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

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STK558077
Synonyms: N- [5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]ethane- 1,2- diamine
Smiles: NCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK558078
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(E)- (1- ethyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)Cn1nc(cc1C)C)C

STK558084
Synonyms: N'- {(E)- [5- (2- methyl- 3- nitrophenyl)furan- 2- yl]methylidene}- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccc(o1)c1cccc(c1C)[N+](=O)[O-]

STK845581
Synonyms: 6- (phenoxymethyl)- 3- (pyridin- 4- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: c1ccc(cc1)OCc1sc2n(n1)c(nn2)c1ccncc1

STK558088
Synonyms: N- [1- benzyl- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]acetamide
Smiles: CC(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1)C(F)(F)F

STK845583
Synonyms: N~4~- (3,4- dimethylphenyl)- N~2~,N~2~- diethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCN(c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-])CC

STK558092
Synonyms: N- [(2Z)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methylbenzamide
Smiles: CCCCn1/c(=N\C(=O)c2ccc(cc2)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845584
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- {[3- (trifluoromethyl)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1nc2c(s1)cccc2

STK558098
Synonyms: 2- chloro- N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1Cl)CC(C)C)nc1n(c2=O)cccc1C

STK558116
Synonyms: 2- {4- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (phenoxymethyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 2- ethoxyphenoxy}acetamide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)ccc1OCC(=O)N

STK558134
Synonyms: N- benzyl- N'- [(1- phenylcyclopentyl)methyl]ethanediamide
Smiles: O=C(C(=O)NCc1ccccc1)NCC1(CCCC1)c1ccccc1

STK845588
Synonyms: 1- [cyclohexyl(6- ethoxynaphthalen- 2- yl)methyl]urea
Smiles: CCOc1ccc2c(c1)ccc(c2)C(C1CCCCC1)NC(=O)N

STK845590
Synonyms: 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 2- (phenoxymethyl)- 1,3- oxazole- 4- carbonitrile
Smiles: COc1ccc(cc1)N1CCN(CC1)c1oc(nc1C#N)COc1ccccc1

STK845591
Synonyms: 6- (4- ethoxyphenyl)- 3- (2- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1OC

STK558143
Synonyms: 1- (2- methoxyphenyl)- 4- (1- methyl- 1H- benzimidazol- 2- yl)pyrrolidin- 2- one
Smiles: COc1ccccc1N1CC(CC1=O)c1nc2c(n1C)cccc2

STK558145
Synonyms: 2- (4- benzylpiperidin- 1- yl)- 5- nitro- N- phenylpyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)N1CCC(CC1)Cc1ccccc1

STK845593
Synonyms: N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]pyridine- 4- carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccncc1)Cc1ccco1)nc1n(c2=O)cccc1C

STK558147
Synonyms: 8- (butylsulfanyl)- 7- (4- chlorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK558161
Synonyms: methyl5- bromo- 3- {[(4- methyl- 1,2,5- oxadiazol- 3- yl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)cc(cc2)Br

STK845595
Synonyms: 2- [(4- bromophenoxy)methyl]- 5- [(4- methoxybenzyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NCc1ccc(cc1)OC)COc1ccc(cc1)Br

STK845596
Synonyms: 2- [4- (4- chlorophenyl)- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl]- 1- (pyrrolidin- 1- yl)ethanone
Smiles: Clc1ccc(cc1)C1(CCOC(C1)(C)C)CC(=O)N1CCCC1

STK558165
Synonyms: 6- (4- methylphenyl)- 3- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nn2c(s1)nnc2COc1ccccc1

STK558168
Synonyms: (4Z)- 4- (4- bromophenyl)- 2- (diphenylphosphoryl)- 4- (hydroxyimino)butanoicacid
Smiles: O/N=C(\c1ccc(cc1)Br)/CC(P(=O)(c1ccccc1)c1ccccc1)C(=O)O

STK845600
Synonyms: ethyl6- bromo- 5- {[(2- fluorophenyl)carbonyl]oxy}- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccccc1F)c(c2)Br

STK558177
Synonyms: N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)NCCCN1CCOCC1

STK845601
Synonyms: 2- {[4- oxo- 3- phenyl- 2- (trifluoromethyl)- 4H- chromen- 7- yl]oxy}acetamide
Smiles: NC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F

STK558184
Synonyms: 6- (diethylamino)- 3- methyl- 2H- 1,4- benzoxazin- 2- one
Smiles: CCN(c1ccc2c(c1)nc(c(=O)o2)C)CC

STK845602
Synonyms: 1,3- dimethyl- 8- (4- methylpiperidin- 1- yl)- 7- (2- methylprop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=C)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)C

STK558190
Synonyms: N- (6- methyl- 1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)acetamide
Smiles: CCCn1nc(c2c1nc1ccc(cc1c2)C)NC(=O)C

STK558192
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccccc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK558193
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (1- ethyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br)C

STK558194
Synonyms: 2- (2- {[4- amino- 6- (cyclohexylamino)- 5- nitropyrimidin- 2- yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)NC1CCCCC1)[N+](=O)[O-]

STK558195
Synonyms: 2- ({3- [2- (dimethylamino)- 2- oxoethoxy]- 4- oxo- 3,4- dihydroquinazolin- 2- yl}sulfanyl)- N,N- dimethylacetamide
Smiles: CN(C(=O)CSc1nc2ccccc2c(=O)n1OCC(=O)N(C)C)C

STK558196
Synonyms: 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 6- ethyl- 7- [(4- fluorobenzyl)oxy]- 2- methyl- 4H- chromen- 4- one
Smiles: CCc1cc2c(cc1OCc1ccc(cc1)F)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C

STK558201
Synonyms: ethyl1- butyl- 2- imino- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK558210
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)F)C(C)C)nc1n(c2=O)cccc1C

STK558212
Synonyms: N~2~- methyl- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: CNc1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK558216
Synonyms: N- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- alanine
Smiles: C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK845603
Synonyms: 6- (3,4- dimethoxyphenyl)- 3- (2- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cc(ccc1OC)c1nn2c(s1)nnc2c1ccccc1OC

STK845604
Synonyms: N- benzyl- 2- (3- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCCN(C1)c1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK558230
Synonyms: 5- (benzyloxy)- 2- [4- (2- methoxyphenyl)- 5- methyl- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccccc1c1c(C)[nH]nc1c1ccc(cc1O)OCc1ccccc1

STK558232
Synonyms: 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- (4- methylpiperazin- 1- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)C)c([nH]2)C

STK558233
Synonyms: 2- [(4- chlorophenoxy)methyl]- 5- [(1- phenylethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccc(cc1)Cl

STK558235
Synonyms: 2- imino- N- (4- methoxybenzyl)- 1- [2- (morpholin- 4- yl)ethyl]- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1cc2c(n(c1=N)CCN1CCOCC1)nc1n(c2=O)cccc1

STK558240
Synonyms: [4- (benzyloxy)phenyl](phenylamino)acetonitrile
Smiles: N#CC(c1ccc(cc1)OCc1ccccc1)Nc1ccccc1

STK558242
Synonyms: (6Z)- 6- [4- (benzyloxy)- 3- methoxybenzylidene]- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK558244
Synonyms: 2- amino- 3- (1,3- benzothiazol- 2- yl)- 4- [4- (propan- 2- yl)phenyl]- 4H,5H- pyrano[3,2- c]chromen- 5- one
Smiles: NC1=C(c2nc3c(s2)cccc3)C(c2c(O1)c1ccccc1oc2=O)c1ccc(cc1)C(C)C

STK558245
Synonyms: N~4~- benzyl- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)NCCN1CCOCC1

STK558251
Synonyms: (3aR,7aS)- 5- chloro- 2- [2- (piperidin- 1- yl)ethyl]- 2,3,3a,4,7,7a- hexahydro- 1H- isoindole
Smiles: ClC1=CC[C@H]2[C@@H](C1)CN(C2)CCN1CCCCC1

STK558255
Synonyms: 6- (4- ethylpiperazin- 1- yl)- N~2~- methyl- 5- nitro- N~2~- phenylpyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C

STK558259
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- [2- oxo- 1- (prop- 2- en- 1- yl)- 1,2- dihydro- 3H- indol- 3- ylidene]- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: C=CCN1C(=O)/C(=c/2\sc3n(c2=O)nc(c(=O)n3)Cc2ccccc2Cl)/c2c1cccc2

STK558267
Synonyms: 4- [3- (4- tert- butylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccc(cc1)C(C)(C)C

STK845606
Synonyms: 4- (3- acetylphenoxy)benzene- 1,2- dicarbonitrile
Smiles: N#Cc1cc(ccc1C#N)Oc1cccc(c1)C(=O)C

STK558270
Synonyms: ethyl7- [(2- chloro- 4- fluorobenzyl)oxy]- 3- (3,4- dimethoxyphenyl)- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccc(cc3Cl)F)ccc2c(=O)c1c1ccc(c(c1)OC)OC

STK558271
Synonyms: 7- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 4- (2- methylpropyl)- 9- (methylsulfanyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CSc1nc(SCC(=C)C)c2c(n1)c1c(s2)nc(c2c1CCC2)CC(C)C

STK558272
Synonyms: 6- (4- benzylpiperidin- 1- yl)- N~2~,N~2~- diethyl- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN(c1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-])CC

STK558274
Synonyms: 7- [(2- chloro- 6- fluorobenzyl)oxy]- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 6- propyl- 4H- chromen- 4- one
Smiles: CCCc1cc2c(cc1OCc1c(F)cccc1Cl)occ(c2=O)c1ccc2c(c1)OCCO2

STK558281
Synonyms: 2- (4- methoxyphenyl)- 5- oxo- 1- phenylpyrrolidine- 2- carbonitrile
Smiles: COc1ccc(cc1)C1(CCC(=O)N1c1ccccc1)C#N

STK558292
Synonyms: 5- amino- 7- (2- chlorophenyl)- 3- oxo- 2,3- dihydro- 7H- [1,3]thiazolo[3,2- a]pyridine- 6,8- dicarbonitrile
Smiles: N#CC1=C(N)N2C(=O)CSC2=C(C1c1ccccc1Cl)C#N

STK558294
Synonyms: 2- {[5- (benzylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1

STK845609
Synonyms: 3- chloro- N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)Cl)Cc1ccco1)nc1n(c2=O)cccc1C

STK558295
Synonyms: N'- [(E)- {4- [(2- chlorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1ccccc1Cl

STK558300
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl(2E)- 3- phenylprop- 2- enoate
Smiles: O=C(Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)cccc2)C)/C=C/c1ccccc1

STK558302
Synonyms: 2- (4- ethylpiperazin- 1- yl)- 5- nitro- N- phenylpyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK558308
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- ethyl- 8,8- dimethyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCn1c(SCc2ccccc2Cl)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK845612
Synonyms: 2- [2- ({4- amino- 6- [(3- fluorophenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)Nc1cccc(c1)F)[N+](=O)[O-]

STK558312
Synonyms: 5- (2- chlorophenyl)- 2- phenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccccc1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1

STK558316
Synonyms: (2E)- 3- (3,4- diethoxyphenyl)- 2- {[(4- methylphenyl)carbonyl]amino}prop- 2- enoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)O)/NC(=O)c1ccc(cc1)C

STK558319
Synonyms: 6- (4- benzylpiperidin- 1- yl)- N~2~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)NCc1ccco1

STK845614
Synonyms: N~2~- (4- chlorobenzyl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: Clc1ccc(cc1)CNc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]

STK845615
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 6- ethyl- 4- oxo- 4H- chromen- 7- yl3,4- dimethoxybenzoate
Smiles: CCc1cc2c(cc1OC(=O)c1ccc(c(c1)OC)OC)occ(c2=O)c1nc2c(s1)cccc2

STK845616
Synonyms: 3- (3- chlorophenyl)- 6- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)COc1ccccc1

STK558330
Synonyms: 2,4- dichloro- N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1Cl)Cl)C(C)C)nc1n(c2=O)cccc1C

STK558331
Synonyms: 2- (4- methylpiperidin- 1- yl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: CC1CCN(CC1)c1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK558338
Synonyms: 6- (4- benzylpiperidin- 1- yl)- N~2~- (4- chlorophenyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: Clc1ccc(cc1)Nc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK558339
Synonyms: (3aR,6aS)- 3- (2,4- dichlorophenyl)- 5- phenyl- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1

STK845619
Synonyms: 3- (2- methoxyphenyl)- 6- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)COc1ccccc1

STK845620
Synonyms: N- (5- bromopyridin- 2- yl)- 4,7,7- trimethyl- 2,3- dioxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: Brc1ccc(nc1)NC(=O)C12CCC(C2(C)C)(C(=O)C1=O)C

STK558349
Synonyms: 2- ({6- amino- 2- [(3- methylphenyl)amino]- 5- nitropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2cccc(c2)C)nc(c1[N+](=O)[O-])N

STK558352
Synonyms: 4- [3- (trifluoromethyl)- 4,5,6,7- tetrahydro- 1H- indazol- 1- yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1nc(c2c1CCCC2)C(F)(F)F

STK845623
Synonyms: 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 2- [(4- methylphenoxy)methyl]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccc(cc1)C

STK845624
Synonyms: N- (2,5- dimethoxyphenyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C)OC

STK558360
Synonyms: (1R,3R)- 3- (2,2- dimethylpropanoyl)- 1,2,3,10b- tetrahydropyrrolo[2,1- a]phthalazine- 1- carbonitrile
Smiles: N#C[C@@H]1C[C@@H](N2C1c1ccccc1C=N2)C(=O)C(C)(C)C

STK558365
Synonyms: methyl6- methoxy- 3- {[(2- methylpiperidin- 1- yl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCCC1C)ccc(c2)OC

STK558366
Synonyms: 3- (4- ethoxyphenyl)- 6- methyl[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)C

STK558367
Synonyms: N~1~- [(E)- pyridin- 2- ylmethylidene]- 1H- tetrazole- 1,5- diamine
Smiles: Nc1nnnn1/N=C/c1ccccn1

STK558377
Synonyms: N~4~- cyclohexyl- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NC1CCCCC1)NCCCN1CCOCC1

STK558379
Synonyms: 2- ({[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: CCOc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1cccnc1

STK558382
Synonyms: 2- (5- methyl- 1H- pyrazol- 1- yl)- N'- [(E)- pyridin- 3- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1cccnc1

STK845626
Synonyms: 4,8,10- trimethyl- 3,4- dihydro- 1H- pyrido[3',2':4,5]thieno[3,2- e][1,4]diazepine- 2,5- dione
Smiles: O=C1CN(C)C(=O)c2c(N1)c1c(C)cc(nc1s2)C

STK558385
Synonyms: (5Z)- 2- [(4- bromophenyl)amino]- 5- (2,3- dimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cccc(c1OC)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Br

STK558388
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 3- (4- hydroxyphenyl)- 1,3- thiazolidine- 2,4- dione
Smiles: COc1cccc(c1OC)/C=C/1\SC(=O)N(C1=O)c1ccc(cc1)O

STK558389
Synonyms: 3- (2- nitrobutyl)- 1H- indole
Smiles: CCC([N+](=O)[O-])Cc1c[nH]c2c1cccc2

STK558391
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(nc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK845627
Synonyms: ethyl2- tert- butyl- 5- {[(3,4,5- trimethoxyphenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1cc(OC)c(c(c1)OC)OC

STK558398
Synonyms: N~4~- (3- fluorophenyl)- N~2~- (4- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1cccc(c1)F)[N+](=O)[O-]

STK558402
Synonyms: (4aR,4bS,7aR,8S)- 6- cyclohexyl- 8- (2,2- dimethylpropanoyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(C2CCCCC2)C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2C=CC=N1)C(=O)C(C)(C)C

STK558405
Synonyms: 3- (2,4- dimethylphenyl)- 2- pentylquinazolin- 4(3H)- one
Smiles: CCCCCc1nc2ccccc2c(=O)n1c1ccc(cc1C)C

STK558408
Synonyms: (3aR,6aS)- 5- benzyl- 3- (2,4- dichlorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1

STK558415
Synonyms: N'- [(E)- (5- methylfuran- 2- yl)methylidene]- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: Cc1ccc(o1)/C=N/NC(=O)Cn1nccc1C

STK558417
Synonyms: 2- (2,6- dimethylpiperidin- 1- yl)- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1C(C)CCCC1C)c([nH]2)C

STK845633
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (2,4- dimethoxyphenyl)prop- 2- enenitrile
Smiles: COc1ccc(c(c1)OC)/C=C(/c1nc2c(o1)cccc2)\C#N

STK558424
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- methylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1C)C(C)C)nc1n(c2=O)cccc1C

STK558425
Synonyms: N~4~- (4- fluorophenyl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: Fc1ccc(cc1)Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK558431
Synonyms: N~2~- (3,4- dimethylphenyl)- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)Nc1ccc(c(c1)C)C

STK558432
Synonyms: 5- ethyl- 2- hydrazinyl- 5- methyl- 3- (2- phenylethyl)- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: NNc1nc2c3ccccc3CC(c2c(=O)n1CCc1ccccc1)(C)CC

STK845634
Synonyms: methyl2- {[(E)- 2- (1,3- benzothiazol- 2- yl)- 2- cyanoethenyl]amino}benzoate
Smiles: N#C/C(=C\Nc1ccccc1C(=O)OC)/c1nc2c(s1)cccc2

STK845635
Synonyms: 2- [4- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 5- methyl- 1H- pyrazol- 3- yl]- 4- ethyl- 5- [(4- fluorobenzyl)oxy]phenol
Smiles: CCc1cc(c(cc1OCc1ccc(cc1)F)O)c1n[nH]c(c1c1ccc2c(c1)OCCCO2)C

STK558443
Synonyms: 2- [2- ({4- amino- 6- [(4- ethoxyphenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]

STK558454
Synonyms: N- (4- chlorophenyl)- 2- [(3- ethyl- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK558459
Synonyms: 5- (2- amino- 4- methyl- 1,3- thiazol- 5- yl)- 4- methyl- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Nc1nc(c(s1)c1n[nH]c(=S)n1C)C

STK845637
Synonyms: 3- (4- tert- butylphenyl)- 6- (2- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C

STK558463
Synonyms: 4- (2- ethylpiperidin- 1- yl)- 2- (pyridin- 4- yl)quinazoline
Smiles: CCC1CCCCN1c1nc(nc2c1cccc2)c1ccncc1

STK558464
Synonyms: (2E)- N- ({4- [(6- methoxypyridazin- 3- yl)sulfamoyl]phenyl}carbamothioyl)- 3- phenylprop- 2- enamide
Smiles: COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccccc1

STK558465
Synonyms: N- (2,4- dimethoxyphenyl)- 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1CC

STK558467
Synonyms: ethyl4- {[7- (naphthalen- 1- ylmethoxy)- 4- oxo- 4H- chromen- 3- yl]oxy}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1cccc2c1cccc2

STK558468
Synonyms: N~4~- (2- methoxyphenyl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK845638
Synonyms: N~4~- (3- chlorophenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK558477
Synonyms: N~4~- cyclohexyl- N~2~- (3,4- dimethylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)Nc1ccc(c(c1)C)C

STK558478
Synonyms: (5E)- 6- (4- methylphenyl)- 5- (2- phenylhydrazinylidene)- 2,5- dihydropyridazine- 3,4- dione
Smiles: Cc1ccc(cc1)C1=NNC(=O)C(=O)/C/1=N/Nc1ccccc1

STK845642
Synonyms: 2- [(4- methoxyphenoxy)methyl]- 5- [(1- phenylethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccc(cc1)OC

STK558486
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 1- benzyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: c1ccc(cc1)CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCO2

