
Smiles: Cc1ccc(cc1)CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc(o2)C)/O)/C1c1cccnc1

STK567016
Synonyms: ethyl(2Z)- 1- (3- ethoxypropyl)- 10- methyl- 2- {[(2- methyl- 3- nitrophenyl)carbonyl]imino}- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOCCCn1/c(=N\C(=O)c2cccc(c2C)[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK567022
Synonyms: 1,4- dimethyl- 6- (4- methylpiperazin- 1- yl)- 2- oxo- 5- {(Z)- [4- oxo- 3- (1- phenylethyl)- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 1,2- dihydropyridine- 3- carbonitrile
Smiles: N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)C(c2ccccc2)C)c(n(c1=O)C)N1CCN(CC1)C

STK567028
Synonyms: 1- (3- methoxypropyl)- 2- (4- nitrophenyl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: COCCCn1c(nc2c1nc1ccccc1n2)c1ccc(cc1)[N+](=O)[O-]

STK567029
Synonyms: [4- (4- amino- 6,7- dimethoxyquinazolin- 2- yl)piperazin- 1- yl](tetrahydrofuran- 2- yl)methanone
Smiles: COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)C1CCCO1

STK567031
Synonyms: 2- (2,3- dihydro- 1H- indol- 1- yl)- 6- methyl- 5- (3- methylbutyl)pyrimidin- 4- ol
Smiles: CC(CCc1c(C)nc(nc1O)N1CCc2c1cccc2)C

STK567037
Synonyms: 2- (2- fluorophenoxy)- N- [(2Z)- 5- (thiophen- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(/N=c\1/[nH]nc(s1)c1cccs1)COc1ccccc1F

STK567046
Synonyms: ethyl(2Z)- 1- (furan- 2- ylmethyl)- 10- methyl- 2- {[(2- nitrophenyl)carbonyl]imino}- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccccc1[N+](=O)[O-])Cc1ccco1)nc1n(c2=O)cccc1C

STK847245
Synonyms: N- (3- fluorophenyl)- 2- (3- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCCN(C1)c1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]

STK567053
Synonyms: 3- [(3E)- 3- [hydroxy(phenyl)methylidene]- 2- (4- methoxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]benzoicacid
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O

STK847247
Synonyms: (5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 3- (2- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccccc1N1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK847248
Synonyms: 3- (3- methoxyphenoxy)- 7- [(4- nitrobenzyl)oxy]- 4H- chromen- 4- one
Smiles: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)[N+](=O)[O-]

STK567072
Synonyms: (2Z)- 6- [2- (4- chlorophenyl)- 2- oxoethoxy]- 2- (2,3- dimethoxybenzylidene)- 1- benzofuran- 3(2H)- one
Smiles: COc1cccc(c1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)c1ccc(cc1)Cl

STK567080
Synonyms: (7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyltetrahydrofuran- 2- carboxylate
Smiles: O=C(C1CCCO1)OCc1cc2ccc(cc2[nH]c1=O)C

STK567084
Synonyms: 3- ({(1Z)- 1- [4- hydroxy- 1- (4- methoxyphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}amino)benzoicacid
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C(/Nc2cccc(c2)C(=O)O)\C)/C1=O)O

STK567111
Synonyms: N- cyclohexyl- 2- (3- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCCN(C1)c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK567121
Synonyms: methylN- {[(4- {[(4S)- 2,5- dioxo- 4- (propan- 2- yl)imidazolidin- 1- yl]methyl}phenyl)sulfonyl]carbamoyl}- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)NS(=O)(=O)c1ccc(cc1)CN1C(=O)N[C@H](C1=O)C(C)C

STK567125
Synonyms: N- (5- methyl- 7- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)butanamide
Smiles: CCCC(=O)Nc1nn2c(n1)NC(CC2c1ccccc1)C

STK567126
Synonyms: 2- methoxy- 3- [(E)- {2- [(2- methyl- 1H- imidazol- 3- ium- 1- yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: COc1c(/C=N/NC(=O)Cn2cc[nH+]c2C)cccc1[O-]

STK567127
Synonyms: ethyl(2Z)- 10- methyl- 2- {[(4- methyl- 3- nitrophenyl)carbonyl]imino}- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(C)C)nc1n(c2=O)cccc1C

STK567130
Synonyms: (2E)- 3- (morpholin- 4- yl)- 2- [(5E)- 5- (3- nitrobenzylidene)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- 3- oxopropanenitrile
Smiles: N#C/C(=c/1\s/c(=C/c2cccc(c2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/C(=O)N1CCOCC1