STK845643
Synonyms: methyl5- (4- nitrophenyl)- 1H- pyrazole- 3- carboxylate
Smiles: COC(=O)c1n[nH]c(c1)c1ccc(cc1)[N+](=O)[O-]

STK558490
Synonyms: 2- ({6- amino- 2- [(4- ethoxyphenyl)amino]- 5- nitropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(cc2)OCC)nc(c1[N+](=O)[O-])N

STK558491
Synonyms: 2- [4- (dimethylamino)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N(C)C

STK845644
Synonyms: 2- [(2- fluorophenoxy)methyl]- 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccccc1F

STK845645
Synonyms: 7- [(2- chloro- 6- fluorobenzyl)oxy]- 3- (2- methoxyphenoxy)- 4H- chromen- 4- one
Smiles: COc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1c(F)cccc1Cl

STK845646
Synonyms: ethyl4- ({7- [(dimethylcarbamoyl)oxy]- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 3- yl}oxy)benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N(C)C

STK845647
Synonyms: ethyl4- [({[5- (2- amino- 4- methyl- 1,3- thiazol- 5- yl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1c1sc(nc1C)N

STK558496
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)[N+](=O)[O-])C(C)C)nc1n(c2=O)cccc1C

STK558497
Synonyms: N- [(2,5- dichlorophenyl)carbamoyl]- L- phenylalanine
Smiles: O=C(Nc1cc(Cl)ccc1Cl)N[C@H](C(=O)O)Cc1ccccc1

STK845648
Synonyms: 2- [5- (6- bromo- 4H- 1,3- benzodioxin- 8- yl)- 1H- pyrazol- 3- yl]- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)c1n[nH]c(c1)c1cc(Br)cc2c1OCOC2

STK558504
Synonyms: 7- methoxy- 4- [4- (2- methoxyphenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)c1ccccc1OC

STK558506
Synonyms: 7- cyclohexyl- 1,3- dimethyl- 5,5- bis(trifluoromethyl)- 5,8- dihydropyrimido[4,5- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: O=c1n(C)c2NC(=NC(c2c(=O)n1C)(C(F)(F)F)C(F)(F)F)C1CCCCC1

STK558507
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- 6- (morpholin- 4- yl)- 5- nitropyrimidin- 4- amine
Smiles: CC1CC(C)CN(C1)c1nc(N)c(c(n1)N1CCOCC1)[N+](=O)[O-]

STK845650
Synonyms: 3- (2- methoxyphenyl)- 6- (thiophen- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1cccs1

STK845651
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- N- [2- (morpholin- 4- yl)ethyl]- 1,4- dihydro- 2H- thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CC1(C)SCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCCN1CCOCC1

STK558513
Synonyms: N- (4- acetylphenyl)- 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)C)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK845652
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- methyl- 3- nitrobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2cccc(c2C)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845653
Synonyms: 3- (4- tert- butylphenyl)- 6- (3,4- dimethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cc(ccc1OC)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C

STK558517
Synonyms: 2- ({6- amino- 2- [(3- fluorophenyl)amino]- 5- nitropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2cccc(c2)F)nc(c1[N+](=O)[O-])N

STK845654
Synonyms: 3- (3- chlorophenyl)- 6- (3,4- dimethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cc(ccc1OC)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK558521
Synonyms: 3- phenyl- 1,2,5- oxadiazole2- oxide
Smiles: [O-][n+]1oncc1c1ccccc1

STK558524
Synonyms: 4- [(4- nitrophenyl)sulfanyl]buta- 2,3- dien- 1- ol
Smiles: OCC=C=CSc1ccc(cc1)[N+](=O)[O-]

STK845655
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl3- cyclopentylpropanoate
Smiles: O=C(Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2)CCC1CCCC1

STK558528
Synonyms: N~4~- (4- ethoxyphenyl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK558529
Synonyms: N~4~- (3,4- dimethylphenyl)- N~2~- (4- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK558531
Synonyms: 3- [(3- chlorobenzyl)oxy]- 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)quinazolin- 4(3H)- one
Smiles: Clc1cccc(c1)COn1c(=O)c2ccccc2nc1n1nc(cc1C)C

STK558534
Synonyms: N~4~- (2- methoxyphenyl)- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK558535
Synonyms: 3- (2,4- dimethylphenyl)- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccnc2)nc2c(c1=O)cccc2

STK558536
Synonyms: 2- amino- 1- cyclohexyl- N- [2- (4- methoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccc(cc1)CCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)C1CCCCC1

STK558537
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3,4,5- triethoxybenzamide
Smiles: CCCCn1/c(=N/C(=O)c2cc(OCC)c(c(c2)OCC)OCC)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK558539
Synonyms: N- (1- acetyl- 1H- indol- 3- yl)- 2- chloro- N- (4- methylphenyl)acetamide
Smiles: ClCC(=O)N(c1cn(c2c1cccc2)C(=O)C)c1ccc(cc1)C

STK558542
Synonyms: 6- (4- benzylpiperidin- 1- yl)- 5- nitro- N~2~- (prop- 2- en- 1- yl)pyrimidine- 2,4- diamine
Smiles: C=CCNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK845659
Synonyms: 3- (2- methoxyphenyl)- 6- (3- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1nn2c(s1)nnc2c1ccccc1OC

STK558560
Synonyms: 3- (4- tert- butylphenyl)- 6- (pyridin- 3- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nnc2n1nc(s2)c1cccnc1)(C)C

STK558562
Synonyms: N~2~- (butan- 2- yl)- N~4~- (3- chlorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-])C

STK845663
Synonyms: 2- methoxyethyl5- [(ethoxycarbonyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)OCC

STK558563
Synonyms: (2Z)- 3- amino- 2- {(E)- [1- (2,6- dichlorophenyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]methyl}- 3- [(2- hydroxyethyl)amino]prop- 2- enenitrile
Smiles: OCCN/C(=C(/C=C/1\c2ccccc2N(C1=O)c1c(Cl)cccc1Cl)\C#N)/N

STK558568
Synonyms: 5- [(2- chloro- 6- fluorobenzyl)oxy]- 2- [4- (2- methoxyphenyl)- 5- methyl- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccccc1c1c(C)[nH]nc1c1ccc(cc1O)OCc1c(F)cccc1Cl

STK558569
Synonyms: 6- (biphenyl- 4- yl)- 3- (2- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1ccccc1c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK558571
Synonyms: 2,6- bis(4- methylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CN1CCN(CC1)c1nc(N)c(c(n1)N1CCN(CC1)C)[N+](=O)[O-]

STK558574
Synonyms: 7- methoxy- 4- {4- [3- (trifluoromethyl)benzyl]piperazin- 1- yl}- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)Cc1cccc(c1)C(F)(F)F

STK845664
Synonyms: methyl{7- [(4- fluorobenzyl)oxy]- 4- methyl- 2- oxo- 2H- chromen- 3- yl}acetate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OCc1ccc(cc1)F

STK558586
Synonyms: 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- phenylacetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK558587
Synonyms: 2- [4- (4- methoxyphenoxy)quinazolin- 2- yl]phenol
Smiles: COc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccc1O

STK845665
Synonyms: N~2~- (4- methylbenzyl)- 6- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CC1CCN(CC1)c1nc(NCc2ccc(cc2)C)nc(c1[N+](=O)[O-])N

STK558589
Synonyms: 6- (2- methylphenyl)- 3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1C

STK558591
Synonyms: 3- (3- methoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1cccc(c1)OC)C(F)(F)F

STK558593
Synonyms: methyl5- bromo- 1- [4- (dimethylamino)phenyl]- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cc(Br)c(=O)n(c1)c1ccc(cc1)N(C)C

STK845667
Synonyms: ethyl2- {[(E)- 2- (1,3- benzothiazol- 2- yl)- 2- cyanoethenyl]amino}benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(/c1nc2c(s1)cccc2)\C#N

STK845668
Synonyms: N~2~- benzyl- N~4~- (4- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1ccc(cc1)Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N

STK558596
Synonyms: 6- (4- benzylpiperidin- 1- yl)- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)N1CCCC1

STK558598
Synonyms: N~4~- benzyl- N~2~- (4- methylbenzyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)CNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK558600
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3,4,5- trimethoxybenzamide
Smiles: COCCCn1/c(=N/C(=O)c2cc(OC)c(c(c2)OC)OC)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK558625
Synonyms: methyl4- ({7- [(2- chlorobenzyl)oxy]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1Cl

STK845675
Synonyms: 6- (2- methylphenyl)- 3- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccccc1c1nn2c(s1)nnc2COc1ccccc1

STK845676
Synonyms: 1,3- dimethyl- 8- [(2- phenylethyl)amino]- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(NCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK558628
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- N- (2- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C

STK845678
Synonyms: N- [(7,7- dimethyl- 1,5,7,8- tetrahydropyrano[4,3- b]pyrazolo[4,3- e]pyridin- 3- yl)carbamothioyl]benzamide
Smiles: S=C(Nc1n[nH]c2c1cc1COC(Cc1n2)(C)C)NC(=O)c1ccccc1

STK558635
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)[N+](=O)[O-])CC(C)C)nc1n(c2=O)cccc1C

STK845681
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl(2E)- 3- phenylprop- 2- enoate
Smiles: O=C(Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2)/C=C/c1ccccc1

STK558649
Synonyms: N- (3- methoxypropyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: COCCCNc1nnnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK845682
Synonyms: 2- [4- (benzyloxy)phenyl]- 4- oxo- 1- phenylazetidine- 2- carbonitrile
Smiles: N#CC1(CC(=O)N1c1ccccc1)c1ccc(cc1)OCc1ccccc1

STK558653
Synonyms: N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1F)Cc1ccco1)nc1n(c2=O)cccc1C

STK558654
Synonyms: (3aR,6aS)- 5- (4- methylphenyl)- 3- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK558656
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]acetamide
Smiles: CCCCn1/c(=N/C(=O)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK558658
Synonyms: 2- (4- tert- butyl- 2,6- dimethylbenzyl)- 4,5- dihydro- 1H- imidazole
Smiles: Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C

STK558664
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3,4- dimethylbenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(c(c2)C)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK558668
Synonyms: ethyl3- (1,3- benzothiazol- 2- yl)- 7- {[(2- bromophenyl)carbonyl]oxy}- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)c1ccccc1Br

STK558671
Synonyms: ethyl(2Z)- 2- {[(2- bromophenyl)carbonyl]imino}- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2Br)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK845689
Synonyms: ethyl7- [(4- fluorobenzyl)oxy]- 3- (4- methoxyphenyl)- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccc(cc3)F)ccc2c(=O)c1c1ccc(cc1)OC

STK558678
Synonyms: N- (butan- 2- yl)- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: CCC(Nc1nc(nc2c1cccc2)c1ccccn1)C

STK845690
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (6- chloro- 4H- 1,3- benzodioxin- 8- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(Cl)cc2c1OCOC2)/c1nc2c(o1)cccc2

STK558683
Synonyms: N~2~- (4- chlorophenyl)- N~4~- (2- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(Nc2ccc(cc2)Cl)nc(c1[N+](=O)[O-])N

STK558697
Synonyms: 4- (4- cyclohexylpiperazin- 1- yl)- 7- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)C1CCCCC1

STK845691
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- (3- methylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK845692
Synonyms: N- [6,6- dimethyl- 1- (4- methylphenyl)- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]benzamide
Smiles: Cc1ccc(cc1)N1C2=C(C(C1=O)(NC(=O)c1ccccc1)C(F)(F)F)C(=O)CC(C2)(C)C

STK558702
Synonyms: 2- {[4- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]amino}ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1

STK558726
Synonyms: 8- amino- 3- benzyl- 7- methylbenzo[g]pteridine- 2,4(1H,3H)- dione
Smiles: Nc1cc2nc3[nH]c(=O)n(c(=O)c3nc2cc1C)Cc1ccccc1

STK558729
Synonyms: 1- cyclohexyl- 3- hydroxy- 6,6- dimethyl- 3- (trifluoromethyl)- 3,5,6,7- tetrahydro- 1H- indole- 2,4- dione
Smiles: O=C1CC(C)(C)CC2=C1C(O)(C(=O)N2C1CCCCC1)C(F)(F)F

STK558730
Synonyms: N- (7- methyl- 1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)pyridine- 3- carboxamide
Smiles: CCCn1nc(c2c1nc1cc(C)ccc1c2)NC(=O)c1cccnc1

STK845698
Synonyms: 7- (2- fluorophenyl)- 5- (4- fluorophenyl)- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(n2c(N1)ncn2)c1ccccc1F

STK558733
Synonyms: 2- chloro- 6,7- dihydro- 5H- cyclopenta[b]pyridine- 3- carbonitrile
Smiles: N#Cc1cc2CCCc2nc1Cl

STK845703
Synonyms: N- (3- fluorophenyl)- 2- (morpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCOCC1

STK845704
Synonyms: 6- (4- ethoxyphenyl)- 3- (pyridin- 4- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nn2c(s1)nnc2c1ccncc1

STK558746
Synonyms: N,N- dimethyl- N'- [4- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]ethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1)C

STK558747
Synonyms: 5- hydrazinyl- 2- methyl- 1,3- oxazole- 4- carbonitrile
Smiles: NNc1oc(nc1C#N)C

STK558752
Synonyms: N- (2- {4,4- dimethyl- 2- [(4- methylphenyl)amino]- 6- oxocyclohex- 1- en- 1- yl}- 1,1,1,3,3,3- hexafluoropropan- 2- yl)pyridine- 4- carboxamide
Smiles: Cc1ccc(cc1)NC1=C(C(=O)CC(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccncc1

STK558756
Synonyms: 4- amino- 8,9,10,11- tetrahydropyrimido[1',2':1,5]pyrazolo[3,4- b]quinoline- 3- carbonitrile
Smiles: N#Cc1cnc2n(c1N)nc1c2cc2c(n1)CCCC2

STK845707
Synonyms: N- [6,6- dimethyl- 2,4- dioxo- 1- (tetrahydrofuran- 2- ylmethyl)- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]benzamide
Smiles: O=C(c1ccccc1)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)CC1CCCO1)C(F)(F)F

STK558757
Synonyms: 3- (3- chlorophenyl)- 6- (thiophen- 2- ylmethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)Cc1cccs1

STK845709
Synonyms: N- cyclohexyl- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N1CCCC1

STK845710
Synonyms: 2- [(4- fluorophenoxy)methyl]- 5- [(4- methoxybenzyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NCc1ccc(cc1)OC)COc1ccc(cc1)F

STK845711
Synonyms: N- [1- cyclohexyl- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]benzamide
Smiles: O=C(c1ccccc1)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)C1CCCCC1)C(F)(F)F

STK558762
Synonyms: 5- nitro- 2,6- di(piperidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N1CCCCC1

STK558773
Synonyms: 7- hydroxy- 1- (pentan- 2- yl)- 4- [4- (pentyloxy)phenyl]- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: CCCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CCC)C)O

STK845715
Synonyms: 2- {(4E)- 4- [(4- chlorophenyl)imino]- 3,4- dihydroquinazolin- 2- yl}phenol
Smiles: Clc1ccc(cc1)/N=c\1/[nH]c(nc2c1cccc2)c1ccccc1O

STK845716
Synonyms: 1- (4- chlorophenyl)- 3- [(2Z)- 5- methyl- 4- oxo- 1,3- thiazolidin- 2- ylidene]urea
Smiles: CC1S/C(=N\C(=O)Nc2ccc(cc2)Cl)/NC1=O

STK845717
Synonyms: 1- cycloheptyl- 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]n2C1CCCCCC1)O

STK558785
Synonyms: N- ethyl- N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- 2- phenoxyacetamide
Smiles: CCN(C(=O)COc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O

STK558814
Synonyms: 5- butyl- 3- [2- (3,4- dimethoxyphenyl)ethyl]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCC1C(=NC(=O)N(C1=O)CCc1ccc(c(c1)OC)OC)O

STK558815
Synonyms: 5- {[6- hydroxy- 4- oxo- 1- (prop- 2- en- 1- yl)- 2- sulfanyl- 1,4- dihydropyrimidin- 5- yl](pyridinium- 4- yl)methyl}- 6- oxo- 1- (prop- 2- en- 1- yl)- 2- sulfanyl- 1,6- dihydropyrimidin- 4- olate
Smiles: C=CCn1c(S)nc(=O)c(c1O)C(c1c([O-])nc(n(c1=O)CC=C)S)c1cc[nH+]cc1

STK558816
Synonyms: 3- benzyl- 8- fluoro- 2- sulfanyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Fc1ccc2c(c1)c1nc(S)n(c(=O)c1[nH]2)Cc1ccccc1

STK558823
Synonyms: 5- (3- methoxyphenyl)- 7- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(c2ccccc2)n2c(=N1)[nH]cn2

STK558824
Synonyms: 3- (3- chlorophenyl)- 2- hydroxy- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1cccc(c1)n1c(O)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK558828
Synonyms: N- {(5Z)- 2- phenyl- 5- [(phenylcarbonyl)imino]- 2,5- dihydro- 1H- 1,2,4- triazol- 3- yl}furan- 2- carboxamide
Smiles: O=C(c1ccccc1)/N=c/1\[nH]n(c(n1)NC(=O)c1ccco1)c1ccccc1

STK558831
Synonyms: (E)- {2- (furan- 2- yl)- 1- [2- (morpholin- 4- ium- 4- yl)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}[4- (morpholin- 4- ylsulfonyl)phenyl]methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N2CCOCC2)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccco1

STK558840
Synonyms: N- [1- (4- fluorophenyl)- 4- hydroxy- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]- 3- phenylpropanamide
Smiles: O=C(NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccc(cc1)F)C(F)(F)F)CCc1ccccc1

STK845731
Synonyms: 4- [(4Z)- 4- {[3- (trifluoromethyl)phenyl]imino}- 3,4- dihydrophthalazin- 1- yl]phenol
Smiles: Oc1ccc(cc1)c1n[nH]/c(=N\c2cccc(c2)C(F)(F)F)/c2c1cccc2

STK558846
Synonyms: N- [4- ({(E)- [1- (2- methoxyphenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}amino)phenyl]acetamide
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C\Nc2ccc(cc2)NC(=O)C)/C1=O)S

STK558848
Synonyms: 2- {(6Z)- 6- [(2- fluorophenyl)imino]- 4- methyl- 1,6- dihydropyrimidin- 2- yl}phenol
Smiles: Cc1c/c(=N/c2ccccc2F)/[nH]c(n1)c1ccccc1O

STK558857
Synonyms: 4- hydroxy- 10- (4- methylphenyl)- 7- nitropyrimido[4,5- b]quinolin- 2(10H)- one
Smiles: Cc1ccc(cc1)n1c2ccc(cc2cc2c1nc(=O)nc2O)[N+](=O)[O-]

STK558865
Synonyms: 4- (4- methylphenyl)- 1,3- diphenyl- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7- ol
Smiles: OC1=Nc2c(C(SC1)c1ccc(cc1)C)c(nn2c1ccccc1)c1ccccc1

STK558871
Synonyms: (2- methoxy- 5- {[(1Z)- 4- [4- methyl- 3- (piperidin- 1- ylsulfonyl)phenyl]phthalazin- 1(2H)- ylidene]amino}phenyl)(piperidin- 1- yl)methanone
Smiles: COc1ccc(cc1C(=O)N1CCCCC1)/N=c/1\[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCCCC1)C

STK558875
Synonyms: N- [(2Z)- 7- ethoxy- 4- methylquinazolin- 2(3H)- ylidene]- 4,4,6- trimethyl- 1,4- dihydropyrimidin- 2- amine
Smiles: CCOc1ccc2c(c1)n/c(=N\C1=NC(C=C(N1)C)(C)C)/[nH]c2C