STK567132
Synonyms: 3- ({(1Z)- 1- [4- hydroxy- 1- (4- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}amino)benzoicacid
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(/Nc2cccc(c2)C(=O)O)\C)/C1=O)O

STK567140
Synonyms: 4- [(3- aminophenyl)amino]- 3- (benzylammonio)- 4- oxobutanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1cccc(c1)N)[NH2+]Cc1ccccc1

STK567149
Synonyms: (4- bromophenyl){4- [(diethylamino)methyl]- 5- hydroxy- 2- methyl- 1- benzofuran- 3- yl}methanone
Smiles: CCN(Cc1c(O)ccc2c1c(c(o2)C)C(=O)c1ccc(cc1)Br)CC

STK567150
Synonyms: N- (4- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]butanamide
Smiles: CCCC(=O)N(c1ccc(cc1)C)Cc1cc(=O)[nH]c2c1cccc2

STK567158
Synonyms: 4- (morpholin- 4- ium- 4- ylmethyl)- 2- oxo- 2H- chromen- 6- olate
Smiles: [O-]c1ccc2c(c1)c(C[NH+]1CCOCC1)cc(=O)o2

STK847253
Synonyms: (2E,5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 2- {[2- (trifluoromethyl)phenyl]imino}- 1,3- thiazolidin- 4- one
Smiles: COc1cc(ccc1O)/C=C/1\S/C(=N/c2ccccc2C(F)(F)F)/NC1=O

STK567161
Synonyms: methylN- [(2,4- dimethoxybenzyl)carbamoyl]- L- alaninate
Smiles: COC(=O)[C@@H](NC(=O)NCc1ccc(cc1OC)OC)C

STK567168
Synonyms: 4- ethyl2- methyl5- ({(Z)- 2- cyano- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)[N+](=O)[O-])/C#N)sc(c1C)C(=O)OC

STK567180
Synonyms: 2- methoxy- 3- [5- (4- nitrophenyl)- 1,2,4- oxadiazol- 3- yl]quinoline
Smiles: COc1nc2ccccc2cc1c1noc(n1)c1ccc(cc1)[N+](=O)[O-]

STK567186
Synonyms: 4- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1O)O

STK567191
Synonyms: 2- [(4- methylphenyl)amino]- 5,6,7,8- tetrahydroquinazolin- 4- ol
Smiles: Cc1ccc(cc1)Nc1nc(O)c2c(n1)CCCC2

STK567192
Synonyms: (5E)- 2- hydroxy- 6- oxo- 5- (1- {[2- (piperidinium- 1- yl)ethyl]amino}ethylidene)- 5,6- dihydropyrimidin- 4- olate
Smiles: OC1=NC(=O)/C(=C(/NCC[NH+]2CCCCC2)\C)/C(=N1)[O-]

STK567203
Synonyms: (5Z)- 3- tert- butyl- 5- {[(4- ethoxyphenyl)amino]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1ccc(cc1)N/C=C\1/C(=NC(=O)N(C1=O)C(C)(C)C)O

STK567207
Synonyms: 6'- amino- 2- oxo- 3'- (propan- 2- yl)- 1- (prop- 2- en- 1- yl)- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: C=CCN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c([nH]n1)C(C)C)C#N

STK567208
Synonyms: methylN- [(2,4- dimethoxybenzyl)carbamoyl]- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(cc1OC)OC

STK567218
Synonyms: (2E,5Z)- 2- [(3- bromophenyl)imino]- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 1,3- thiazolidin- 4- one
Smiles: Brc1cccc(c1)/N=C/1\NC(=O)/C(=C/C=C/c2ccco2)/S1

STK567220
Synonyms: 4- methoxy- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (propan- 2- yl)benzamide
Smiles: COc1ccc(cc1)C(=O)N(C(C)C)Cc1cc2ccccc2[nH]c1=O

STK847259
Synonyms: (5E)- 5- {[1- (4- hydroxyphenyl)- 1H- pyrrol- 2- yl]methylidene}- 2- sulfanyl- 1,3- thiazol- 4(5H)- one
Smiles: Oc1ccc(cc1)n1cccc1/C=C\1/SC(=NC1=O)S

STK847260
Synonyms: (2Z)- 2- [(3,4- dimethylphenyl)imino]- N~6~- (furan- 2- ylmethyl)- 5- nitro- 1,2- dihydropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)n/c(=N\c2ccc(c(c2)C)C)/[nH]c1NCc1ccco1

STK567244
Synonyms: 3- [3- (1H- imidazol- 1- yl)propyl]- 7- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Cc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCCn1cncc1

STK567250
Synonyms: 2- [4- (3,4- dichlorophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(c(c2)Cl)Cl)c2c([nH+]1)cccc2

STK567263
Synonyms: (5E)- 3- benzyl- 5- {1- [(3,3- diphenylpropyl)amino]ethylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: C/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/NCCC(c1ccccc1)c1ccccc1

STK567268
Synonyms: 2- methoxy- 3- (phenylamino)naphthalene- 1,4- dione
Smiles: COC1=C(Nc2ccccc2)C(=O)c2c(C1=O)cccc2

STK847262
Synonyms: 6'- amino- 5- chloro- 3'- methyl- 2- oxo- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(Cl)cc1)c(C)[nH]n2

STK567270
Synonyms: (5E)- 5- [(1- ethyl- 1H- indol- 3- yl)methylidene]- 6- hydroxy- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C\c2cn(c3c2cccc3)CC)/C1=O)O

STK567276
Synonyms: 2- ({5- [(1S)- 1- amino- 2- phenylethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STK567283
Synonyms: (5Z)- 5- ({1- [4- (dimethylamino)phenyl]- 1H- pyrrol- 2- yl}methylidene)- 1- (4- fluorophenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cccn2c2ccc(cc2)N(C)C)/C1=O)S

STK567285
Synonyms: 2- chloro- N- (2,4- dimethylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]acetamide
Smiles: ClCC(=O)N(c1ccc(cc1C)C)Cc1cc(=O)[nH]c2c1cccc2

STK567291
Synonyms: 4- {[(E)- (3- hydroxyphenyl)methylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1[nH]nc2c1CCC2

STK567301
Synonyms: 2- [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- phenylpropanoicacid
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1C(C(=O)O)Cc1ccccc1

STK567306
Synonyms: (5E)- 5- {[(2- aminophenyl)amino]methylidene}- 1- cyclopropyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/Nc1ccccc1N)C1CC1

STK567314
Synonyms: (2Z)- 2- (3,4- dimethoxybenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl3- nitrobenzoate
Smiles: COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK567316
Synonyms: 5- [(2- fluorobenzyl)oxy]- 2- [4- (2- methoxyphenoxy)- 1H- pyrazol- 5- yl]phenol
Smiles: COc1ccccc1Oc1cn[nH]c1c1ccc(cc1O)OCc1ccccc1F

STK567317
Synonyms: ethyl(2Z)- 1- butyl- 10- methyl- 2- {[(2- nitrophenyl)carbonyl]imino}- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK567320
Synonyms: 3- (4- chlorophenyl)- 4- oxo- 8- (pyrrolidinium- 1- ylmethyl)- 4H- chromen- 7- olate
Smiles: Clc1ccc(cc1)c1coc2c(c1=O)ccc(c2C[NH+]1CCCC1)[O-]

STK567321
Synonyms: (1S)- 1- [5- (benzylsulfanyl)- 1,3,4- oxadiazol- 2- yl]- 2- (1H- indol- 3- yl)ethanamine
Smiles: N[C@H](c1nnc(o1)SCc1ccccc1)Cc1c[nH]c2c1cccc2

STK567323
Synonyms: 2- methoxy- 4- [(Z)- (3- methyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]phenyl3- methyl- 1- benzofuran- 2- carboxylate
Smiles: COc1cc(ccc1OC(=O)c1oc2c(c1C)cccc2)/C=C/1\SC(=S)N(C1=O)C

STK847263
Synonyms: N- [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK567324
Synonyms: N- [(2Z)- 3- [(2,5- dimethylphenyl)amino]quinoxalin- 2(1H)- ylidene]thiophene- 2- sulfonamide
Smiles: Cc1ccc(c(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccs1)C

STK567328
Synonyms: N- [1- (3,4- dimethylphenyl)- 4- hydroxy- 2,6- dioxo- 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)n2c1ccc(c(c1)C)C)C(F)(F)F

STK567339
Synonyms: 2- [(2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)amino]butan- 1- ol
Smiles: CCC(Nc1nc(CC)nc2c1oc1c2cccc1)CO