STK558882
Synonyms: [8- (benzylamino)- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 9- ium- 7- yl]acetate
Smiles: [O-]C(=O)Cn1c(NCc2ccccc2)[nH+]c2c1c(=O)n(c(=O)n2C)C

STK558898
Synonyms: 1- [(2Z)- 5- (2- ethoxyethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (4- methylphenyl)urea
Smiles: CCOCCc1n[nH]/c(=N/C(=O)Nc2ccc(cc2)C)/s1

STK558903
Synonyms: {[4,6- dihydroxy- 5- (propan- 2- yl)pyrimidin- 2- yl]sulfanyl}aceticacid
Smiles: CC(c1c(O)nc(nc1O)SCC(=O)O)C

STK558913
Synonyms: 2- methyl- 3- ({(E)- [3- methyl- 1- (4- methylphenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazol- 4- yl]methylidene}amino)quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)N1N=C(C(C1=O)/C=N/n1c(C)nc2c(c1=O)cccc2)C

STK558914
Synonyms: 2- {(4Z)- 4- [(2,5- dimethylphenyl)imino]- 3,4- dihydroquinazolin- 2- yl}- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc2ccccc2/c(=N/c2cc(C)ccc2C)/[nH]1

STK558918
Synonyms: (E)- {2- (furan- 2- yl)- 1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(4- propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)CCCn1c[nH+]cc1)/[O-]

STK845752
Synonyms: N- [(4Z)- 1- benzyl- 1,7- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- ylidene]- 3,4- dimethoxyaniline
Smiles: COc1cc(ccc1OC)/N=c/1\nc[nH]c2c1cnn2Cc1ccccc1

STK845753
Synonyms: N- [(2E)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]cyclobutanecarboxamide
Smiles: CCc1n[nH]/c(=N\C(=O)C2CCC2)/s1

STK558938
Synonyms: 4- (2- bromo- 4- methylphenyl)- 5- [(1R,2R)- 2- phenylcyclopropyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(c(c1)Br)n1c(=S)[nH]nc1[C@@H]1C[C@H]1c1ccccc1

STK558941
Synonyms: 1- [7- (2- chlorophenyl)- 5- (4- chlorophenyl)- 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)c1ccccc1Cl

STK558951
Synonyms: 6- hydroxy- 3- methyl- 8- [(2- phenylethyl)sulfanyl]- 7- propyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCn1c(SCCc2ccccc2)nc2c1c(O)nc(=O)n2C

STK558959
Synonyms: methyl{[4- (1,3- benzodioxol- 5- yl)- 3- cyano- 5- hydroxy- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccc2c(c1)OCO2

STK558960
Synonyms: 6- chloro- 4- phenyl- 3- {[4- (2- phenylethyl)- 5- (3,4,5- trimethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}quinolin- 2- ol
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1CCc1ccccc1)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK558966
Synonyms: 5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 4- cyclohexyl- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1C1CCCCC1)CSc1nc2c(s1)cccc2

STK558973
Synonyms: 4- chloro- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methylphenyl)benzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccc(cc1)Cl)Cc1cc2ccc(cc2[nH]c1=O)C

STK845767
Synonyms: 1- cycloheptyl- 4- (3,4- dimethoxyphenyl)- 7- hydroxy- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: COc1cc(ccc1OC)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)O

STK845768
Synonyms: 2- imino- 5- phenyl- 2,3,5,6- tetrahydro- 1,3- benzothiazol- 7(4H)- one
Smiles: O=C1CC(Cc2c1sc(=N)[nH]2)c1ccccc1

STK845769
Synonyms: N'- [(E)- (2,6- dichlorophenyl)methylidene]- 2- (3- hydroxy- 1H- pyrazol- 5- yl)acetohydrazide
Smiles: O=C(Cc1[nH]nc(c1)O)N/N=C/c1c(Cl)cccc1Cl

STK558987
Synonyms: 2- (4- hydroxy- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 7- ium- 2- yl)- 4- iodophenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1cc(I)ccc1[O-])O

STK558990
Synonyms: 5- (2,4- dihydroxy- 5H- chromeno[2,3- d]pyrimidin- 5- yl)- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)C(C(=N1)O)C1c2ccccc2Oc2c1c(O)nc(n2)O

STK559011
Synonyms: (5Z)- 5- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]methylidene}- 3- (2- fluorophenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C\Nc1c(C)n(n(c1=O)c1ccccc1)C)c1ccccc1F

STK559015
Synonyms: (4E)- 2- (4- fluorophenyl)- 5- hydroxy- 4- {[5- (1- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)furan- 2- yl]methylidene}- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Fc1ccc(cc1)N1N=C(/C(=C\c2ccc(o2)c2ccc3c(c2)COC3=O)/C1=O)O

STK559023
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 2- (4- methylphenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(3- methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCCn1cc[nH+]c1)/[O-]

STK559028
Synonyms: (E)- (3- chloro- 4- methoxyphenyl)[2- (4- methylphenyl)- 4,5- dioxo- 1- (pyridinium- 2- yl)pyrrolidin- 3- ylidene]methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)c1cccc[nH+]1)/[O-]

STK559032
Synonyms: 4- [(E)- {2- [(1,3- benzoxazol- 3- ium- 2- ylsulfanyl)acetyl]hydrazinylidene}methyl]- 2- ethoxyphenolate
Smiles: CCOc1cc(/C=N/NC(=O)CSc2oc3c([nH+]2)cccc3)ccc1[O-]

STK559042
Synonyms: 4- hydroxy- 9- methyl- 2H- pyrido[1,2- a]pyrimidin- 2- one
Smiles: O=c1cc(O)n2c(n1)c(C)ccc2

STK559044
Synonyms: 6- chloro- 3- (dipropylamino)- 4- phenylquinolin- 2- ol
Smiles: CCCN(c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl)CCC

STK559045
Synonyms: 5- (furan- 2- yl)- 4- {[(E)- (3- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccco1

STK559046
Synonyms: (E)- (4- methoxy- 2- methylphenyl)[2- (4- methylphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene]methanolate
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc[nH+]c1)/[O-]

STL036498
Synonyms: (4- chlorophenyl)[5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazol- 4- yl]methanone
Smiles: Clc1ccc(cc1)C(=O)c1cn[nH]c1c1cc(C)ccc1O

STK559047
Synonyms: 6- hydroxy- 8- {[3- (1H- imidazol- 1- yl)propyl]amino}- 3- methyl- 7- (3- phenylpropyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1n(CCCc1ccccc1)c(n2)NCCCn1cncc1)C

STK559049
Synonyms: N- [2- (diethylamino)ethyl]- 2,4- dihydroxy- 5,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: CCN(CCNC(=O)c1c(O)nc2c(c1O)CCCC2)CC

STK559062
Synonyms: 7- tert- butyl- 3- (2- methylphenyl)- 2- thioxo- 2,3,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: Cc1ccccc1n1c(=S)[nH]c2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK845787
Synonyms: 3- hydroxy- 1- oxo- N- (1- phenylethyl)- 6,7- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 2- carboxamide
Smiles: CC(c1ccccc1)NC(=O)c1c(=O)c2cccc3c2n(c1O)CCC3

STK559065
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 2- ({[(1E)- 1- (4- bromophenyl)ethylidene]amino}oxy)acetamide
Smiles: Brc1ccc(cc1)/C(=N/OCC(=O)/N=c\1/sc2c([nH]1)cccc2)/C

STK845788
Synonyms: 5- cyclohexyl- 4- {[(E)- pyridin- 2- ylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccccn1)C1CCCCC1

STK845789
Synonyms: 2- (5- bromo- 2,3- dihydroxy- 3H- indol- 3- yl)- 1- (furan- 2- yl)ethanone
Smiles: Brc1ccc2c(c1)C(O)(CC(=O)c1ccco1)C(=N2)O

STK845792
Synonyms: 1- [(2E)- 5- (1,3- benzodioxol- 5- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (2- fluorophenyl)urea
Smiles: O=C(/N=c/1\[nH]nc(s1)c1ccc2c(c1)OCO2)Nc1ccccc1F

STK559088
Synonyms: 4- fluoro- N- methyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: Fc1ccc(cc1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C

STL036499
Synonyms: 1- (2- methoxyphenyl)- 3- (3- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)urea
Smiles: COc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)OC2

STK559099
Synonyms: 4- [(E)- {[3- (pyridin- 4- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccncc1

STK559101
Synonyms: 3- ethyl- 5,5- dimethyl- 2- sulfanyl- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCn1c(S)nc2c(c1=O)C(C)(C)Cc1c2cccc1

STK559119
Synonyms: 4- {(E)- [(3- cyclohexyl- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl)imino]methyl}- 2- methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1C1CCCCC1

STK845801
Synonyms: 5,7- bis(4- methoxyphenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1ccc(cc1)OC

STK559126
Synonyms: N- [(2Z)- benzo[cd]indol- 2(1H)- ylidene]- 4- chloroaniline
Smiles: Clc1ccc(cc1)/N=c/1\[nH]c2c3c1cccc3ccc2

STK845802
Synonyms: N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- phenylpyridine- 3- carboxamide
Smiles: O=C(N(c1ccccc1)Cc1cc2ccccc2[nH]c1=O)c1cccnc1

STK559132
Synonyms: 3- (3- hydroxy- 5- methyl- 1H- pyrazol- 4- yl)- N'- [(3Z)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]propanehydrazide
Smiles: O=C(CCc1c(C)[nH]nc1O)N/N=C/1\C(=O)Nc2c1cccc2

STK559134
Synonyms: 2,6- dihydroxy- 5- [4- (propan- 2- yloxy)benzyl]- 5- [2- (pyridin- 4- yl)ethyl]pyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)C(C(=N1)O)(CCc1ccncc1)Cc1ccc(cc1)OC(C)C

STK559138
Synonyms: 4- bromo- 2- [(E)- {[4- (2- methoxyphenyl)piperazin- 4- ium- 1- yl]imino}methyl]phenolate
Smiles: COc1ccccc1[NH+]1CCN(CC1)/N=C/c1cc(Br)ccc1[O-]

STK845804
Synonyms: 2- {[(2Z)- 6- ethyl- 4- methylquinazolin- 2(3H)- ylidene]amino}- 6- {[(4- methylphenyl)sulfanyl]methyl}pyrimidin- 4(1H)- one
Smiles: CCc1ccc2c(c1)c(C)[nH]/c(=N/c1nc(=O)cc([nH]1)CSc1ccc(cc1)C)/n2

STK559139
Synonyms: (5E)- 3- [2- (4- fluorophenyl)ethyl]- 6- hydroxy- 5- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: Fc1ccc(cc1)CCN1C(=O)N=C(/C(=C\NCCCN2CCOCC2)/C1=O)O

STK559148
Synonyms: 2- {5- [(Z)- (1- butyl- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]- 2- methoxybenzyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: CCCCN1C(=NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O)S

STK559149
Synonyms: 4,6- dihydroxy- 1- methyl- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidin- 2(1H)- one
Smiles: Oc1nc(=O)n(c(c1C1NCCc2c1cccc2)O)C

STK559152
Synonyms: 2- {[4- (1,3- benzodioxol- 5- yl)- 3- cyano- 5- hydroxy- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)N=C2C(=C(O)CCC2)C1c1ccc2c(c1)OCO2

STK559154
Synonyms: 2- {[4- (1,3- benzodioxol- 5- yl)- 3- cyano- 6- hydroxy- 4,5- dihydropyridin- 2- yl]sulfanyl}- N- (4- ethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)N=C(CC1c1ccc2c(c1)OCO2)O

STK559160
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]propanamide
Smiles: CCC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2CC(C)C)C(F)(F)F

STK559168
Synonyms: 2- [(4Z)- 7,7- dimethyl- 4- (phenylimino)- 2- sulfanyl- 8- oxa- 1,3- diazaspiro[4.5]dec- 2- en- 1- yl]- 1- phenylethanone
Smiles: O=C(c1ccccc1)CN1C(=N/C(=N\c2ccccc2)/C21CCOC(C2)(C)C)S

STK559171
Synonyms: N- (4- {[(4Z)- 2,6- dimethylpyrimidin- 4(3H)- ylidene]sulfamoyl}phenyl)- 2- (2- methoxyethoxy)acetamide
Smiles: COCCOCC(=O)Nc1ccc(cc1)S(=O)(=O)/N=c\1/cc(C)nc([nH]1)C

STK559172
Synonyms: (5E)- 1- (2- methoxyphenyl)- 5- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C\NCCCN2CCOCC2)/C1=O)S

STK559175
Synonyms: N'- (benzo[cd]indol- 2- yl)- 2,4- dichlorobenzohydrazide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NNC1=Nc2c3c1cccc3ccc2

STK559179
Synonyms: (5E)- 6- hydroxy- 5- [4- (oxiran- 2- ylmethoxy)benzylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1NC(=O)/C(=C/c2ccc(cc2)OCC2CO2)/C(=N1)O

STK559181
Synonyms: 5- (3- methoxyphenyl)- 7- (4- methoxyphenyl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1C=C(N=c2n1nc[nH]2)c1cccc(c1)OC

STK559186
Synonyms: (5Z)- 6- hydroxy- 5- [(5- methylthiophen- 2- yl)methylidene]- 3- phenylpyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1ccc(s1)/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O

STK559190
Synonyms: (4E)- 4- [(2,3- dimethylphenyl)imino]- 6- [(4- methoxyphenoxy)methyl]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccc(cc1)OCc1nc(N)n/c(=N/c2cccc(c2C)C)/[nH]1

STK845817
Synonyms: 3- {[(4- methoxyphenyl)amino]methyl}- 7- methylquinolin- 2(1H)- one
Smiles: COc1ccc(cc1)NCc1cc2ccc(cc2[nH]c1=O)C

STK559203
Synonyms: 6- (ethylsulfonyl)- 3- [(Z)- 2- (4- fluorophenyl)- 2- hydroxyethenyl]- 2H- 1,4- benzoxazin- 2- one
Smiles: CCS(=O)(=O)c1ccc2c(c1)nc(c(=O)o2)/C=C(/c1ccc(cc1)F)\O

STK559209
Synonyms: N'- {(E)- [1- (4- fluorobenzyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}pyridine- 4- carbohydrazide
Smiles: Fc1ccc(cc1)CN1C(=NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O)S

STK845818
Synonyms: N- [(2Z)- 6- bromo- 4- (2- chlorophenyl)quinazolin- 2(3H)- ylidene]aniline
Smiles: Brc1ccc2c(c1)c([nH]/c(=N/c1ccccc1)/n2)c1ccccc1Cl

STK559216
Synonyms: (5Z)- 6- hydroxy- 3- (3- methoxyphenyl)- 5- (1H- pyrrol- 2- ylmethylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1cccc(c1)N1C(=O)N=C(/C(=C/c2ccc[nH]2)/C1=O)O

STK559225
Synonyms: N- (4- {[(1Z)- 4- {4- methyl- 3- [(tetrahydrofuran- 2- ylmethyl)sulfamoyl]phenyl}phthalazin- 1(2H)- ylidene]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)/N=c/1\[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCC1CCCO1)C

STK559230
Synonyms: 3- {[(E)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene}methyl]amino}benzoicacid
Smiles: SC1=NC(=O)/C(=C\Nc2cccc(c2)C(=O)O)/C(=O)N1CCC1=CCCCC1

STK559247
Synonyms:
Smiles: CN1CCN(CC1)S(=O)(=O)c1ccc(c2c1nsn2)C

STK559249
Synonyms: 7- (2- chloro- 6- fluorophenyl)- 5- (3- methoxyphenyl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(n2c(=N1)[nH]cn2)c1c(F)cccc1Cl

STK559252
Synonyms: (5Z)- 2- [(4- bromophenyl)amino]- 5- (pyridin- 3- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Brc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccnc2)/S1

STK559254
Synonyms: 2- bromo- 4- [(E)- {2- [7- (4- chlorobenzyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl]hydrazinylidene}methyl]- 6- methoxyphenolate
Smiles: COc1cc(/C=N/Nc2[nH+]c3c(n2Cc2ccc(cc2)Cl)c(=O)n(c(=O)n3C)C)cc(c1[O-])Br

STK559261
Synonyms: 6- hydroxy- 3- methyl- 8- {[3- (morpholin- 4- yl)propyl]amino}- 3,9- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1nc([nH]2)NCCCN1CCOCC1)C

STK559266
Synonyms: 4- [(1E)- N- (4- chlorophenyl)ethanimidoyl]- 3- methyl- 1- (4- nitrophenyl)- 1H- pyrazol- 5- ol
Smiles: Clc1ccc(cc1)/N=C(/c1c(C)nn(c1O)c1ccc(cc1)[N+](=O)[O-])\C

STK845826
Synonyms: 4- (3,4- dimethoxyphenyl)- 7- hydroxy- 1- (pentan- 2- yl)- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(c(c1)OC)OC)C

STK845827
Synonyms: 1- (4- methoxyphenyl)- 3- [(2Z)- 5- [(4- propylphenoxy)methyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]urea
Smiles: CCCc1ccc(cc1)OCc1n[nH]/c(=N/C(=O)Nc2ccc(cc2)OC)/s1

STK559282
Synonyms: 4- chloro- N- (2- methoxyphenyl)- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COc1ccccc1N(C(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O

STK559288
Synonyms: N- [2- (2- {(Z)- [1- (2- fluorophenyl)- 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)c2ccccc2F)S)[nH]c2c1cccc2

STK559291
Synonyms: (E)- {2- (3- bromophenyl)- 1- [2- (morpholin- 4- ium- 4- yl)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2,4- dimethyl- 1,3- thiazol- 5- yl)methanolate
Smiles: Brc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-]

STK559292
Synonyms: 6- chloro- 3- (diethylamino)- 4- phenyl- 3,4- dihydroquinolin- 2- ol
Smiles: CCN(C1C(=Nc2c(C1c1ccccc1)cc(cc2)Cl)O)CC

STK559300
Synonyms: 4- methyl- N- [(E)- 2- phenyl- 1- (5- sulfanyl- 1H- 1,2,4- triazol- 3- yl)ethenyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)N/C(=C/c1ccccc1)/c1n[nH]c(n1)S

STK559311
Synonyms: 2- hydroxy- 4- oxo- 1- pentyl- N- (pyrazin- 2- yl)- 1,4- dihydroquinoline- 3- carboxamide
Smiles: CCCCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2c1cccc2

STK559316
Synonyms: 2,5- dimethyl- N- [(1E)- 4- {4- methyl- 3- [(4- methylpiperazin- 1- yl)sulfonyl]phenyl}phthalazin- 1(2H)- ylidene]aniline
Smiles: CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N/c2cc(C)ccc2C)/c2c1cccc2

STK845835
Synonyms: ethyl4- amino- 2- {[(2E)- 4,6- dimethylquinazolin- 2(1H)- ylidene]amino}- 6- phenylpyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1c(N)nc(nc1c1ccccc1)/N=c\1/nc(C)c2c([nH]1)ccc(c2)C

STK559324
Synonyms: 7- hydroxy- 6- [(4- hydroxy- 3- methoxyphenyl)(5- hydroxy- 7- oxo- 2,3- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 6- yl)methyl]- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidin- 5- one
Smiles: COc1cc(ccc1O)C(c1c(O)nc2n(c1=O)CCS2)c1c(=O)nc2n(c1O)CCS2

STK559328
Synonyms: (3Z)- 3- [(2E)- 4- hydroxy- 2- [(3- hydroxyphenyl)imino]- 1,3- thiazol- 5(2H)- ylidene]- 1- methyl- 1,3- dihydro- 2H- indol- 2- one
Smiles: Oc1cccc(c1)/N=C/1\N=C(/C(=C\2/C(=O)N(c3c2cccc3)C)/S1)O