STK567343
Synonyms: (5E)- 1- (4- chlorophenyl)- 5- (1- {[3- (diethylammonio)propyl]amino}ethylidene)- 2,6- dioxo- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CC[NH+](CCCN/C(=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)[O-])/C)CC

STK567346
Synonyms: ethyl(2Z)- 2- {[(2E)- 3- (4- chlorophenyl)prop- 2- enoyl]imino}- 10- methyl- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)/C=C/c1ccc(cc1)Cl)CCCOC(C)C)nc1n(c2=O)cccc1C

STK567350
Synonyms: N,N- diethyl- 4- [3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1[nH]nc2c1CCC2)CC

STK567352
Synonyms: N- {4- amino- 6- [(3- fluorophenyl)amino]- 5- nitropyrimidin- 2- yl}glycine
Smiles: OC(=O)CNc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]

STK847265
Synonyms: N~4~- (2,5- dimethoxyphenyl)- N~2~,N~2~- diethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCN(c1nc(Nc2cc(OC)ccc2OC)c(c(n1)N)[N+](=O)[O-])CC

STK847266
Synonyms: 7- methyl- 3- (5- propyl- 1,2,4- oxadiazol- 3- yl)quinolin- 2(1H)- one
Smiles: CCCc1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STK847268
Synonyms: 3- (3- methoxyphenoxy)- 4- oxo- 4H- chromen- 7- ylcyclohexanecarboxylate
Smiles: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2)OC(=O)C1CCCCC1

STK847269
Synonyms: 4- chloro- N- [(6E)- 1,8- dioxooctahydro- 6H- pyrazino[1,2- c]pyrimidin- 6- ylidene]benzamide
Smiles: O=C1N/C(=N\C(=O)c2ccc(cc2)Cl)/N2C(C1)C(=O)NCC2

STK847271
Synonyms: 3- (benzylammonio)- 4- [(3- methylphenyl)amino]- 4- oxobutanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1cccc(c1)C)[NH2+]Cc1ccccc1

STK567388
Synonyms: ethyl4- (6- hydroxy- 3- methyl- 2- oxo- 7- {2- [(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]ethyl}- 3,7- dihydro- 2H- purin- 8- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2c(n1CCSc1nnnn1c1ccccc1)c(O)nc(=O)n2C

STK567390
Synonyms: {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}acetate
Smiles: COc1ccc(cc1)n1c(SCC(=O)[O-])[nH+]nc1c1cccc(c1)C

STK567398
Synonyms: ethyl(2Z)- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 2- {[(3,4,5- triethoxyphenyl)carbonyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(/c/1=N\C(=O)c1cc(OCC)c(c(c1)OCC)OCC)CC(C)C)nc1n(c2=O)cccc1C

STK567401
Synonyms: 2- [4- (2,3- dichlorophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Clc1cccc(c1Cl)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK567404
Synonyms: ethyl5- methoxy- 1,2- dimethyl- 4- [(propylsulfonyl)amino]- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2c(NS(=O)(=O)CCC)c(OC)ccc2n(c1C)C

STK567410
Synonyms: 4- {[(E)- (3,4- dihydroxyphenyl)methylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(cc1O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STK567411
Synonyms: N- [(2Z)- 3- [(3- methoxyphenyl)amino]quinoxalin- 2(1H)- ylidene]- 3,4- dimethylbenzenesulfonamide
Smiles: COc1cccc(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(c(c1)C)C

STK567423
Synonyms: 1- (butan- 2- yl)- 4- (2- ethoxyphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: CCOc1ccccc1C1SCC(=Nc2c1c(O)nn2C(CC)C)O

STK567427
Synonyms: (5S)- 3- [2- (morpholin- 4- yl)ethyl]- 5- (propan- 2- yl)imidazolidine- 2,4- dione
Smiles: CC([C@@H]1NC(=O)N(C1=O)CCN1CCOCC1)C

STK567431
Synonyms: 2- (3,4- dichlorophenyl)- 7- phenyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(cc1Cl)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1

STK567437
Synonyms: 8- (4- butylphenyl)- 1,3- dimethyl- 7- (3- nitrophenyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: CCCCc1ccc(cc1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1cccc(c1)[N+](=O)[O-]

STK567439
Synonyms: 4- {[(E)- (2- chloro- 6- fluorophenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1/N=C/c1c(F)cccc1Cl)c1n[nH]c(c1)c1ccccc1

STK567445
Synonyms: 6- hydroxy- 3- methyl- 7- (propan- 2- yl)- 8- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1n(C(C)C)c(n2)N/N=C/c1cccnc1)C

STK567450
Synonyms: ethyl(2Z)- 1- butyl- 10- methyl- 2- {[(4- nitrophenyl)carbonyl]imino}- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCn1/c(=N\C(=O)c2ccc(cc2)[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK567458
Synonyms: N~4~- (4- fluorophenyl)- N~2~- (4- methylbenzyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1ccc(cc1)F)[N+](=O)[O-]

STK567462
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 5- (2- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)NC1c1ccccc1[N+](=O)[O-])/O

STK567466
Synonyms: ethyl[(5Z)- 5- (butanoylimino)- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl]acetate
Smiles: CCCC(=O)/N=c\1/[nH]nc(s1)CC(=O)OCC

STK567468
Synonyms: 2,4- dimethoxy- N- [(4E)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]aniline
Smiles: COc1ccc(c(c1)OC)/N=c\1/[nH]c(C)nc2c1oc1c2cccc1

STK847278
Synonyms: (2Z)- 6- hydroxy- 2- (4- nitrobenzylidene)- 1- benzofuran- 3(2H)- one
Smiles: Oc1ccc2c(c1)O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=O

STK567481
Synonyms: (5Z)- 5- [(1- butyl- 2,3- dihydro- 1H- indol- 5- yl)methylidene]- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: CCCCN1CCc2c1ccc(c2)/C=C\1/C(=NC(=NC1=O)O)O

STK567482
Synonyms: 2- methoxy- 3- [(2- methoxyphenyl)amino]naphthalene- 1,4- dione
Smiles: COc1ccccc1NC1=C(OC)C(=O)c2c(C1=O)cccc2

STK567500
Synonyms: (5E)- 6- hydroxy- 3- (3- methylphenyl)- 5- [4- (morpholin- 4- yl)benzylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C\c2ccc(cc2)N2CCOCC2)/C1=O)O

STK567501
Synonyms: 4- ethyl2- prop- 2- en- 1- yl5- ({(Z)- 2- cyano- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: C=CCOC(=O)c1sc(c(c1C)C(=O)OCC)N/C=C(\c1scc(n1)c1cccc(c1)[N+](=O)[O-])/C#N

STK567505
Synonyms: N- (3,4- dimethylphenyl)- 6- hydroxy- 2- [(4- methylphenyl)amino]- 4,5- dihydropyrimidine- 4- carboxamide
Smiles: Cc1ccc(cc1)NC1=NC(CC(=N1)O)C(=O)Nc1ccc(c(c1)C)C

STK567512
Synonyms: (2Z)- 6- (4- ethylpiperazin- 1- yl)- 2- [(2- fluorophenyl)imino]- 5- nitro- 1,2- dihydropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1[nH]/c(=N/c2ccccc2F)/nc(c1[N+](=O)[O-])N

STK847280
Synonyms: N- [(2E)- 6- (dimethylsulfamoyl)- 1,3- benzothiazol- 2(3H)- ylidene]pyridine- 4- carboxamide
Smiles: O=C(c1ccncc1)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N(C)C

STK567520
Synonyms: (2Z)- 3- {4- [(4- fluorobenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Fc1ccc(cc1)COc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STK567521
Synonyms: 3- ({(1E)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}amino)benzoicacid
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2cccc(c2)C(=O)O)/CC)/C1=O)O

STK567526
Synonyms: N,N- diethyl- N'- (2- methyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)ethane- 1,2- diamine
Smiles: CCN(CCNc1nc(C)nc2c1oc1c2cccc1)CC

STK847282
Synonyms: N- [(2Z)- 5- (3,4- dimethoxybenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: COc1cc(ccc1OC)Cc1n[nH]/c(=N/C(=O)c2ccccc2)/s1

STK847283
Synonyms: 5- methoxy- 2- [4- phenyl- 3- (trifluoromethyl)- 1H- pyrazol- 5- yl]phenol
Smiles: COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C(F)(F)F

STK567539
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]cyclopropanecarboxamide
Smiles: O=C(C1CC1)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1

STK567540
Synonyms: 8- amino- 6- hydroxy- 3- methyl- 7- (2- phenoxyethyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1n(CCOc1ccccc1)c(n2)N)C