STK559333
Synonyms: 1- [3- (6- bromo- 2- hydroxy- 4- phenylquinolin- 3- yl)- 5- (furan- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)C1=NN(C(C1)c1ccco1)C(=O)C

STK559335
Synonyms: (E)- {1- [2- (dimethylammonio)ethyl]- 4,5- dioxo- 2- (thiophen- 2- yl)pyrrolidin- 3- ylidene}(2- methylimidazo[1,2- a]pyridin- 3- yl)methanolate
Smiles: C[NH+](CCN1C(c2cccs2)/C(=C(/c2c(C)nc3n2cccc3)\[O-])/C(=O)C1=O)C

STK845838
Synonyms: 2- [(2E)- 1,3- benzoxazol- 2(3H)- ylideneamino]- N- (4- fluorophenyl)- 4,6- dimethylpyrimidine- 5- carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1c(C)nc(nc1C)/N=c\1/oc2c([nH]1)cccc2

STK559338
Synonyms: 2- hydroxy- 1- methyl- 4- oxo- N'- tetradecanoyl- 1,4- dihydroquinoline- 3- carbohydrazide
Smiles: CCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(C)c2c(c1=O)cccc2

STK559339
Synonyms: 2- methoxy- 6- {(4Z)- 4- [(2- methylphenyl)imino]- 3,4- dihydroquinazolin- 2- yl}phenol
Smiles: COc1cccc(c1O)c1nc2ccccc2/c(=N/c2ccccc2C)/[nH]1

STK559348
Synonyms: 5- cyclohexyl- 4- {[(E)- (3,4,5- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(/C=N/n2c(n[nH]c2=S)C2CCCCC2)cc(c1OC)OC

STK845840
Synonyms: (5Z)- 5- [4- (dimethylamino)- 3- nitrobenzylidene]- 3- (3,4- dimethylphenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C(=O)N1c1ccc(c(c1)C)C

STK559353
Synonyms: 8- ethyl- 2- (4- {[(2- iodophenyl)carbonyl]carbamothioyl}piperazin- 1- ium- 1- yl)- 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)NC(=O)c1ccccc1I

STK559372
Synonyms: N- cyclohexyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]furan- 2- carboxamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1ccco1)C1CCCCC1

STK845844
Synonyms: N- [(2Z)- 6- bromo- 1,3- benzothiazol- 2(3H)- ylidene]- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: Brc1ccc2c(c1)s/c(=N\C(=O)C13CCC(C3(C)C)(C(=O)C1)C)/[nH]2

STK559382
Synonyms: (5E)- 5- [(2,5- dimethyl- 1H- pyrrol- 3- yl)methylidene]- 2- hydroxy- 1- phenylpyrimidine- 4,6(1H,5H)- dione
Smiles: OC1=NC(=O)/C(=C\c2cc([nH]c2C)C)/C(=O)N1c1ccccc1

STK559386
Synonyms: 7- (4- methylphenyl)- 5- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Cc1ccc(cc1)C1C=C(N=c2n1nc[nH]2)c1ccccc1

STK559389
Synonyms: (E)- [1- (3- methoxypropyl)- 4,5- dioxo- 2- (pyridinium- 4- yl)pyrrolidin- 3- ylidene][3- methyl- 4- (2- methylpropoxy)phenyl]methanolate
Smiles: COCCCN1C(c2cc[nH+]cc2)/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C1=O

STK559397
Synonyms: (E)- [1- (6- methylpyridinium- 2- yl)- 4,5- dioxo- 2- phenylpyrrolidin- 3- ylidene](thiophen- 2- yl)methanolate
Smiles: Cc1cccc([nH+]1)N1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccccc1

STK559399
Synonyms: N- [7- (4- chlorophenyl)- 5- methyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]acetamide
Smiles: CC(=O)Nc1[nH]c2=NC(=CC(n2n1)c1ccc(cc1)Cl)C

STK559401
Synonyms: 7- (3,4- dimethoxyphenyl)- 5- phenyl- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1cc(ccc1OC)C1C=C(N=c2n1nn[nH]2)c1ccccc1

STK559404
Synonyms: N'- [(E)- (1- cyclohexyl- 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)C1CCCCC1)S

STK559411
Synonyms: N'- (4,6- dimethylpyrimidin- 2- yl)- 4- (4- methoxyphenyl)- N- [(4- methylphenyl)sulfonyl]piperazine- 1- carboximidamide
Smiles: COc1ccc(cc1)N1CCN(CC1)/C(=N\c1nc(C)cc(n1)C)/NS(=O)(=O)c1ccc(cc1)C

STK559416
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- N'- [(E)- (4- methoxy- 3- {[(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]methyl}phenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohy
Smiles: COc1ccc(cc1CSc1nnc(s1)C)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N

STK559433
Synonyms: 2- (4- hydroxy- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 7- ium- 2- yl)phenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1ccccc1[O-])O

STK845851
Synonyms: 8- (2- methylbutan- 2- yl)- 2- phenyl- 1,2,4- triazaspiro[4.5]dec- 3- ene- 3- thiol
Smiles: CCC(C1CCC2(CC1)NN(C(=N2)S)c1ccccc1)(C)C

STK559439
Synonyms: (5Z)- 1- (2- fluorophenyl)- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\c1cn(c2c1cccc2)C)c1ccccc1F

STK559452
Synonyms: (E)- [4,5- dioxo- 1- (pyridinium- 3- ylmethyl)- 2- (pyridin- 3- yl)pyrrolidin- 3- ylidene](3- methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/[O-]

STK559455
Synonyms: 4- (1,3- benzodioxol- 5- yl)- 7- hydroxy- 1- (pentan- 2- yl)- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc2c(c1)OCO2)C

STK845852
Synonyms: 5- (4- methoxyphenyl)- 7- phenyl- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(c2ccccc2)n2c(=N1)[nH]nn2

STK559462
Synonyms: (E)- (2- methylimidazo[1,2- a]pyridin- 3- yl){1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxo- 2- (pyridin- 4- yl)pyrrolidin- 3- ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2c(C)nc3n2cccc3)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccncc1

STK559467
Synonyms: 2,6- dimethoxy- 4- [(Z)- (3- oxo[1,3]thiazolo[3,2- a]benzimidazol- 9- ium- 2(3H)- ylidene)methyl]phenolate
Smiles: COc1cc(cc(c1[O-])OC)/C=c/1\sc2n(c1=O)c1c([nH+]2)cccc1

STK559468
Synonyms: N'- {(E)- [1- (3- methoxyphenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}benzohydrazide
Smiles: COc1cccc(c1)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O)S

STK559472
Synonyms: 2- methyl- 3- propyl- 4- thioxo- 1,4- dihydroquinoline- 6- carboxylicacid
Smiles: CCCc1c(C)[nH]c2c(c1=S)cc(cc2)C(=O)O

STK559476
Synonyms: 7- butyl- 6- hydroxy- 3,4- dihydro- 2H,8H- pyrimido[2,1- b][1,3]thiazin- 8- one
Smiles: CCCCc1c(=O)nc2n(c1O)CCCS2

STK559483
Synonyms: 11- [4- (diethylamino)- 2- hydroxyphenyl]- 3,3,7,8- tetramethyl- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: CCN(c1ccc(c(c1)O)C1Nc2cc(C)c(cc2N=C2C1=C(O)CC(C2)(C)C)C)CC

STK559489
Synonyms: methyl(5- oxo- 3- sulfanyl- 2,5- dihydro- 1,2,4- triazin- 6- yl)acetate
Smiles: COC(=O)Cc1n[nH]c(nc1=O)S

STK559497
Synonyms: 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- (4- fluorophenyl)- 3- methyl- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7- ol
Smiles: Fc1ccc(cc1)C1SCC(=Nc2c1c(C)nn2C1CCOC(C1)(C)C)O

STK559499
Synonyms: (E)- [4,5- dioxo- 2- (3- propoxyphenyl)- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK559502
Synonyms: (5E)- 5- [(azepan- 1- ylamino)methylidene]- 1- (3- methylphenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C\NN2CCCCCC2)/C1=O)S

STK559507
Synonyms: 2- hydroxy- 1- (2- methylpropyl)- 4- oxo- N- (pyrazin- 2- yl)- 1,4- dihydroquinoline- 3- carboxamide
Smiles: CC(Cn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2c1cccc2)C

STK559511
Synonyms: 7- methoxy- 3- [(Z)- (5- oxo- 2- phenyl- 1,3- oxazol- 4(5H)- ylidene)methyl]quinolin- 2(1H)- one
Smiles: COc1ccc2c(c1)[nH]c(=O)c(c2)/C=C/1\N=C(OC1=O)c1ccccc1

STK845863
Synonyms: 5- benzyl- 6- methyl- 2- {[(2Z)- 4,6,7- trimethylquinazolin- 2(3H)- ylidene]amino}pyrimidin- 4(1H)- one
Smiles: O=c1nc([nH]c(c1Cc1ccccc1)C)/N=c/1\nc2cc(C)c(cc2c([nH]1)C)C

STK559528
Synonyms: (2Z)- 2- [(2E)- {[1- (4- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}hydrazinylidene]- 2,3- dihydro- 1,3- benzothiazole
Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)/C=N/N=c/1\sc2c([nH]1)cccc2

STK845866
Synonyms: [(1,1- dioxidotetrahydrothiophen- 3- yl)ammonio]acetate
Smiles: [O-]C(=O)C[NH2+]C1CCS(=O)(=O)C1

STK559539
Synonyms: 7- (2,3- dihydroxypropyl)- 8- [(furan- 2- ylmethyl)amino]- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCC(Cn1c(NCc2ccco2)nc2c1c(O)nc(=O)n2C)O

STK845867
Synonyms: N- [(2E)- 4,6- dimethylquinazolin- 2(1H)- ylidene]- 4- methylpyrimidin- 2- amine
Smiles: Cc1ccnc(n1)/N=c\1/nc(C)c2c([nH]1)ccc(c2)C

STK559543
Synonyms: ethylnaphthalen- 1- ylcarbamate
Smiles: CCOC(=O)Nc1cccc2c1cccc2

STK559546
Synonyms: 2- hydroxy- 4- oxo- 1- (prop- 2- en- 1- yl)- N'- [(E)- pyridin- 4- ylmethylidene]- 1,4- dihydroquinoline- 3- carbohydrazide
Smiles: C=CCn1c(O)c(C(=O)N/N=C/c2ccncc2)c(=O)c2c1cccc2

STK559550
Synonyms: 3- {[(2Z)- 6- bromo- 4- phenylquinazolin- 2(3H)- ylidene]amino}benzoicacid
Smiles: Brc1ccc2c(c1)c([nH]/c(=N/c1cccc(c1)C(=O)O)/n2)c1ccccc1

STK559557
Synonyms: 3- butyl- 2- methyl- 4- thioxo- 1,4- dihydroquinoline- 6- carboxylicacid
Smiles: Cc1c(CCCC)c(=S)c2c([nH]1)ccc(c2)C(=O)O

STK559582
Synonyms: 4- methyl- N- [(E)- 1- (5- sulfanyl- 4H- 1,2,4- triazol- 3- yl)- 2- (thiophen- 2- yl)ethenyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)N/C(=C/c1cccs1)/c1nnc([nH]1)S

STK559584
Synonyms: 5- (2- methylpropyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline- 8(9H)- thione
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)nc[nH]c3=S)C

STK845873
Synonyms: 6- methyl- 3- {[(4- methylphenyl)amino]methyl}quinolin- 2(1H)- one
Smiles: Cc1ccc(cc1)NCc1cc2cc(C)ccc2[nH]c1=O

STK559609
Synonyms: (2E)- 4,6- dimethyl- 2- [(2E)- (1- phenylbutylidene)hydrazinylidene]- 1,2- dihydropyrimidine
Smiles: CCC/C(=N\N=c/1\nc(C)cc([nH]1)C)/c1ccccc1

STK845875
Synonyms: N- [(4E)- 1- benzyl- 1,7- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- ylidene]- 2- methoxyaniline
Smiles: COc1ccccc1/N=c\1/nc[nH]c2c1cnn2Cc1ccccc1

STK845876
Synonyms: 5- butyl- 2- (4- chlorophenyl)- 5- phenyl- 2,5- dihydro- 1H- 1,2,4- triazole- 3- thiol
Smiles: CCCCC1(N=C(N(N1)c1ccc(cc1)Cl)S)c1ccccc1

STK559616
Synonyms: 3- (2- methylpropoxy)- 2- sulfanylquinazolin- 4(3H)- one
Smiles: CC(COn1c(S)nc2c(c1=O)cccc2)C

STK559628
Synonyms: 6- ethyl- 6- methyl- 2- (methylsulfanyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 4- thione
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc([nH]c1=S)SC

STK559631
Synonyms: 2- hydroxy- 1- methyl- 4- oxo- N'- [(E)- pyridin- 2- ylmethylidene]- 1,4- dihydroquinoline- 3- carbohydrazide
Smiles: O=C(c1c(=O)c2ccccc2n(c1O)C)N/N=C/c1ccccn1

STK559636
Synonyms: (5Z)- 3- (4- ethylphenyl)- 6- hydroxy- 5- ({[3- (1H- imidazol- 1- yl)propyl]amino}methylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCc1ccc(cc1)N1C(=O)N=C(/C(=C/NCCCn2cncc2)/C1=O)O

STK559647
Synonyms: (E)- [2- (4- hydroxy- 3- methoxyphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK559648
Synonyms: 7- [(2- hydroxyethyl)sulfanyl]- 8- methyl[1,3]dioxolo[4,5- g]quinolin- 6- ol
Smiles: OCCSc1c(O)nc2c(c1C)cc1c(c2)OCO1

STK559651
Synonyms: 6- ethyl- 6- methyl- 9- (methylsulfanyl)- 6,11- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2)[nH]nc1SC

STK559657
Synonyms: 2- [(5Z)- 4- oxo- 5- (pyridinium- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- phenylpropanoate
Smiles: [O-]C(=O)C(N1C(=S)S/C(=C\c2ccc[nH+]c2)/C1=O)Cc1ccccc1

STK559666
Synonyms: ethyl(2Z)- 2- ({[(4- amino- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]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(N)c3c(n2)sc2c3CCCC2)/[nH]c1C

STK559679
Synonyms: 6- hydroxy- 7- (2- methoxyethyl)- 3- methyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: COCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCC1

STK845889
Synonyms: 1- (2- {[(2E)- 6- methoxy- 4- methylquinazolin- 2(1H)- ylidene]amino}- 4- methylpyrimidin- 5- yl)ethanone
Smiles: COc1ccc2c(c1)c(C)n/c(=N/c1ncc(c(n1)C)C(=O)C)/[nH]2

STK559709
Synonyms: {[4- (acetylamino)phenyl]sulfonyl}{3- [3- (3- methylbutyl)- 1H- imidazol- 3- ium- 1- yl]quinoxalin- 2- yl}azanide
Smiles: CC(CC[n+]1ccn(c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(cc1)NC(=O)C)C

STK559717
Synonyms: 4- chloro- N'- [(1Z)- 4,4,4- trifluoro- 3- oxo- 1- (pyridin- 2- yl)butylidene]benzohydrazide
Smiles: Clc1ccc(cc1)C(=O)N/N=C(\c1ccccn1)/CC(=O)C(F)(F)F

STK559727
Synonyms: (3Z)- 4- hydroxy- N'- [hydroxy(diphenyl)acetyl]- 4- (4- methoxyphenyl)- 2- oxobut- 3- enehydrazide
Smiles: COc1ccc(cc1)/C(=C/C(=O)C(=O)NNC(=O)C(c1ccccc1)(c1ccccc1)O)/O

STK559730
Synonyms: (E)- {1- [2- (dimethylammonio)ethyl]- 4,5- dioxo- 2- (thiophen- 2- yl)pyrrolidin- 3- ylidene}(2,8- dimethylimidazo[1,2- a]pyridin- 3- yl)methanolate
Smiles: C[NH+](CCN1C(c2cccs2)/C(=C(/c2c(C)nc3n2cccc3C)\[O-])/C(=O)C1=O)C

STK559745
Synonyms: 3- benzyl- 8- methoxy- 2- sulfanyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)c1nc(S)n(c(=O)c1[nH]2)Cc1ccccc1

STK559751
Synonyms: 3- [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (4- methylphenyl)- 4,5- dioxopyrrolidin- 1- yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)C

STK559764
Synonyms: 6- ethyl- 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 3- (1- methyl- 1H- benzimidazol- 2- yl)- 4- oxo- 2- (propan- 2- yl)- 4H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])c(CC)cc2c1oc(C(C)C)c(c2=O)c1nc2c(n1C)cccc2

STK559784
Synonyms: 2,2- dimethyl- 2,3- dihydro- 1H- phenothiazin- 4- ol
Smiles: OC1=C2Sc3ccccc3N=C2CC(C1)(C)C

STK845917
Synonyms: 4- methyl- 2- {[(7E)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(4H)- ylidene]amino}phenol
Smiles: Cc1ccc(c(c1)/N=c/1\cc(C)[nH]c2n1ncn2)O

STK845919
Synonyms: (5E)- 6- hydroxy- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidin- 4(5H)- one
Smiles: SC1=NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C(=N1)O

STK559812
Synonyms: 2- ethoxy- 4- {(E)- [(2Z)- [1,2,4]triazolo[3,4- a]phthalazin- 6(5H)- ylidenehydrazinylidene]methyl}phenol
Smiles: CCOc1cc(/C=N/N=c/2\[nH]n3cnnc3c3c2cccc3)ccc1O

STK559814
Synonyms: 3- [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (2- fluorophenyl)- 4,5- dioxopyrrolidin- 1- yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1F

STK559820
Synonyms: (E)- (4- methylphenyl)[2- (4- nitrophenyl)- 4,5- dioxo- 1- (pyrimidin- 1- ium- 2- yl)pyrrolidin- 3- ylidene]methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nccc[nH+]1)/[O-]

STK559822
Synonyms: 1- cycloheptyl- 4- (2,4- dichlorophenyl)- 7- hydroxy- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: Clc1ccc(c(c1)Cl)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)O

STK559826
Synonyms: (2E)- 2- {(2E)- [(2,5- dimethyl- 1H- indol- 3- yl)methylidene]hydrazinylidene}- 2,3- dihydro- 1,3- benzothiazole
Smiles: Cc1ccc2c(c1)c(/C=N/N=c\1/sc3c([nH]1)cccc3)c([nH]2)C

STK845928
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- (3- hydroxy- 2H- 1,4- benzothiazin- 2- yl)acetamide
Smiles: O=C(CC1Sc2ccccc2N=C1O)Nc1ccc(c(c1)Cl)F

STK559842
Synonyms: 2- chloro- 5- methylphenylP- methyl- N- (4- methylphenyl)phosphonamidate
Smiles: Cc1ccc(cc1)NP(=O)(Oc1cc(C)ccc1Cl)C

STK559847
Synonyms: {2- [4- (4- methoxyphenyl)piperazin- 4- ium- 1- yl]- 2- oxoethoxy}acetate
Smiles: COc1ccc(cc1)[NH+]1CCN(CC1)C(=O)COCC(=O)[O-]

STK559855
Synonyms: N,N',N''- (nitrilotriethane- 2,1- diyl)tris(4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide)
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)NCCN(CCNC(=O)C12CCC(C2(C)C)(C(=O)C1)C)CCNC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STK845933
Synonyms: 4- {[(E)- (9- ethyl- 9H- carbazol- 3- yl)methylidene]amino}- 5- (pyridin- 4- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCn1c2ccc(cc2c2c1cccc2)/C=N/n1c(=S)[nH]nc1c1ccncc1

STK559862
Synonyms: {[7- (2- chlorobenzyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1[nH+]c2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK559864
Synonyms: (E)- [2- (4- methylphenyl)- 1- (6- methylpyridinium- 2- yl)- 4,5- dioxopyrrolidin- 3- ylidene](thiophen- 2- yl)methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1c1cccc([nH+]1)C

STK559871
Synonyms: 7- (4- methoxyphenyl)- 6,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 5(3H)- one
Smiles: COc1ccc(cc1)C1CC(=O)N=c2n1nc[nH]2

STK845937
Synonyms: 1- [(2E)- 5- (2- fluorobenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (3- methoxyphenyl)urea
Smiles: COc1cccc(c1)NC(=O)/N=c/1\[nH]nc(s1)Cc1ccccc1F

STK845939
Synonyms: N- methyl- 5- (3- nitrophenyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: CNC(=S)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK559880
Synonyms: 2- hydroxy- 3'- (4- iodophenyl)- 4'H- spiro[indole- 3,2'- [1,3]thiazolidin]- 4'- one
Smiles: Ic1ccc(cc1)N1C(=O)CSC21C(=Nc1c2cccc1)O

STK559884
Synonyms: 2- (3- {(Z)- [1- (furan- 2- ylmethyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1H- indol- 1- yl)- N- (2- methoxyethyl)acetamide
Smiles: COCCNC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=NC(=O)N(C1=O)Cc1ccco1)O

STK559885
Synonyms: 3- [(4- ethylpiperazin- 1- yl)methyl]- 2,7,8- trimethylquinolin- 4(1H)- one
Smiles: CCN1CCN(CC1)Cc1c(C)[nH]c2c(c1=O)ccc(c2C)C

STK559887
Synonyms: (5Z)- 2- [(3,4- dimethylphenyl)amino]- 5- (1H- indol- 3- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]c2c1cccc2)Nc1ccc(c(c1)C)C

STK559901
Synonyms: 5- {[4,6- dihydroxy- 2- (methylsulfanyl)pyrimidin- 5- yl](pyridin- 2- yl)methyl}- 6- hydroxy- 2- (methylsulfanyl)pyrimidin- 4(1H)- one
Smiles: CSc1nc(O)c(c(n1)O)C(c1c(O)[nH]c(nc1=O)SC)c1ccccn1

STK559906
Synonyms: 3- methyl- 2- [(5Z)- 4- oxo- 5- (pyridinium- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoate
Smiles: CC(C(N1C(=S)S/C(=C\c2ccc[nH+]c2)/C1=O)C(=O)[O-])C

STK845944
Synonyms: 4- (4,5- dihydro- 1,3- thiazol- 3- ium- 2- ylamino)butanoate
Smiles: [O-]C(=O)CCCNC1=[NH+]CCS1

STK845945
Synonyms: 4- (3- bromo- 4- methoxyphenyl)- 1,3- thiazol- 2(3H)- imine
Smiles: COc1ccc(cc1Br)c1csc(=N)[nH]1

STK559907
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (3- methylphenyl)- 3- nitrobenzamide
Smiles: Cc1cccc(c1)N(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1cc2cccc(c2[nH]c1=O)C

STK559916
Synonyms: (2E)- 2- [(2E)- (4- bromobenzylidene)hydrazinylidene]- 3- (4- methoxyphenyl)- 2,3- dihydro- 1H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1/c(=N/N=C/c2ccc(cc2)Br)/[nH]c2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK559925
Synonyms: methyl5- methyl- 7- oxo- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine- 2- carboxylate
Smiles: COC(=O)c1nn2c([nH]1)nc(cc2=O)C

STK559932
Synonyms: 1- (3,4- dimethylphenyl)- 3- [(2Z)- 5- (diphenylmethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]urea
Smiles: O=C(/N=c\1/[nH]nc(s1)C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)C)C

STK559936
Synonyms: 2- (prop- 2- en- 1- yl)- 6- {(E)- [2- (pyridinium- 3- ylcarbonyl)hydrazinylidene]methyl}phenolate
Smiles: C=CCc1cccc(c1[O-])/C=N/NC(=O)c1ccc[nH+]c1

STK559940
Synonyms: 6,6- dimethyl- 3- (4- methylphenyl)- 2- thioxo- 1,2,3,5,6,8- hexahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)c1CC(C)(C)SCc1s2

STK845951
Synonyms: 4- {[(2E)- 6- chloro- 4- phenylquinazolin- 2(3H)- ylidene]amino}- N- (2- hydroxyethyl)benzamide
Smiles: OCCNC(=O)c1ccc(cc1)/N=c\1/nc2ccc(cc2c([nH]1)c1ccccc1)Cl

STK559961
Synonyms: 4- chloro- N- [5- (4- chlorophenyl)- 7- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1nn2c(=NC(=CC2c2ccccc2)c2ccc(cc2)Cl)[nH]1

STK559964
Synonyms: (5Z)- 3- cyclopropyl- 6- hydroxy- 5- (1H- indol- 3- ylmethylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C/c2c[nH]c3c2cccc3)/C(=O)N1C1CC1

STK559966
Synonyms: (5E)- 5- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]methylidene}- 1- (4- ethoxyphenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O)S

STK845956
Synonyms: (4E)- 1- (4,5- dimethyl- 1,3- thiazol- 2- yl)- 5- (4- hydroxy- 3- methoxyphenyl)- 4- [hydroxy(thiophen- 2- yl)methylidene]pyrrolidine- 2,3- dione
Smiles: COc1cc(ccc1O)C1/C(=C(/c2cccs2)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C

STK559971
Synonyms: 5- [(E)- {[(5- bromo- 2- methoxybenzyl)oxy]imino}methyl]- 6- methylpyrimidine- 2,4- diol
Smiles: COc1ccc(cc1CO/N=C/c1c(C)nc(nc1O)O)Br

STK559974
Synonyms: (E)- {2- (4- bromophenyl)- 1- [2- (dimethylammonio)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}(4- butoxy- 3- methylphenyl)methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CC[NH+](C)C)/[O-]

STK559981
Synonyms: 2- {[7- (2- ethoxyethyl)- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl]sulfanyl}acetamide
Smiles: CCOCCn1c(SCC(=O)N)nc2c1c(O)nc(=O)n2C

STK845959
Synonyms: 1- [(2Z)- 5- [(2- fluorophenoxy)methyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (4- fluorophenyl)urea
Smiles: Fc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)COc1ccccc1F

STK559987
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- phenylpyrrolidin- 3- ylidene}(2- methylimidazo[1,2- a]pyridin- 3- yl)methanolate
Smiles: O=C1C(=O)N(C(/C/1=C(/c1c(C)nc2n1cccc2)\[O-])c1ccccc1)CCCn1cc[nH+]c1

STK559991
Synonyms: 2- {[(1- ethyl- 1H- 3,1- benzimidazol- 3- ium- 2- yl)amino]methyl}- 6- methoxyphenolate
Smiles: COc1cccc(c1[O-])CNc1[nH+]c2c(n1CC)cccc2

STK845963
Synonyms: N- ethyl- N- phenyl- N'- (pyridin- 3- ylcarbonyl)carbamimidothioicacid
Smiles: CCN(/C(=N/C(=O)c1cccnc1)/S)c1ccccc1

STK559999
Synonyms: 8- (2,5- dimethyl- 1H- pyrrol- 1- yl)- 2- sulfanylbenzo[g]pteridin- 4- ol
Smiles: Sc1nc2nc3cc(ccc3nc2c(n1)O)n1c(C)ccc1C

STK560002
Synonyms: 3- [(Z)- (5- hydroxy- 2- sulfanyl- 4H- imidazol- 4- ylidene)methyl]- 6- methylquinolin- 2(1H)- one
Smiles: Cc1cc2cc(/C=C/3\N=C(N=C3O)S)c(=O)[nH]c2cc1

STK845966
Synonyms: 5- (4- methoxyphenyl)- 4- {[(E)- (3- methylthiophen- 2- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1sccc1C

STK560009
Synonyms: (5E)- 3- (furan- 2- ylmethyl)- 6- hydroxy- 5- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C\NCCCN2CCOCC2)/C(=O)N1Cc1ccco1

STK845969
Synonyms: 5- (4- chlorophenyl)- 7- (3- methoxyphenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1cccc(c1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)Cl

STK560025
Synonyms: (1Z)- 1- [(2E)- butan- 2- ylidenehydrazinylidene]- 4- chloro- 1,2- dihydrophthalazine
Smiles: CC/C(=N/N=c/1\[nH]nc(c2c1cccc2)Cl)/C

STK560029
Synonyms: (E)- (4- chlorophenyl){2- (4- ethylphenyl)- 1- [2- (morpholin- 4- ium- 4- yl)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: CCc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

STK560031
Synonyms: [4- (4- methylphenyl)- 1- oxophthalazin- 3- ium- 2(1H)- yl]acetate
Smiles: [O-]C(=O)Cn1[nH+]c(c2ccc(cc2)C)c2c(c1=O)cccc2

STK560033
Synonyms: 2- {(E)- [2- (3,4- dihydroquinolinium- 1(2H)- ylacetyl)hydrazinylidene]methyl}- 5- hydroxyphenolate
Smiles: O=C(C[NH+]1CCCc2c1cccc2)N/N=C/c1ccc(cc1[O-])O

STK560035
Synonyms: 2- [(5- ethyl- 6- hydroxy- 4- oxo- 1- phenyl- 1,4- dihydropyrimidin- 2- yl)sulfanyl]- N- phenylacetamide
Smiles: CCc1c(=O)nc(n(c1O)c1ccccc1)SCC(=O)Nc1ccccc1

STK560038
Synonyms: (2Z)- 2- [(2E)- {[1- (4- fluorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}hydrazinylidene]- 2,3- dihydro- 1,3- benzothiazole
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=N/N=c/1\sc2c([nH]1)cccc2

STK560040
Synonyms: 3- [2- (3,4- dimethoxyphenyl)ethyl]- 5- (4- ethoxybenzyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1ccc(cc1)CC1C(=NC(=O)N(C1=O)CCc1ccc(c(c1)OC)OC)O

STK560042
Synonyms: 4- hydroxy- 5- (morpholin- 4- yl)pyrimidin- 2(1H)- one
Smiles: Oc1nc(=O)[nH]cc1N1CCOCC1

STK845974
Synonyms: 1- benzyl- 4- hydroxy- N- [(2E)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: Cc1n[nH]/c(=N\C(=O)c2c(O)c3ccccc3n(c2=O)Cc2ccccc2)/s1

STK560048
Synonyms: (5E)- 5- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]methylidene}- 1- (3- methylphenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O)S

STK560049
Synonyms: 7- [3- (4- bromophenoxy)- 2- hydroxypropyl]- 6- hydroxy- 3- methyl- 8- (methylsulfanyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CSc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(O)nc(=O)n2C

STK845977
Synonyms: 3- (2- imino- 2,3- dihydro- 1,3- thiazol- 4- yl)- 2H- chromen- 2- one
Smiles: O=c1oc2ccccc2cc1c1csc(=N)[nH]1

STK845978
Synonyms: (2E)- N- (2,4- difluorophenyl)- 2- [(4- methylphenyl)imino]- 4- oxo- 1,3- thiazinane- 6- carboxamide
Smiles: O=C1N/C(=N\c2ccc(cc2)C)/SC(C1)C(=O)Nc1ccc(cc1F)F

STK560080
Synonyms: (5Z)- 3- (furan- 2- ylmethyl)- 6- hydroxy- 5- ({1- [2- (morpholin- 4- yl)- 2- oxoethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C/c2cn(c3c2cccc3)CC(=O)N2CCOCC2)/C(=O)N1Cc1ccco1

STK560081
Synonyms: (5Z)- 2- [(4- bromophenyl)amino]- 5- (4- ethoxy- 3- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Br

STK845984
Synonyms: N- [(3Z)- 1- acetyl- 4- thia- 1,2- diazaspiro[4.4]non- 3- ylidene]acetamide
Smiles: CC(=O)/N=C\1/NN(C2(S1)CCCC2)C(=O)C

STK845985
Synonyms: 6- [(4- oxo- 4H- 1,3- benzothiazin- 2- yl)amino]- 1,3,5- triazine- 2,4(1H,3H)- dione
Smiles: O=c1nc(Nc2nc(=O)c3c(s2)cccc3)[nH]c(=O)[nH]1

STK560108
Synonyms: (5Z)- 5- ({[4- (diethylamino)phenyl]amino}methylidene)- 6- hydroxy- 2- sulfanylpyrimidin- 4(5H)- one
Smiles: CCN(c1ccc(cc1)N/C=C\1/C(=NC(=NC1=O)S)O)CC

STK560111
Synonyms: 1- (2- {6- [(E)- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)methyl]- 7- methoxy- 1,3- benzodioxol- 5- yl}ethyl)- 1,3- dimethylthiourea
Smiles: CNC(=S)N(CCc1cc2OCOc2c(c1/C=C/1\C(=NC(=NC1=O)O)O)OC)C

STK845993
Synonyms: 2- {(E)- [(2Z)- [1,2,4]triazolo[3,4- a]phthalazin- 6(5H)- ylidenehydrazinylidene]methyl}phenol
Smiles: Oc1ccccc1/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2

STK560115
Synonyms: (E)- {1- [3- (dimethylammonio)propyl]- 4,5- dioxo- 2- (pyridin- 3- yl)pyrrolidin- 3- ylidene}(thiophen- 2- yl)methanolate
Smiles: C[NH+](CCCN1C(c2cccnc2)/C(=C(/c2cccs2)\[O-])/C(=O)C1=O)C

STK560122
Synonyms: (4Z)- 4- {[8- methyl- 2- (piperidin- 1- yl)quinolin- 3- yl]methylidene}- 2- sulfanyl- 4H- imidazol- 5- ol
Smiles: OC1=NC(=N/C/1=C\c1cc2cccc(c2nc1N1CCCCC1)C)S

STK845998
Synonyms: 6- benzyl- 3- sulfanyl- 1,2,4- triazin- 5- ol
Smiles: Sc1nnc(c(n1)O)Cc1ccccc1

STK845999
Synonyms: N- {(E)- amino[(2Z)- 1,3- benzothiazol- 2(3H)- ylideneamino]methylidene}- 3,5- dimethoxybenzamide
Smiles: COc1cc(OC)cc(c1)C(=O)/N=C(/N=c/1\sc2c([nH]1)cccc2)\N

STK846001
Synonyms: (2Z)- N- (4- fluorophenyl)- 2- [(4- methylphenyl)imino]- 4- oxo- 1,3- thiazinane- 6- carboxamide
Smiles: O=C1N/C(=N/c2ccc(cc2)C)/SC(C1)C(=O)Nc1ccc(cc1)F

STK560133
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- (thiophen- 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(C1c1cccs1)CCCn1c[nH+]cc1)/[O-]

STK560135
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (3- methylphenyl)pyridine- 3- carboxamide
Smiles: Cc1cccc(c1)N(C(=O)c1cccnc1)Cc1cc2cccc(c2[nH]c1=O)C

STK846002
Synonyms: (3Z)- 3- [(2Z)- 4- hydroxy- 2- {[3- (trifluoromethyl)phenyl]imino}- 1,3- thiazol- 5(2H)- ylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: OC1=N/C(=N/c2cccc(c2)C(F)(F)F)/S/C/1=C/1\C(=O)Nc2c1cccc2

STK846003
Synonyms: 1- [(2E)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (2,4- dichlorophenyl)urea
Smiles: Clc1ccc(c(c1)Cl)NC(=O)/N=c/1\[nH]nc(s1)C1CCCCC1

STK846004
Synonyms: N- [N'- (4,6- dimethylpyrimidin- 2- yl)- N- (2- propoxyphenyl)carbamimidoyl]- 2- (4- methoxyphenoxy)acetamide
Smiles: CCCOc1ccccc1N/C(=N/c1nc(C)cc(n1)C)/NC(=O)COc1ccc(cc1)OC

STK560144
Synonyms: 2- hydroxy- 1- methyl- 4- oxo- N- (pyrazin- 2- yl)- 1,4- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)n(C)c2c(c1=O)cccc2)Nc1cnccn1

STK846005
Synonyms: 1- (2- fluorophenyl)- 3- [(2Z)- 5- (3- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]urea
Smiles: COc1cccc(c1)c1n[nH]/c(=N/C(=O)Nc2ccccc2F)/s1

STK560155
Synonyms: (E)- {1- [2- (diethylammonio)ethyl]- 2- (3,4- dimethoxyphenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(thiophen- 2- yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccc(c(c1)OC)OC)CC

STK846006
Synonyms: 3- methyl- 5- {[4- (3- methylbutoxy)benzyl]sulfanyl}- 1H- 1,2,4- triazole
Smiles: CC(CCOc1ccc(cc1)CSc1[nH]nc(n1)C)C

STK560156
Synonyms: 2- (diethylamino)ethyl4- {[(Z)- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)methyl]amino}benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)N/C=C\1/C(=NC(=NC1=O)O)O)CC

STK846007
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- propylpyridine- 3- carboxamide
Smiles: CCCN(C(=O)c1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O

STK560158
Synonyms: 7- chloro- 5- phenyl- 3H- 1,4- benzodiazepin- 2- ol
Smiles: Clc1ccc2c(c1)C(=NCC(=N2)O)c1ccccc1

STK560161
Synonyms: 1- (1,3- benzothiazol- 2- yl)- 3- {[(4- chlorophenyl)sulfanyl]methyl}- 4- {(E)- [(furan- 2- ylmethyl)imino]methyl}- 1H- pyrazol- 5- ol
Smiles: Clc1ccc(cc1)SCc1nn(c(c1/C=N/Cc1ccco1)O)c1nc2c(s1)cccc2

STK560173
Synonyms: 1- (2- {[(2E)- 6- ethoxy- 4- methylquinazolin- 2(1H)- ylidene]amino}- 4- methylpyrimidin- 5- yl)ethanone
Smiles: CCOc1ccc2c(c1)c(C)n/c(=N/c1ncc(c(n1)C)C(=O)C)/[nH]2

STK560175
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (3- methylphenyl)cyclohexanecarboxamide
Smiles: Cc1cccc(c1)N(C(=O)C1CCCCC1)Cc1cc2cc(C)ccc2[nH]c1=O

STK560185
Synonyms: 2- [(5- ethyl- 4- methyl- 6- oxo- 1,6- dihydropyrimidin- 2- yl)sulfanyl]- N'- [(4- methoxyphenyl)acetyl]acetohydrazide
Smiles: CCc1c(C)nc([nH]c1=O)SCC(=O)NNC(=O)Cc1ccc(cc1)OC

STK560190
Synonyms: 7- (3,4- dimethoxyphenyl)- 5- (4- methoxyphenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1ccc(c(c1)OC)OC

STK846015
Synonyms: {(4Z)- 6- amino- 4- [(4- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- yl}methylmorpholine- 4- carbodithioate
Smiles: COc1ccc(cc1)/N=c/1\nc(CSC(=S)N2CCOCC2)nc([nH]1)N

STK560194
Synonyms: 3- phenyl- 1H- pyrazol- 2- ium- 5- carboxylate
Smiles: [O-]C(=O)c1cc([nH+][nH]1)c1ccccc1

STK846017
Synonyms: 2- {[(5E)- 5- (phenylimino)- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1n[nH]/c(=N\c2ccccc2)/s1