STK567544
Synonyms: 5- bromo- 3- [(dimethylamino)methyl]- 1,2- dimethylindeno[2,1- b]pyrrol- 8(1H)- one
Smiles: CN(Cc1c(C)n(c2c1c1cc(Br)ccc1C2=O)C)C

STK567549
Synonyms: N- [1- benzyl- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]benzenesulfonamide
Smiles: O=S(=O)(c1ccccc1)Nc1n(Cc2ccccc2)c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

STK567570
Synonyms: methyl4- {[2- (2- hydroxy- 3- methoxyphenyl)quinazolin- 4- yl]oxy}benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK567575
Synonyms: methylN- [(3,4- dimethoxyphenyl)carbamoyl]- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(c(c1)OC)OC

STK567577
Synonyms: (2Z)- 3- (5- chloro- 2- methoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1ccc(cc1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C)Cl

STK567578
Synonyms: (5E)- 1- (2- methoxyphenyl)- 5- ({[2- (morpholin- 4- ium- 4- yl)phenyl]amino}methylidene)- 4,6- dioxo- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C\Nc2ccccc2[NH+]2CCOCC2)/C1=O)[S-]

STK567580
Synonyms: (1S)- 1- {5- [(3- fluorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- (1H- indol- 3- yl)ethanamine
Smiles: Fc1cccc(c1)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK567583
Synonyms: 3- (benzylammonio)- 4- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]- 4- oxobutanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1)[NH2+]Cc1ccccc1

STK567587
Synonyms: 8- methyl- 3- [5- (pyridin- 4- yl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: O=c1[nH]c2c(C)cccc2cc1c1noc(n1)c1ccncc1

STK567588
Synonyms: 2- (2- chlorobenzyl)- 4- cyano- 3- methylpyrido[1,2- a][3,1]benzimidazol- 5- ium- 1- olate
Smiles: N#Cc1c(C)c(Cc2ccccc2Cl)c(n2c1[nH+]c1c2cccc1)[O-]

STK567595
Synonyms: 2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CCc1nc(N)c2c(n1)c1ccccc1o2

STK567599
Synonyms: N- [(3Z)- 1- ethyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 3,5- dimethoxybenzamide
Smiles: COc1cc(OC)cc(c1)C(=O)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)CC

STK567612
Synonyms: N- cyclohexyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 2- carboxamide
Smiles: O=C(N(C1CCCCC1)Cc1cc2ccccc2[nH]c1=O)c1ccccn1

STK567614
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {3- [2- (3,4- dimethoxyphenyl)ethyl]- 1- [4- (dimethylamino)phenyl]- 5- oxo- 2- thioxoimidazolidin- 4- yl}acetamide
Smiles: COc1ccc(cc1OC)CCN1C(=S)N(C(=O)C1CC(=O)Nc1cccc(c1C)Cl)c1ccc(cc1)N(C)C

STK567619
Synonyms: 3- (4- methoxyphenoxy)- 2- methyl- 4- oxo- 8- (piperidinium- 1- ylmethyl)- 4H- chromen- 7- olate
Smiles: COc1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCCCC1)[O-]

STK567620
Synonyms: 4- ethoxy- N- [(3Z)- 8- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzamide
Smiles: CCCn1[nH]/c(=N\C(=O)c2ccc(cc2)OCC)/c2c1nc1c(C)cccc1c2

STK567628
Synonyms: 4- {[(1E)- 1- (6- hydroxy- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)ethylidene]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\C

STK567639
Synonyms: (4Z)- 6- (azepan- 1- ylmethyl)- 4- [(4- ethoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: CCOc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CCCCCC1

STK567643
Synonyms: 2- [4- (2- methoxyphenoxy)- 1H- pyrazol- 5- yl]- 5- [(4- methylbenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cn[nH]c1c1ccc(cc1O)OCc1ccc(cc1)C

STK567649
Synonyms: 4- {[(2Z)- 3- [2- chloro- 5- (trifluoromethyl)phenyl]- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1cc(ccc1Cl)C(F)(F)F)CS(=O)(=O)C2

STK847286
Synonyms: 4- methoxy- N- [(2Z)- 3- (phenylamino)quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccccc1

STK567655
Synonyms: (5E)- 1- benzyl- 5- {[(furan- 2- ylmethyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: SC1=NC(=O)/C(=C\NCc2ccco2)/C(=O)N1Cc1ccccc1

STK567657
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 5- [(2S)- pyrrolidin- 2- yl]- 1,3,4- oxadiazole
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc(o1)[C@@H]1CCCN1