STK560205
Synonyms: 7- (4- {[(4- bromophenyl)carbonyl]carbamothioyl}piperazin- 1- ium- 1- yl)- 1- ethyl- 6- fluoro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylate
Smiles: CCn1cc(C(=O)[O-])c(=O)c2c1cc(c(c2)F)[NH+]1CCN(CC1)C(=S)NC(=O)c1ccc(cc1)Br

STK560219
Synonyms: (5Z)- 5- {[6- methyl- 2- (morpholin- 4- yl)quinolin- 3- yl]methylidene}- 2- sulfanyl- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1cc2cc(C)ccc2nc1N1CCOCC1)S

STK846027
Synonyms: (4E)- 5- (2- fluorophenyl)- 4- [hydroxy(phenyl)methylidene]- 1- (2- methoxyethyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1F

STK560231
Synonyms: 3- ({(E)- [3- methyl- 1- (4- methylphenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazol- 4- yl]methylidene}amino)- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/C1C(=NN(C1=O)c1ccc(cc1)C)C

STK560232
Synonyms: 6- hydroxy- 3- methyl- 8- (3- methylpiperidin- 1- yl)- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: C=CCn1c(nc2c1c(O)nc(=O)n2C)N1CCCC(C1)C

STK560243
Synonyms: 5- ethyl- 2- [(2- hydroxyethyl)amino]- 5- methyl- 5,6- dihydrobenzo[h]quinazolin- 4- ol
Smiles: OCCNc1nc(O)c2c(n1)c1ccccc1CC2(C)CC

STK560245
Synonyms: 3- methyl- N- [(4Z)- 1- methyl- 1,7- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- ylidene]aniline
Smiles: Cc1cccc(c1)/N=c/1\nc[nH]c2c1cnn2C

STK560248
Synonyms: 4- {(E)- [2- (1,3- benzothiazol- 3- ium- 2- yl)hydrazinylidene]methyl}- 2- hydroxyphenolate
Smiles: [O-]c1ccc(cc1O)/C=N/Nc1sc2c([nH+]1)cccc2

STK560253
Synonyms: (4E)- 1- butyl- 5- (2,4- dimethoxyphenyl)- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1OC)OC

STK560259
Synonyms: 5- [4- (6- methyl- 4- phenylquinazolin- 2- yl)piperazin- 4- ium- 1- yl]- 5- oxopentanoate
Smiles: [O-]C(=O)CCCC(=O)N1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1)C

STK560266
Synonyms: 5- (4- chlorophenyl)- 5- ethyl- 2- (4- methylphenyl)- 2,5- dihydro- 1H- 1,2,4- triazole- 3- thiol
Smiles: CCC1(NN(C(=N1)S)c1ccc(cc1)C)c1ccc(cc1)Cl

STK846032
Synonyms: N- (7- oxo- 5- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)furan- 2- carboxamide
Smiles: O=C(c1ccco1)Nc1nn2c([nH]1)nc(cc2=O)c1ccccc1

STK560274
Synonyms: (E)- [2- (4- hydroxy- 3- methoxyphenyl)- 4,5- dioxo- 1- (pyridinium- 2- yl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1cccc[nH+]1

STK560276
Synonyms: 2- [(5Z)- 4- oxo- 5- (pyridinium- 4- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoate
Smiles: CC(N1C(=S)S/C(=C\c2cc[nH+]cc2)/C1=O)C(=O)[O-]

STK846033
Synonyms: (4- {[(1E)- 4- methylphthalazin- 1(2H)- ylidene]amino}phenyl)(piperidin- 1- yl)methanone
Smiles: O=C(c1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)C)N1CCCCC1

STK560281
Synonyms: 4- (4- chlorophenyl)- 7,7- dimethyl- 5- oxo- 2- sulfanyl- 5,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#Cc1c(S)nc2c(c1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C

STK560285
Synonyms: (E)- [2- (4- methylphenyl)- 4,5- dioxo- 1- (pyridinium- 2- yl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1cccc[nH+]1

STK560286
Synonyms: (E)- (2,8- dimethylimidazo[1,2- a]pyridin- 3- yl){1- [2- (morpholin- 4- ium- 4- yl)ethyl]- 4,5- dioxo- 2- phenylpyrrolidin- 3- ylidene}methanolate
Smiles: O=C1C(=O)N(C(/C/1=C(/c1c(C)nc2n1cccc2C)\[O-])c1ccccc1)CC[NH+]1CCOCC1

STK560289
Synonyms: (5E)- 1- (4- fluorophenyl)- 2- hydroxy- 5- (4- methoxybenzylidene)pyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)F)O

STK560296
Synonyms: (5Z)- 5- [(morpholin- 4- ylamino)methylidene]- 1- phenyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\NN1CCOCC1)c1ccccc1

STK560306
Synonyms: 7- benzyl- 6- hydroxy- 3- methyl- 8- (2- methylpiperidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC1CCCCN1c1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

STK560310
Synonyms: 1,1- dicyclohexyl- 2- (4,6- dimethylpyrimidin- 2- yl)guanidine
Smiles: N/C(=N\c1nc(C)cc(n1)C)/N(C1CCCCC1)C1CCCCC1

STK846038
Synonyms: 4- {[(E)- (3,4- dichlorophenyl)methylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccc(cc1Cl)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK560316
Synonyms: 3- {(3E)- 2- (4- chlorophenyl)- 3- [hydroxy(4- methylphenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}benzoicacid
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O

STK846039
Synonyms: 6- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 2- {[(2Z)- 6- ethyl- 4- methylquinazolin- 2(3H)- ylidene]amino}pyrimidin- 4(1H)- one
Smiles: CCc1ccc2c(c1)c(C)[nH]/c(=N/c1nc(=O)cc([nH]1)CSc1nc3c(s1)cccc3)/n2

STK560317
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- (pyridin- 3- yl)pyrrolidin- 3- ylidene}(4- propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCCn1c[nH+]cc1)/[O-]

STK560319
Synonyms: (1Z,3E)- 3- [(2- bromo- 4- nitrophenyl)imino]- 1- (2,4- dimethoxyphenyl)prop- 1- en- 1- ol
Smiles: COc1ccc(c(c1)OC)/C(=C/C=N/c1ccc(cc1Br)[N+](=O)[O-])/O

STK560320
Synonyms: 4- [(E)- {[4- (9H- fluoren- 9- yl)piperazin- 4- ium- 1- yl]imino}methyl]- 3- hydroxyphenolate
Smiles: [O-]c1ccc(c(c1)O)/C=N/N1CC[NH+](CC1)C1c2ccccc2c2c1cccc2

STK846043
Synonyms: 2- {[3- cyano- 4- (2,4- dichlorophenyl)- 6- hydroxy- 4,5- dihydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)N=C(CC1c1ccc(cc1Cl)Cl)O

STK560333
Synonyms: 4- [6- bromo- 3- (2- methoxy- 2- oxoethyl)- 4- phenyl- 1,2,3,4- tetrahydroquinazolin- 3- ium- 2- yl]phenolate
Smiles: COC(=O)C[NH+]1C(Nc2c(C1c1ccccc1)cc(cc2)Br)c1ccc(cc1)[O-]

STK560342
Synonyms: (5E)- 5- ({[3- (dimethylamino)propyl]amino}methylidene)- 1- (4- fluorobenzyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CN(CCCN/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S)C

STK560345
Synonyms: 2- {[(1- methyl- 1H- 3,1- benzimidazol- 3- ium- 2- yl)amino]methyl}phenolate
Smiles: [O-]c1ccccc1CNc1[nH+]c2c(n1C)cccc2

STK560346
Synonyms: (5Z)- 3- butyl- 5- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C/Nc2c(C)n(n(c2=O)c2ccccc2)C)/C1=O)O

STK560352
Synonyms: 1- ethyl- 3- sulfanyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: CCc1nc(S)c(c2c1CCCC2)C#N

STK560354
Synonyms: 6- (4- hydroxyphenyl)- 2- sulfanylpyrimidin- 4- ol
Smiles: Oc1ccc(cc1)c1cc(O)nc(n1)S

STK560355
Synonyms: ethyl4- (4- hydroxy- 2- oxopyrimido[4,5- b]quinolin- 10(2H)- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c2ccccc2cc2c1nc(=O)nc2O

STK560371
Synonyms: {[5- cyano- 3,3- dimethyl- 8- (pyrrolidinium- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridin- 6- yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)[O-])nc(c2c1CC(C)(C)OC2)[NH+]1CCCC1

STK560378
Synonyms: N- ({2- [(6- oxo- 1,6- dihydropyridazin- 3- yl)carbonyl]hydrazinyl}carbonothioyl)- 1,3- benzodioxole- 5- carboxamide
Smiles: S=C(NC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1ccc(=O)[nH]n1

STK560380
Synonyms: (5Z)- 1- acetyl- 5- [(2- hydroxy- 7- methylquinolin- 3- yl)methylidene]- 2- sulfanyl- 1,5- dihydro- 4H- imidazol- 4- one
Smiles: Cc1ccc2c(c1)nc(c(c2)/C=C\1/C(=O)N=C(N1C(=O)C)S)O

STK560381
Synonyms: 2- {[(1- ethyl- 1H- 3,1- benzimidazol- 3- ium- 2- yl)amino]methyl}phenolate
Smiles: CCn1c(NCc2ccccc2[O-])[nH+]c2c1cccc2

STK560384
Synonyms: 2- (4- hydroxy- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 7- ium- 2- yl)- 4- methylphenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1cc(C)ccc1[O-])O

STK560391
Synonyms: 6- hydroxy- 7- (2- methoxyethyl)- 3- methyl- 8- {[2- (morpholin- 4- yl)ethyl]sulfanyl}- 3,7- dihydro- 2H- purin- 2- one
Smiles: COCCn1c(SCCN2CCOCC2)nc2c1c(O)nc(=O)n2C

STK560399
Synonyms: (5E)- 3- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 5- [(4- methoxyphenyl)imino]- 5H- anthra[1,9- cd][1,2]oxazol- 6- ol
Smiles: COc1ccc(cc1)/N=C/1\C=C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c3c1c(O)c1ccccc1c3on2

STK560401
Synonyms: (E)- [1- (1,3- benzothiazol- 3- ium- 2- yl)- 4,5- dioxo- 2- phenylpyrrolidin- 3- ylidene](4- methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1sc2c([nH+]1)cccc2)/[O-]

STK560419
Synonyms: 4- (4- fluorophenyl)- 1- imino- 6,7- dimethyl- 6,7- dihydro- 3,6- epoxypyrano[3,4- c]pyrrole- 3a,7a(1H,4H)- dicarbonitrile
Smiles: N#CC12C3=NC(=N)C2(C#N)C(C(O3)(OC1c1ccc(cc1)F)C)C

STK560424
Synonyms: 2- methoxy- 4- [(Z)- {2- [4- (2- methylphenyl)piperazin- 4- ium- 1- yl]- 4- oxo- 1,3- thiazol- 5(4H)- ylidene}methyl]phenolate
Smiles: COc1cc(ccc1[O-])/C=C/1\SC(=NC1=O)N1CC[NH+](CC1)c1ccccc1C

STK560426
Synonyms: 4- [({[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}acetyl)amino]benzoate
Smiles: O=C(Nc1ccc(cc1)C(=O)[O-])CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccncc1

STK560428
Synonyms: 5- sulfanyl- 1,3,4- thiadiazole- 2(3H)- thione
Smiles: Sc1n[nH]c(=S)s1

STK560433
Synonyms: N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (propan- 2- yl)thiophene- 2- carboxamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1cccs1)C(C)C

STK560434
Synonyms: (5Z)- 2- [(2,4- dimethylphenyl)amino]- 5- (1H- indol- 3- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Cc1ccc(c(c1)C)NC1=NC(=O)/C(=C/c2c[nH]c3c2cccc3)/S1

STK846055
Synonyms: ethyl(4- chloro- 2- hydroxyquinolin- 3- yl)acetate
Smiles: CCOC(=O)Cc1c(O)nc2c(c1Cl)cccc2

STK846056
Synonyms: N- [(2Z)- 5- oxo- 7- phenyl- 5,6,7,8- tetrahydroquinazolin- 2(1H)- ylidene]- 2- {[5- phenyl- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)/N=c/2\ncc3c([nH]2)CC(CC3=O)c2ccccc2)nnc1c1ccccc1

STK560443
Synonyms: 4- [(1E)- 1- {2- [(4- benzylpiperazin- 1- ium- 1- yl)acetyl]hydrazinylidene}ethyl]phenolate
Smiles: O=C(C[NH+]1CCN(CC1)Cc1ccccc1)N/N=C(/c1ccc(cc1)[O-])\C

STK560444
Synonyms: (5Z)- 1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 5- [(1- methyl- 1H- pyrrol- 2- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: SC1=NC(=O)/C(=C/c2cccn2C)/C(=O)N1CCC1=CCCCC1

STK560447
Synonyms: 3- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 2- oxo- 2H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(=O)c(c2)c1scc(n1)c1ccc(cc1)Br

STK560450
Synonyms: ethylN- ({5- [(4Z)- 4- (1,3- benzodioxol- 5- ylimino)- 3,4- dihydrophthalazin- 1- yl]- 2- methylphenyl}sulfonyl)glycinate
Smiles: CCOC(=O)CNS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N\c2ccc3c(c2)OCO3)/c2c1cccc2

STK560451
Synonyms: (E)- {4,5- dioxo- 2- [4- (propan- 2- yloxy)phenyl]- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene}(furan- 2- yl)methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)C

STK560465
Synonyms: 4- [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (4- fluorophenyl)- 4,5- dioxopyrrolidin- 1- yl]butanoicacid
Smiles: OC(=O)CCCN1C(c2ccc(cc2)F)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O

STK846062
Synonyms: 3- {(2E)- 2- [(2- chlorophenyl)imino]- 2,3- dihydro- 1,3- thiazol- 4- yl}- 3- methyl- 8- [(2- methylpropoxy)methyl]- 2,7- dioxaspiro[4.4]nonane- 1,6- dione
Smiles: CC(COCC1OC(=O)C2(C1)CC(OC2=O)(C)c1cs/c(=N/c2ccccc2Cl)/[nH]1)C

STK846064
Synonyms: 1- (1,3- benzothiazol- 2- yl)- 5- (4- methylphenyl)- 1,2- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1)c1nc(=S)[nH]n1c1nc2c(s1)cccc2

STK846065
Synonyms: 4- [4- (1,3- benzothiazol- 2- yl)- 3- methyl- 1H- pyrazol- 5- yl]benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)c1[nH]nc(c1c1nc2c(s1)cccc2)C

STK560478
Synonyms: (E)- {1- (3- carboxypropyl)- 2- [4- (dimethylammonio)phenyl]- 4,5- dioxopyrrolidin- 3- ylidene}(4- methylphenyl)methanolate
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/[O-])/C1c1ccc(cc1)[NH+](C)C

STK560496
Synonyms: 4- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- 5- (pyridin- 4- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1ccncc1

STK560498
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- bromo- 4- [(4- chlorobenzyl)oxy]- 5- methoxyphenyl}methylidene]- 5- [(4- methylpiperazin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCN(CC2)C)c2nonc2N)cc(c1OCc1ccc(cc1)Cl)Br

STK560509
Synonyms: 3- [(5Z)- 5- {[2- (dipropylammonio)- 4- oxo- 4H- pyrido[1,2- a]pyrimidin- 3- yl]methylidene}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoate
Smiles: CCC[NH+](c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(=O)[O-])CCC

STK560518
Synonyms: 1- cycloheptyl- 4- (4- fluorophenyl)- 7- hydroxy- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: OC1=Nc2n([nH]c(=O)c2C(SC1)c1ccc(cc1)F)C1CCCCCC1

STK560522
Synonyms: 5- phenyl- 3H- 1,4- benzodiazepine- 2,3- diol
Smiles: OC1=Nc2ccccc2C(=NC1O)c1ccccc1

STK560533
Synonyms: 4- (2,4- dichlorophenyl)- 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- methyl- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7- ol
Smiles: Clc1ccc(c(c1)Cl)C1SCC(=Nc2c1c(C)nn2C1CCOC(C1)(C)C)O

STK846076
Synonyms: (2Z)- 6- benzyl- 2- (1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: CCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(c(=O)n3)Cc2ccccc2)/C1=O

STK560546
Synonyms: (5Z)- 5- (ethoxymethylidene)- 6- hydroxy- 2- [(4- methylquinazolin- 2- yl)amino]pyrimidin- 4(5H)- one
Smiles: CCO/C=C\1/C(=NC(=NC1=O)Nc1nc(C)c2c(n1)cccc2)O

STK560549
Synonyms: 4- {4- [6- bromo- 4- (2- chlorophenyl)quinazolin- 2- yl]piperazin- 4- ium- 1- yl}- 4- oxobutanoate
Smiles: [O-]C(=O)CCC(=O)N1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1Cl)Br

STK560565
Synonyms: 2- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}- 4- bromophenylbenzoate
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N)OC(=O)c1ccccc1

STK560570
Synonyms: 4- ({[4- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}acetyl)- 2- hydroxyphenolate
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)[O-])[nH+]nc1c1ccncc1

STK560574
Synonyms: 2- {[(2E)- 6- methyl- 4,5,6,7- tetrahydro- 1,3- benzothiazol- 2(3H)- ylidene]amino}- 2- oxoethylcyclohexyl(methyl)carbamodithioate
Smiles: CC1CCc2c(C1)s/c(=N/C(=O)CSC(=S)N(C1CCCCC1)C)/[nH]2

STK560577
Synonyms: 6- [(dimethylammonio)methyl]- 4- ethyl- 7- methyl- 2- oxo- 2H- chromen- 5- olate
Smiles: CCc1cc(=O)oc2c1c([O-])c(c(c2)C)C[NH+](C)C

STK560585
Synonyms: 6- [(2- butanoyl- 3- oxocyclohex- 1- en- 1- yl)ammonio]hexanoate
Smiles: CCCC(=O)C1=C(CCCC1=O)[NH2+]CCCCCC(=O)[O-]

STK846086
Synonyms: 7- (3,4- dimethoxyphenyl)- 5- (4- methylphenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1cc(ccc1OC)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)C

STK560591
Synonyms: 3- chloro- N- [(2E)- 6- (4- chlorophenyl)- 4- (trifluoromethyl)pyrimidin- 2(1H)- ylidene]aniline
Smiles: Clc1ccc(cc1)c1[nH]/c(=N\c2cccc(c2)Cl)/nc(c1)C(F)(F)F

STK560594
Synonyms: 3- {(3E)- 3- [hydroxy(phenyl)methylidene]- 4,5- dioxo- 2- phenylpyrrolidin- 1- yl}benzoicacid
Smiles: OC(=O)c1cccc(c1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1

STK560598
Synonyms: 4- {(3E)- 2- (4- chlorophenyl)- 3- [hydroxy(phenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)Cl

STK560601
Synonyms: (E)- {2- (4- chlorophenyl)- 1- [2- (dimethylammonio)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}(4- methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC[NH+](C)C)/[O-]

STK560603
Synonyms: (5Z)- 5- [(2- hydroxyquinolin- 3- yl)methylidene]- 3- methyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2cc3ccccc3nc2O)/C(=O)N1C

STK560622
Synonyms: 1- imino- 4,6- dimethyl- 7- phenyl- 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

STK560627
Synonyms: (4E)- 4- [hydroxy(4- methylphenyl)methylidene]- 1- (2- methoxyethyl)- 5- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)OC

STK560628
Synonyms: (E)- (3- chloro- 4- ethoxyphenyl)[4,5- dioxo- 2- phenyl- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene]methanolate
Smiles: CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]c1)/[O-]