STK847287
Synonyms: 3- (5- cyclohexyl- 1,2,4- oxadiazol- 3- yl)- 7- methylquinolin- 2(1H)- one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)c1noc(n1)C1CCCCC1

STK567660
Synonyms: 6- (4- fluorophenyl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Fc1ccc(cc1)C1=Nn2c(SC1)nnc2c1[nH]nc2c1CCC2

STK567662
Synonyms: N- (3- chlorobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- (3- methylphenoxy)acetamide
Smiles: Cc1cccc(c1)OCC(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Cl

STK567670
Synonyms: 1- ({5- [(4- chlorophenoxy)methyl]- 4- ethyl- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- 3,3- dimethylbutan- 2- one
Smiles: CCn1c(COc2ccc(cc2)Cl)nnc1SCC(=O)C(C)(C)C

STK567672
Synonyms: 3- (4- bromophenyl)- 7- [(4- nitrobenzyl)oxy]- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: Brc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCc1ccc(cc1)[N+](=O)[O-]

STK567680
Synonyms: (4E)- 1- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 5- (2- fluorophenyl)- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)c1c(=O)n(n(c1C)C)c1ccccc1)/c1ccccc1

STK567695
Synonyms: 3- [(3E)- 3- [hydroxy(4- methylphenyl)methylidene]- 2- (4- methylphenyl)- 4,5- dioxopyrrolidin- 1- yl]benzoicacid
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O

STK847290
Synonyms: 5- (4- fluorophenyl)- 4- (3- methoxyphenyl)- 3- (4- methylphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cccc(c1)C1c2c(C(=O)N1c1ccc(cc1)F)n[nH]c2c1ccc(cc1)C

STK567702
Synonyms: 4- [4- (3- chlorophenyl)piperazin- 1- yl]- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STK567708
Synonyms: (2Z)- 2- [(2,4- dimethylphenyl)imino]- 7- phenyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Cc1ccc(c(c1)C)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccccc1

STK847291
Synonyms: (5Z)- 2- (4- methylpiperidin- 1- yl)- 5- [(5- phenyl- 1H- pyrazol- 4- yl)methylidene]- 1,3- thiazol- 4(5H)- one
Smiles: CC1CCN(CC1)C1=NC(=O)/C(=C/c2cn[nH]c2c2ccccc2)/S1

STK847293
Synonyms: 5- [(2- methylprop- 2- en- 1- yl)oxy]- 2- (4- phenyl- 1H- pyrazol- 5- yl)phenol
Smiles: CC(=C)COc1ccc(c(c1)O)c1[nH]ncc1c1ccccc1

STK567728
Synonyms: 3- (5- {(E)- [2- (morpholin- 4- ium- 4- yl)- 4- oxo- 1,3- thiazol- 5(4H)- ylidene]methyl}furan- 2- yl)benzoate
Smiles: O=C1N=C(S/C/1=C/c1ccc(o1)c1cccc(c1)C(=O)[O-])[NH+]1CCOCC1

STK567732
Synonyms: ethyl(2Z)- 2- {[(4- nitrophenyl)carbonyl]imino}- 5- oxo- 1- pentyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCCn1/c(=N\C(=O)c2ccc(cc2)[N+](=O)[O-])/c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK567733
Synonyms: 4- ethyl2- (2- methoxyethyl)5- ({(Z)- 2- cyano- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: COCCOC(=O)c1sc(c(c1C)C(=O)OCC)N/C=C(\c1scc(n1)c1ccc(c(c1)OC)OC)/C#N

STK567734
Synonyms: N- {(2S)- 1- [(3,4- difluorophenyl)amino]- 3- methyl- 1- oxobutan- 2- yl}- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(c(c1)F)F)C(C)C

STK567743
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 2- ({[(1E)- 1- phenylethylidene]amino}oxy)acetamide
Smiles: O=C(/N=c\1/sc2c([nH]1)cccc2)CO/N=C(/c1ccccc1)\C

STK567744
Synonyms: 6- (4- benzylpiperidin- 1- yl)- 2- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK567745
Synonyms: N- [(3Z)- 1,8- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 2- methoxyacetamide
Smiles: COCC(=O)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C

STK567751
Synonyms: 6- (4- tert- butylphenyl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nn2c(s1)nnc2c1[nH]nc2c1CCC2)(C)C

STK567753
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 2- phenylacetamide
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1)Cc1ccccc1