STK560633
Synonyms: 2- chloro- N- (4- hydroxy- 2- oxo- 1,2- dihydropyrimidin- 5- yl)acetamide
Smiles: Oc1nc(=O)[nH]cc1NC(=O)CCl

STK560637
Synonyms: 3- {(3E)- 2- (2- chlorophenyl)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 4,5- dioxopyrrolidin- 1- yl}propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1Cl

STK846095
Synonyms: 4- [3- (4- carbamoylpiperidinium- 1- yl)- 2,5- dioxopyrrolidin- 1- yl]benzoate
Smiles: NC(=O)C1CC[NH+](CC1)C1CC(=O)N(C1=O)c1ccc(cc1)C(=O)[O-]

STK560639
Synonyms: 3- [(2E)- 2- {(2E)- [1- (4- chlorophenyl)ethylidene]hydrazinylidene}- 2,3- dihydro- 1,3- thiazol- 4- yl]- 8- methoxy- 2H- chromen- 2- one
Smiles: COc1cccc2c1oc(=O)c(c2)c1cs/c(=N/N=C(/c2ccc(cc2)Cl)\C)/[nH]1

STK846096
Synonyms: 6- [4- (dimethylamino)phenyl]- 4- methyl- N- phenyl- 2- sulfanyl- 1,6- dihydropyrimidine- 5- carboxamide
Smiles: CN(c1ccc(cc1)C1NC(=NC(=C1C(=O)Nc1ccccc1)C)S)C

STK560641
Synonyms: (2Z)- 4- hydroxy- 2- [(2- methoxyphenyl)imino]- 3- (morpholin- 4- yl)naphthalen- 1(2H)- one
Smiles: COc1ccccc1/N=C\1/C(=C(O)c2c(C1=O)cccc2)N1CCOCC1

STK560688
Synonyms: (4E)- 5- (3- fluorophenyl)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- (6- methoxy- 1,3- benzothiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)F)/C(=C(/c2ccco2)\O)/C(=O)C1=O

STK560695
Synonyms: (E)- [2- (3- chlorophenyl)- 4,5- dioxo- 1- (pyrimidin- 1- ium- 2- yl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: Clc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1nccc[nH+]1

STK560706
Synonyms: 3- {(5E)- 5- [4- (diethylammonio)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}propanoate
Smiles: CC[NH+](c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CCC(=O)[O-])CC

STK560709
Synonyms: (E)- [2- (3- chlorophenyl)- 4,5- dioxo- 1- (pyrimidin- 1- ium- 2- yl)pyrrolidin- 3- ylidene](5- methylfuran- 2- yl)methanolate
Smiles: Clc1cccc(c1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1c1nccc[nH+]1

STK846105
Synonyms: 4- [2- chloro- 5- (trifluoromethyl)phenyl]- 5- [(1R,2R)- 2- phenylcyclopropyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1cc(ccc1Cl)C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1

STK560712
Synonyms: N- (2,3- dichlorophenyl)- 1- ethyl- 2- hydroxy- 4- oxo- 1,4- dihydroquinoline- 3- carboxamide
Smiles: CCn1c(O)c(C(=O)Nc2cccc(c2Cl)Cl)c(=O)c2c1cccc2

STK560713
Synonyms: (E)- {2- (4- ethoxyphenyl)- 1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK846109
Synonyms: N'- (benzo[cd]indol- 2- yl)- 2- (3,4- dimethoxyphenyl)acetohydrazide
Smiles: COc1cc(ccc1OC)CC(=O)NNC1=Nc2c3c1cccc3ccc2

STK846110
Synonyms: 7- benzyl- 2- (piperidin- 1- yl)- 7H- purin- 6- ol
Smiles: Oc1nc(nc2c1n(cn2)Cc1ccccc1)N1CCCCC1

STK560731
Synonyms: (E)- (5- methyl- 1- phenyl- 1H- pyrazol- 4- yl){1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxo- 2- phenylpyrrolidin- 3- ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccccc1

STK560738
Synonyms: (E)- {2- (3- bromophenyl)- 1- [2- (dimethylammonio)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}[5- (ethoxycarbonyl)- 2,4- dimethyl- 1H- pyrrol- 3- yl]methanolate
Smiles: CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CC[NH+](C)C)/[O-])C

STK560742
Synonyms: {[7- (2- ethoxyethyl)- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl]sulfanyl}aceticacid
Smiles: CCOCCn1c(SCC(=O)O)nc2c1c(O)nc(=O)n2C

STK846113
Synonyms: 2- {[(2Z)- 6- ethoxy- 4- methylquinazolin- 2(3H)- ylidene]amino}- 5- ethyl- 6- methylpyrimidin- 4(1H)- one
Smiles: CCOc1ccc2c(c1)c(C)[nH]/c(=N/c1[nH]c(C)c(c(=O)n1)CC)/n2

STK846114
Synonyms: N- (4- chloro- 2,5- dimethoxyphenyl)- 2- (3- hydroxy- 2H- 1,4- benzothiazin- 2- yl)acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CC1Sc2ccccc2N=C1O)OC

STK846116
Synonyms: N- butyl- 2,4- dihydroxy- 5,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: CCCCNC(=O)c1c(O)nc2c(c1O)CCCC2

STK560752
Synonyms: 1- [(2E)- 6- methyl- 4- oxo- 3,4- dihydropyrimidin- 2(1H)- ylidene]- 2- naphthalen- 1- ylguanidine
Smiles: N/C(=N\c1cccc2c1cccc2)/N=c/1\[nH]c(C)cc(=O)[nH]1

STK560753
Synonyms: (2E,5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 2- [(4- hydroxyphenyl)imino]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: CCOc1cc(ccc1O)/C=C/1\S/C(=N/c2ccc(cc2)O)/N=C1O

STK560755
Synonyms: 2- (2,4- dimethylphenyl)- 1- [(2Z)- 6- methyl- 4- oxo- 3,4- dihydropyrimidin- 2(1H)- ylidene]guanidine
Smiles: Cc1ccc(c(c1)C)/N=C(/N=c\1/[nH]c(C)cc(=O)[nH]1)\N

STK560756
Synonyms: 6- hydroxy- 8- [(2- hydroxyethyl)(methyl)amino]- 3- methyl- 7- (3- methylbenzyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCN(c1nc2c(n1Cc1cccc(c1)C)c(O)nc(=O)n2C)C

STK560777
Synonyms: 3- [(6- hydroxypyridazin- 3- yl)oxy]hexane- 2,4- dione
Smiles: CCC(=O)C(C(=O)C)Oc1ccc(nn1)O

STK560784
Synonyms: 7- bromo- 2- hydroxy- 5- phenyl- 3H- 1,4- benzodiazepin- 3- ylacetate
Smiles: CC(=O)OC1N=C(c2ccccc2)c2c(N=C1O)ccc(c2)Br

STK846122
Synonyms: 4- {[(1E,2E)- 3- (2- methoxyphenyl)prop- 2- en- 1- ylidene]amino}- 5- (pyridin- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1/C=C/C=N/n1c(=S)[nH]nc1c1cccnc1

STK560789
Synonyms: 4- {4- methyl- 3- [(4- methylpiperazin- 1- yl)sulfonyl]phenyl}phthalazin- 1- ol
Smiles: CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)O

STK846129
Synonyms: 3- [(2E)- 2- (2- phenylhydrazinylidene)- 2,3- dihydro- 1,3- thiazol- 4- yl]- 2H- chromen- 2- one
Smiles: O=c1oc2ccccc2cc1c1cs/c(=N/Nc2ccccc2)/[nH]1

STK560808
Synonyms: 1- [(2,4- dimethoxyphenyl)(morpholin- 4- ium- 4- yl)methyl]naphthalen- 2- olate
Smiles: COc1cc(OC)ccc1C(c1c([O-])ccc2c1cccc2)[NH+]1CCOCC1

STK560825
Synonyms: N- [(2Z)- 6- fluoro- 1,3- benzothiazol- 2(3H)- ylidene]pentanamide
Smiles: CCCCC(=O)/N=c/1\sc2c([nH]1)ccc(c2)F

STK846133
Synonyms: (2E)- 2- [(4,6- dimethylpyrimidin- 2- yl)imino]- 1,2- dihydroquinazolin- 4- amine
Smiles: Cc1cc(C)nc(n1)/N=c\1/nc(N)c2c([nH]1)cccc2

STK560831
Synonyms: 4- [3- (diethylammonio)- 7H- chromeno[2',3':4,5]pyrimido[1,6- a]benzimidazol- 7- yl]phenolate
Smiles: CC[NH+](c1ccc2c(c1)OC1=NC(n3c(C1=C2)nc1c3cccc1)c1ccc(cc1)[O-])CC

STK560841
Synonyms: 2- [(2- oxo- 2- {[(2E)- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]amino}ethyl)sulfanyl]pyridine- 3- carboxylicacid
Smiles: O=C(/N=c\1/scc([nH]1)c1ccccc1)CSc1ncccc1C(=O)O

STK560842
Synonyms: N- cyclohexyl- N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 3- carboxamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1cccnc1)C1CCCCC1

STK560850
Synonyms: N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylphenyl)pyridine- 4- carboxamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(c1ccccc1C)C(=O)c1ccncc1

STK560860
Synonyms: (5Z)- 1- butyl- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCCCN1C(=NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1=O)S

STK560861
Synonyms: 4- [3- (5- methyl- 3- phenyl- 1,2- oxazol- 4- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]benzoicacid
Smiles: Cc1onc(c1c1n[nH]c(=S)n1c1ccc(cc1)C(=O)O)c1ccccc1

STK560868
Synonyms: 4- {[(1E,2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]amino}- 5- (pyridin- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1cccnc1

STK560879
Synonyms: (6E)- 4- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 6- [(4- methoxyphenyl)imino]- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccc(cc1)/N=c\1/nc(CN2CCN(CC2)c2ccc(cc2)F)nc([nH]1)N

STK846141
Synonyms: 2- sulfanyl- 3- [3- (trifluoromethyl)phenyl]- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: O=C1CN=C(N1c1cccc(c1)C(F)(F)F)S

STK846142
Synonyms: N- (3,4- difluorophenyl)- 2,4- dihydroxy- 5,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)Nc1ccc(c(c1)F)F

STK560890
Synonyms: 2,4- dihydroxy- N- (1,3- thiazol- 2- yl)- 5,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)Nc1nccs1

STK560898
Synonyms: methyl(3Z)- 2- [(4- ethoxyphenyl)amino]- 3- [hydroxy(4- methylphenyl)methylidene]- 4,5- dioxo- 1- phenylprolinate
Smiles: CCOc1ccc(cc1)NC1(C(=O)OC)/C(=C(\c2ccc(cc2)C)/O)/C(=O)C(=O)N1c1ccccc1

STK560899
Synonyms: (5E)- 1- (4- bromophenyl)- 5- ({[2- (diethylamino)ethyl]amino}methylidene)- 2- hydroxypyrimidine- 4,6(1H,5H)- dione
Smiles: CCN(CCN/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)Br)O)CC

STK560901
Synonyms: (E)- {1- [2- (diethylammonio)ethyl]- 2- (furan- 2- yl)- 4,5- dioxopyrrolidin- 3- ylidene}(thiophen- 2- yl)methanolate
Smiles: CC[NH+](CCN1C(c2ccco2)/C(=C(/c2cccs2)\[O-])/C(=O)C1=O)CC

STK560905
Synonyms: 2- [4- (6- amino- 3- tert- butyl- 5- cyano- 1,4- dihydropyrano[2,3- c]pyrazol- 4- yl)- 2- methoxyphenoxy]- N,N- diethylacetamide
Smiles: CCN(C(=O)COc1ccc(cc1OC)C1C(=C(N)Oc2c1c(n[nH]2)C(C)(C)C)C#N)CC

STK846145
Synonyms: 3- (diethylamino)- 6- methyl- 4- phenylquinolin- 2- ol
Smiles: CCN(c1c(O)nc2c(c1c1ccccc1)cc(cc2)C)CC

STK560913
Synonyms: 4- [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (4- methoxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]butanoicacid
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCCC(=O)O

STK560915
Synonyms: N- [(4Z)- 1- (4- chlorophenyl)- 1,7- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- ylidene]- 3- fluoroaniline
Smiles: Clc1ccc(cc1)n1ncc2c1[nH]cn/c/2=N\c1cccc(c1)F

STK560919
Synonyms: 7- (2- fluorobenzyl)- 6- hydroxy- 3- methyl- 8- (3- methylpiperidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC1CCCN(C1)c1nc2c(n1Cc1ccccc1F)c(O)nc(=O)n2C

STK560921
Synonyms: 2- chloro- N- (2,5- dimethylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: Cc1ccc(c(c1)N(C(=O)c1ccccc1Cl)Cc1cc2ccccc2[nH]c1=O)C

STK560924
Synonyms: 3- [(E)- (butylimino)methyl]- 7- methylquinolin- 2(1H)- one
Smiles: CCCC/N=C/c1cc2ccc(cc2[nH]c1=O)C

STK560929
Synonyms: 6- hydroxy- 3- methyl- 8- (4- phenylpiperazin- 1- yl)- 3,9- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1nc([nH]2)N1CCN(CC1)c1ccccc1)C

STK560937
Synonyms: 1- (4- chlorophenyl)- 4- hydroxy- 7- (3- methoxyphenyl)- 5,5- bis(trifluoromethyl)- 5,8- dihydropyrimido[4,5- d]pyrimidin- 2(1H)- one
Smiles: COc1cccc(c1)C1=NC(c2c(N1)n(c1ccc(cc1)Cl)c(=O)nc2O)(C(F)(F)F)C(F)(F)F

STK846149
Synonyms: 7- hydroxy- 4- (4- methylphenyl)- 1- (propan- 2- yl)- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: Cc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O

STK560965
Synonyms: (6Z)- 6- [(2E)- (3,4- dimethoxybenzylidene)hydrazinylidene]- 5,6- dihydro[1,2,4]triazolo[3,4- a]phthalazine
Smiles: COc1cc(/C=N/N=c/2\[nH]n3cnnc3c3c2cccc3)ccc1OC

STK560966
Synonyms: 2- {[(1- ethyl- 1H- 3,1- benzimidazol- 3- ium- 2- yl)amino]methyl}- 4- methylphenolate
Smiles: CCn1c(NCc2cc(C)ccc2[O-])[nH+]c2c1cccc2

STK846153
Synonyms: 1,5- diethyl- 1,5- dimethyl- 1H,5H- [1,2,4]triazolo[1,2- a][1,2,4]triazole- 3,7- dithiol
Smiles: CCC1(C)N=C(N2N1C(=NC2(C)CC)S)S

STK560978
Synonyms: (5E)- 5- [(cyclopropylamino)methylidene]- 6- hydroxy- 3- (4- iodophenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: Ic1ccc(cc1)N1C(=O)N=C(/C(=C\NC2CC2)/C1=O)O

STK560986
Synonyms: ethyl(2Z)- 4- methyl- 2- ({[(3,5,6- trimethyl- 4- oxo- 3,4- dihydrothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetyl}imino)- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1s/c(=N\C(=O)CSc2nc3sc(c(c3c(=O)n2C)C)C)/[nH]c1C

STK560988
Synonyms: 2- hydroxy- 1- phenylquinolin- 4(1H)- one
Smiles: Oc1cc(=O)c2c(n1c1ccccc1)cccc2

STK560990
Synonyms: 2- {[(2E)- 4- methylquinazolin- 2(1H)- ylidene]amino}- 6- propylpyrimidin- 4(1H)- one
Smiles: CCCc1cc(=O)nc([nH]1)/N=c\1/nc(C)c2c([nH]1)cccc2

STK846165
Synonyms: 3- hydroxy- 1- oxo- N- [2- (trifluoromethyl)phenyl]- 6,7- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 2- carboxamide
Smiles: O=C(c1c(=O)c2cccc3c2n(c1O)CCC3)Nc1ccccc1C(F)(F)F

STK561004
Synonyms: methyl2- (4,4,6- trimethyl- 2- sulfanylpyrimidin- 1(4H)- yl)benzoate
Smiles: COC(=O)c1ccccc1N1C(=CC(N=C1S)(C)C)C

STK561006
Synonyms: N'- {(Z)- [4- hydroxy- 2,6- dioxo- 1- (2- phenylethyl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C=C\1/C(=NC(=O)N(C1=O)CCc1ccccc1)O

STK561011
Synonyms: 2- (4- {[(1E)- 4- [4- methyl- 3- (morpholin- 4- ylsulfonyl)phenyl]phthalazin- 1(2H)- ylidene]amino}phenoxy)acetamide
Smiles: NC(=O)COc1ccc(cc1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)C

STK561013
Synonyms: (2Z)- 6- phenyl- 2- [(4,6,8- trimethylquinazolin- 2- yl)imino]tetrahydropyrimidin- 4(1H)- one
Smiles: O=C1N/C(=N\c2nc(C)c3c(n2)c(C)cc(c3)C)/NC(C1)c1ccccc1

STK561019
Synonyms: 4- {(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 4,5- dioxo- 2- phenylpyrrolidin- 1- yl}butanoicacid
Smiles: OC(=O)CCCN1C(c2ccccc2)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O

STK561029
Synonyms: N- [1- (furan- 2- ylmethyl)- 4- hydroxy- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]acetamide
Smiles: CC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2Cc1ccco1)C(F)(F)F

STK561030
Synonyms: (E)- [1- (1,3- benzothiazol- 3- ium- 2- yl)- 2- (3- fluorophenyl)- 4,5- dioxopyrrolidin- 3- ylidene](4- methylphenyl)methanolate
Smiles: Fc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1c1sc2c([nH+]1)cccc2

STK561038
Synonyms: 2- [(7- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)sulfanyl]- 6- (methoxymethyl)pyrimidin- 4(3H)- one
Smiles: COCc1cc(=O)[nH]c(n1)Sc1c(O)nc2c(c1c1ccccc1)ccc(c2)Cl

STK561044
Synonyms: 4- [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (4- fluorophenyl)- 4,5- dioxopyrrolidin- 1- yl]benzenesulfonamide
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1ccc(cc1)S(=O)(=O)N

STK561045
Synonyms: 5- cyano- 6- {[2- (diethylamino)- 2- oxoethyl]sulfanyl}- N- (2- methoxyphenyl)- 2- methyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCN(C(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1cccs1)CC

STK561047
Synonyms: 4- {(3E)- 3- [hydroxy(phenyl)methylidene]- 4,5- dioxo- 2- phenylpyrrolidin- 1- yl}butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1

STK561050
Synonyms: (E)- {1- [3- (dimethylammonio)propyl]- 2- (4- methylphenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(2,8- dimethylimidazo[1,2- a]pyridin- 3- yl)methanolate
Smiles: C[NH+](CCCN1C(c2ccc(cc2)C)/C(=C(/c2c(C)nc3n2cccc3C)\[O-])/C(=O)C1=O)C

STK561052
Synonyms: (5Z)- 5- ({[3- (dimethylamino)propyl]amino}methylidene)- 3- (3,4- dimethylphenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CN(CCCN/C=C\1/C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)O)C

STK561054
Synonyms: N- [7- (4- fluorophenyl)- 5- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]pyridine- 3- carboxamide
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)c1cccnc1)c1ccccc1

STK846173
Synonyms: 1- (2- {[(2E)- 4,6- dimethylquinazolin- 2(1H)- ylidene]amino}- 4,6- dimethylpyrimidin- 5- yl)ethanone
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/c1nc(C)c(c(n1)C)C(=O)C)/[nH]2

STK846174
Synonyms: 5- {(4E)- 4- [(3- hydroxyphenyl)imino]- 3,4- dihydrophthalazin- 1- yl}- N,N,2- trimethylbenzenesulfonamide
Smiles: Oc1cccc(c1)/N=c\1/[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N(C)C)C