STK847295
Synonyms: (3Z)- 3- [2- (4- nitrophenyl)- 2- oxoethylidene]piperazin- 2- one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/1\NCCNC1=O

STK567773
Synonyms: N- {4- amino- 6- [(2- methoxyphenyl)amino]- 5- nitropyrimidin- 2- yl}glycine
Smiles: COc1ccccc1Nc1nc(NCC(=O)O)nc(c1[N+](=O)[O-])N

STK567777
Synonyms: [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK567778
Synonyms: 2- methoxy- N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)acetamide
Smiles: COCC(=O)Nc1nn2c(=NC(=O)CC2c2ccccc2)[nH]1

STK567782
Synonyms: 2- methyl- N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)propanamide
Smiles: CC(C(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccccc1)C

STK567784
Synonyms: N- ethyl- 2- methyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: CCN(C(=O)c1ccccc1C)Cc1cc2ccc(cc2[nH]c1=O)C

STK567786
Synonyms: N'- [(1E)- 1- (2- hydroxyphenyl)ethylidene]- 2- {[3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C(/c2ccccc2O)\C)nc2c(c1=O)cccc2

STK567793
Synonyms: 4- {[(E)- (3,4- dihydroxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(cc1O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1

STK567799
Synonyms: (2Z)- 2- [(5- methylfuran- 2- yl)methylidene]- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl4- nitrobenzoate
Smiles: Cc1ccc(o1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK567803
Synonyms: 2- chloro- N- (4- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Fc1ccc(cc1)Nc1nc(Cl)nc(c1[N+](=O)[O-])N

STK567812
Synonyms: 1,1- dibutyl- 3- [(2E)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]guanidine
Smiles: CCCCN(C(=N)/N=c\1/nc(C)cc([nH]1)C)CCCC

STK567813
Synonyms: 2- [4- (4- bromophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Brc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STK567815
Synonyms: N- (3- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]pyridine- 4- carboxamide
Smiles: Cc1cccc(c1)N(C(=O)c1ccncc1)Cc1cc(=O)[nH]c2c1cccc2

STK567816
Synonyms: 4- {[(E)- (2- methoxyphenyl)methylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccccc1/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STK567821
Synonyms: N- tert- butyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 2- carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(C)(C)C)C(=O)c1ccccn1

STK567822
Synonyms: (4E)- 1- benzyl- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- phenylpyrrolidine- 2,3- dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccccc1)Cc1ccccc1)/c1ccc2c(c1)OCCO2

STK847297
Synonyms: methylN- {[2- (4- chlorophenyl)ethyl]carbamoyl}- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(cc1)Cl

STK847298
Synonyms: 5- ethoxy- 2- [4- (2- methoxyphenyl)- 3- methyl- 1H- pyrazol- 5- yl]phenol
Smiles: CCOc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1OC)C

STK567831
Synonyms: 1- (quinolin- 4- ylmethyl)guanidine
Smiles: NC(=N)NCc1ccnc2c1cccc2

STK567834
Synonyms: 1- [4- (4- fluorophenyl)piperazin- 1- yl]- 2- [(4- hydroxy- 6- propylpyrimidin- 2- yl)sulfanyl]ethanone
Smiles: CCCc1nc(SCC(=O)N2CCN(CC2)c2ccc(cc2)F)nc(c1)O

STK847304
Synonyms: 4- methoxy- N- [(2Z)- 3- [(tetrahydrofuran- 2- ylmethyl)amino]quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NCC1CCCO1

STK567842
Synonyms: 4- fluoro- N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)benzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)Nc1nn2c(=NC(=O)CC2c2ccccc2)[nH]1

STK567847
Synonyms: 6- (2- chlorophenyl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccccc1C1=Nn2c(SC1)nnc2c1[nH]nc2c1CCC2

STK567848
Synonyms: 1- [1- (4- methoxybenzyl)piperidin- 4- yl]- 4- methylpiperazine
Smiles: COc1ccc(cc1)CN1CCC(CC1)N1CCN(CC1)C

STK567850
Synonyms: N- [(3Z)- 1- ethyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: CCn1[nH]/c(=N\C(=O)C2CCCO2)/c2c1nc1c(C)cccc1c2

STK567854
Synonyms: (2Z)- 7- (2,4- dimethoxyphenyl)- 2- [(4- methylphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1cc(OC)ccc1C1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1)C)/nc2

STK567855
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (diethylamino)phenyl]methylidene}- 5- (4- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)CC