STK846175
Synonyms: N- (4- {[(4Z)- 2,6- dimethoxypyrimidin- 4(3H)- ylidene]sulfamoyl}phenyl)- 2- [(4,6- dimethylpyrimidin- 2- yl)sulfanyl]acetamide
Smiles: COc1nc(OC)[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NC(=O)CSc2nc(C)cc(n2)C)/c1

STK561060
Synonyms: (5E)- 5- [(cyclopropylamino)methylidene]- 1- (naphthalen- 1- yl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: SC1=NC(=O)/C(=C\NC2CC2)/C(=O)N1c1cccc2c1cccc2

STK561068
Synonyms: (5Z)- 5- (4- fluorobenzylidene)- 2- [(4- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: Cc1ccc(cc1)NC1=NC(=O)/C(=C/c2ccc(cc2)F)/S1

STK561070
Synonyms: 2- ({(E)- [1- (4- fluorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}amino)- 4- (methylsulfonyl)butanoicacid
Smiles: OC(=O)C(CCS(=O)(=O)C)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)F)O

STK561074
Synonyms: 6- hydroxy- 4- oxo- N- [(2E)- 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/scn[nH]1

STK561080
Synonyms: (2E,5Z)- 2- [(4- hydroxyphenyl)imino]- 5- (pyridin- 3- ylmethylidene)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Oc1ccc(cc1)/N=C\1/S/C(=C\c2cccnc2)/C(=N1)O

STK561081
Synonyms: (5E)- 5- {[1- (2- chlorobenzyl)- 2,3- dihydro- 1H- indol- 5- yl]methylidene}- 1- hexyl- 2- hydroxypyrimidine- 4,6(1H,5H)- dione
Smiles: CCCCCCN1C(=NC(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)/C1=O)O

STK846181
Synonyms: 2- (3- hydroxy- 2H- 1,4- benzothiazin- 2- yl)- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CC1Sc2ccccc2N=C1O

STK561091
Synonyms: (E)- [2- (2- nitrophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1[N+](=O)[O-])Cc1ccc[nH+]c1)/c1ccccc1

STK561097
Synonyms: 4- {(3E)- 3- [hydroxy(4- methylphenyl)methylidene]- 4,5- dioxo- 2- [4- (propan- 2- yl)phenyl]pyrrolidin- 1- yl}butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)C(C)C

STK561099
Synonyms: (E)- [2- (2- fluorophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](3- methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)Cc1ccc[nH+]c1)/[O-]

STK561105
Synonyms: 2- {[(2Z)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]amino}- 6- oxo- 3- (4- phenoxyphenyl)- 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)c1ccc(cc1)Oc1ccccc1

STK561108
Synonyms: (5Z)- 2- [(2,3- dimethylphenyl)amino]- 5- (1H- indol- 3- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]c2c1cccc2)Nc1cccc(c1C)C

STK561122
Synonyms: (5E)- 5- ({[3- (diethylamino)propyl]amino}methylidene)- 1- (4- fluorobenzyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN(CCCN/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S)CC

STK561127
Synonyms: 2- [(1Z)- 1- (2- {[(1- methyl- 1H- 3,1- benzimidazol- 3- ium- 2- yl)sulfanyl]acetyl}hydrazinylidene)ethyl]phenolate
Smiles: O=C(CSc1[nH+]c2c(n1C)cccc2)N/N=C(\c1ccccc1[O-])/C

STK561128
Synonyms: 4- ({[5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}methyl)benzoate
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)[O-])[nH+]nc1c1ccc(cc1)Cl

STK561136
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methylphenyl)pyridine- 4- carboxamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccncc1)Cc1cc2cc(C)ccc2[nH]c1=O

STK561141
Synonyms: 3- {(3E)- 2- (4- chlorophenyl)- 3- [hydroxy(phenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}benzoicacid
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O

STK561145
Synonyms: (5Z)- 1- cyclopropyl- 5- ({[2- (1H- indol- 3- yl)ethyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\NCCc1c[nH]c2c1cccc2)C1CC1

STK561146
Synonyms: (5Z)- 1- (4- fluorophenyl)- 5- (4- methoxybenzylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)F)S

STK561147
Synonyms: 1'H- spiro[1,3- benzodioxole- 2,4'- pyridazine]- 3',6'- diol
Smiles: OC1=NNC(=CC21Oc1c(O2)cccc1)O

STK561150
Synonyms: (2Z)- 3- (3,4- dimethylphenyl)- 2- [(4,6- dimethylpyrimidin- 2- yl)imino]- 6- hydroxy- 2,3,4,5- tetrahydropyrimidine- 4- carboxylicacid
Smiles: OC1=N/C(=N\c2nc(C)cc(n2)C)/N(C(C1)C(=O)O)c1ccc(c(c1)C)C

STK561157
Synonyms: 3,3,7,8- tetramethyl- 11- phenyl- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: OC1=C2C(=Nc3c(NC2c2ccccc2)cc(c(c3)C)C)CC(C1)(C)C

STK846193
Synonyms: 2- (3- {(Z)- [1- (furan- 2- ylmethyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1H- indol- 1- yl)- N- (tetrahydrofuran- 2- ylmethyl)acetamide
Smiles: O=C(Cn1cc(c2c1cccc2)/C=C\1/C(=NC(=O)N(C1=O)Cc1ccco1)O)NCC1CCCO1

STK561173
Synonyms: (4E)- 4- [(2E)- (3- ethoxybenzylidene)hydrazinylidene]- 3,4- dihydropyrimidin- 2(1H)- one
Smiles: CCOc1cccc(c1)/C=N/N=c/1\cc[nH]c(=O)[nH]1

STK561185
Synonyms: 3- [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (3- methoxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]propanoicacid
Smiles: COc1cccc(c1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCC(=O)O

STK561202
Synonyms: 4- {[(1E,2E)- 3- (2- methoxyphenyl)prop- 2- en- 1- ylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1/C=C/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK846208
Synonyms: 2,4- dihydroxy- N- (3- methoxyphenyl)- 5,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1c(O)nc2c(c1O)CCCC2

STK561218
Synonyms: 3- [(E)- {[4- (9H- fluoren- 9- yl)piperazin- 4- ium- 1- yl]imino}methyl]phenolate
Smiles: [O-]c1cccc(c1)/C=N/N1CC[NH+](CC1)C1c2ccccc2c2c1cccc2

STK561228
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- ol
Smiles: Cc1nn(c(c1)C)c1nc(O)c2c(n1)sc1c2CC(OC1)(C)C

STK561237
Synonyms: N- (4- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]pyridine- 4- carboxamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccncc1)Cc1cc2ccccc2[nH]c1=O

STK846211
Synonyms: 4- hydroxy- 2- [(4- hydroxy- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (pyridin- 3- ylmethyl)butanamide
Smiles: OCCC(C(=O)NCc1cccnc1)Sc1nc(O)c2c(n1)sc1c2CCCC1

STK561241
Synonyms: 4- ethyl- 1- imino- 6- methyl- 7- phenyl- 6,7- dihydro- 3,6- epoxypyrano[3,4- c]pyrrole- 3a,7a(1H,4H)- dicarbonitrile
Smiles: CCC1OC2(C)OC3=NC(=N)C(C13C#N)(C2c1ccccc1)C#N

STK561248
Synonyms: 5- (9,11- dihydroxy- 12H- benzo[5,6]chromeno[2,3- d]pyrimidin- 12- yl)- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)C(C(=N1)O)C1c2c(O)nc(nc2Oc2c1c1ccccc1cc2)O

STK846215
Synonyms: 5',6',7',8'- tetrahydro- 3'H- spiro[cyclohexane- 1,9'- [1,2,4]triazolo[5,1- b]quinazoline]
Smiles: C1CCC2(CC1)C1=C(CCCC1)N=c1n2nc[nH]1

STK561250
Synonyms: (E)- (3- methoxyphenyl)[2- (4- methylphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene]methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc[nH+]c1)/[O-]

STK561252
Synonyms: (5Z)- 5- {[(1- benzylpiperidin- 4- yl)amino]methylidene}- 3- butyl- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C/NC2CCN(CC2)Cc2ccccc2)/C1=O)O

STK561254
Synonyms: N- [1- benzyl- 4- hydroxy- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]- 2- chloroacetamide
Smiles: ClCC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2Cc1ccccc1)C(F)(F)F

STK561263
Synonyms: (E)- {1- [2- (dimethylammonio)ethyl]- 2- (4- methylphenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(2- methylimidazo[1,2- a]pyridin- 3- yl)methanolate
Smiles: C[NH+](CCN1C(c2ccc(cc2)C)/C(=C(/c2c(C)nc3n2cccc3)\[O-])/C(=O)C1=O)C

STK846217
Synonyms: 4- {[(E)- (4- bromophenyl)methylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccc(cc1)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK561274
Synonyms: (2Z)- 3- (1H- benzotriazol- 1- yl)- 4- hydroxy- 2- [(4- methoxyphenyl)imino]naphthalen- 1(2H)- one
Smiles: COc1ccc(cc1)/N=C/1\C(=O)c2ccccc2C(=C1n1nnc2c1cccc2)O

STK561278
Synonyms: (6Z)- 6- [(2E)- (2- methoxybenzylidene)hydrazinylidene]- 5,6- dihydro[1,2,4]triazolo[3,4- a]phthalazine
Smiles: COc1ccccc1/C=N/N=c/1\[nH]n2cnnc2c2c1cccc2

STK561282
Synonyms: 2- {4- [(furan- 2- ylcarbonyl)oxy]phenyl}- 2- oxoethyl2- oxo- 1,2- dihydroquinoline- 4- carboxylate
Smiles: O=C(c1ccc(cc1)OC(=O)c1ccco1)COC(=O)c1cc(=O)[nH]c2c1cccc2

STK561284
Synonyms: 2- [(2E)- 1,3- benzothiazol- 2(3H)- ylideneamino]- 6- methylpyrimidin- 4(1H)- one
Smiles: O=c1cc(C)[nH]c(n1)/N=c\1/sc2c([nH]1)cccc2

STK561289
Synonyms: (5Z)- 2- [(3,5- dichlorophenyl)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)Nc1cc(Cl)cc(c1)Cl

STK561291
Synonyms: 3,4,5- triethoxy- N- methyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)C

STK561292
Synonyms: (E)- (2,8- dimethylimidazo[1,2- a]pyridin- 3- yl){1- [2- (morpholin- 4- ium- 4- yl)ethyl]- 4,5- dioxo- 2- (3,4,5- trimethoxyphenyl)pyrrolidin- 3- ylidene}methanolate
Smiles: COc1c(OC)cc(cc1OC)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)nc2n1cccc2C)/[O-]

STK561326
Synonyms: ethyl6- [(2- amino- 2- oxoethyl)sulfanyl]- 5- cyano- 4- (2- ethoxyphenyl)- 2- hydroxy- 3,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1C(=NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)N)O

STK561338
Synonyms: 5- (4- hydroxyphthalazin- 1- yl)- N- (2- methoxyphenyl)- 2- methylbenzenesulfonamide
Smiles: COc1ccccc1NS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)O

STK846230
Synonyms: ethyl{(4Z)- 4- [(2,4- dimethylphenyl)imino]- 3,4- dihydrophthalazin- 1- yl}acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N\c2ccc(cc2C)C)/c2c1cccc2

STK561345
Synonyms: 1- chloro- 4- (2,4- dichlorophenyl)- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinolinium- 8- carboxylate
Smiles: Clc1ccc(c(c1)Cl)C1[NH2+]c2ccc(cc2C2C1CC(C2Cl)Sc1ccccc1[N+](=O)[O-])C(=O)[O-]

STK846236
Synonyms: 3- {[(4- methoxyphenyl)amino]methyl}- 8- methylquinolin- 2(1H)- one
Smiles: COc1ccc(cc1)NCc1cc2cccc(c2[nH]c1=O)C

STK561354
Synonyms: N- butyl- 4- methoxy- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: CCCCN(C(=O)c1ccc(cc1)OC)Cc1cc2ccccc2[nH]c1=O

STK561356
Synonyms: 3- {(3E)- 2- (4- chlorophenyl)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 4,5- dioxopyrrolidin- 1- yl}propanoicacid
Smiles: OC(=O)CCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O

STK561361
Synonyms: N- heptyl- 2,4- dihydroxy- 5,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: CCCCCCCNC(=O)c1c(O)nc2c(c1O)CCCC2

STK561365
Synonyms: (6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl4- chlorobenzoate
Smiles: Clc1ccc(cc1)C(=O)OCc1cc2cc(C)ccc2[nH]c1=O

STK561366
Synonyms: 3- (1H- tetrazol- 4- ium- 1- yl)benzoate
Smiles: [O-]C(=O)c1cccc(c1)n1c[nH+]nn1

STK561368
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- (pyridin- 3- yl)pyrrolidin- 3- ylidene}[4- (prop- 2- en- 1- yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCCn1c[nH+]cc1)/[O-]

STK561392
Synonyms: 7- hexyl- 6- hydroxy- 3- methyl- 8- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCCCCn1c(N/N=C/c2cccnc2)nc2c1c(O)nc(=O)n2C

STK846244
Synonyms: 4- hydroxy- 1,3- dimethyl- 5- [4- (propan- 2- yl)phenyl]- 3,5- dihydro- 1H- indeno[2',1':5,6]pyrido[2,3- d]pyrimidine- 2,6- dione
Smiles: CC(c1ccc(cc1)C1C2=C(N=c3c1c(O)n(C)c(=O)n3C)c1c(C2=O)cccc1)C

STK561398
Synonyms: N- [4- ({(Z)- [4- hydroxy- 2,6- dioxo- 1- (2,4,6- trimethylphenyl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C\1/C(=NC(=O)N(C1=O)c1c(C)cc(cc1C)C)O

STK561412
Synonyms: (5- fluoro- 2- hydroxy- 4- oxopyrimidin- 1(4H)- yl)aceticacid
Smiles: OC(=O)Cn1cc(F)c(=O)nc1O

STK561413
Synonyms: 1- cycloheptyl- 7- hydroxy- 4- phenyl- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: OC1=Nc2c(C(SC1)c1ccccc1)c(=O)[nH]n2C1CCCCCC1

STK846250
Synonyms: (1Z)- 2- butyl- 1- {[4- (dimethylamino)phenyl]imino}- 3- methyl- 1,5- dihydropyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCCc1c(C)c(C#N)c2n(/c/1=N\c1ccc(cc1)N(C)C)c1ccccc1[nH]2

STK561425
Synonyms: 2- imino- 6- nitro- 2H- 1,3- benzothiazin- 4- ol
Smiles: N=c1nc(O)c2c(s1)ccc(c2)[N+](=O)[O-]

STK561427
Synonyms: (E)- [4,5- dioxo- 2- phenyl- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](furan- 2- yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccco2)/[O-])/C(N1Cc1ccc[nH+]c1)c1ccccc1

STK561437
Synonyms: [5- (4- methoxybenzyl)- 1H- tetrazol- 3- ium- 1- yl]acetate
Smiles: COc1ccc(cc1)Cc1n[nH+]nn1CC(=O)[O-]

STK561438
Synonyms: (E)- [2- (2,5- dimethoxyphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](4- ethoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)Cc1ccc[nH+]c1)/[O-]

STK561443
Synonyms: (5E)- 1- (2,5- dimethoxyphenyl)- 5- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(c(c1)N1C(=NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O)S)OC

STK561455
Synonyms: 1- [(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- phenylurea
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)Nc2ccccc2)/s1

STK846257
Synonyms: (2Z)- 6- benzyl- 2- [2- oxo- 1- (prop- 2- en- 1- yl)- 1,2- dihydro- 3H- indol- 3- ylidene]- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: C=CCN1C(=O)/C(=c/2\sc3n(c2=O)nc(c(=O)n3)Cc2ccccc2)/c2c1cccc2

STK561458
Synonyms: (E)- 1- benzofuran- 2- yl{1- [2- (dimethylammonio)ethyl]- 2- (2- fluorophenyl)- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2cc3c(o2)cccc3)/[O-])/C1c1ccccc1F)C

STK561470
Synonyms: 5- (2- methylpropyl)- 6,7,8,9- tetrahydro- 4H- pyrazolo[3,4- c]isoquinolin- 1- amine
Smiles: CC(Cc1[nH]c2nnc(c2c2c1CCCC2)N)C

STK561473
Synonyms: {(3Z)- 3- [(2Z)- 4- hydroxy- 2- {[2- (trifluoromethyl)phenyl]imino}- 1,3- thiazol- 5(2H)- ylidene]- 2- oxo- 2,3- dihydro- 1H- indol- 1- yl}aceticacid
Smiles: OC(=O)CN1c2ccccc2/C(=C\2/S/C(=N\c3ccccc3C(F)(F)F)/N=C2O)/C1=O

STK846261
Synonyms: N- (3,5- dimethoxyphenyl)- 2- (3- hydroxy- 2H- 1,4- benzothiazin- 2- yl)acetamide
Smiles: COc1cc(NC(=O)CC2Sc3ccccc3N=C2O)cc(c1)OC

STK846264
Synonyms: (4Z)- 4- (3- hydroxybenzylidene)- 2- sulfanyl- 4H- imidazol- 5- ol
Smiles: Oc1cccc(c1)/C=C/1\N=C(N=C1O)S

STK561487
Synonyms: (E)- (4- methoxy- 3- methylphenyl)[2- (4- methylphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene]methanolate
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc[nH+]c1)/[O-]

STK846265
Synonyms: 4- methoxy- N- [(7Z)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(4H)- ylidene]aniline
Smiles: COc1ccc(cc1)/N=c\1/cc(C)[nH]c2n1ncn2

STK561493
Synonyms: 3- [(4- hydroxy- 6- oxo- 5- propyl- 1,6- dihydropyrimidin- 2- yl)sulfanyl]- 1- (4- methoxyphenyl)pyrrolidine- 2,5- dione
Smiles: CCCc1c(O)nc([nH]c1=O)SC1CC(=O)N(C1=O)c1ccc(cc1)OC

STK561514
Synonyms: (5Z)- 1- (4- chlorophenyl)- 2- hydroxy- 5- {[(3- hydroxypropyl)amino]methylidene}pyrimidine- 4,6(1H,5H)- dione
Smiles: OCCCN/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)O

STK846271
Synonyms: 7- (4- fluorophenyl)- 5- phenyl- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccccc1

STK561525
Synonyms: 1- imino- 6,7- dimethyl- 4- propyl- 6,7- dihydro- 3,6- epoxypyrano[3,4- c]pyrrole- 3a,7a(1H,4H)- dicarbonitrile
Smiles: CCCC1OC2(C)OC3=NC(=N)C(C13C#N)(C2C)C#N

STK561535
Synonyms: N- [(2Z)- benzo[cd]indol- 2(1H)- ylidene]- 2- methoxyaniline
Smiles: COc1ccccc1/N=c/1\[nH]c2c3c1cccc3ccc2

STK561539
Synonyms: (2Z)- 4- hydroxy- 2- [(3- methoxyphenyl)imino]- 3- (morpholin- 4- yl)naphthalen- 1(2H)- one
Smiles: COc1cccc(c1)/N=C\1/C(=C(O)c2c(C1=O)cccc2)N1CCOCC1

STK561541
Synonyms: (3E)- 7- bromo- 5- (2- chlorophenyl)- 3- (furan- 3- ylmethylidene)- 3H- 1,4- benzodiazepin- 2- ol
Smiles: Brc1ccc2c(c1)C(=N/C(=C/c1ccoc1)/C(=N2)O)c1ccccc1Cl

STK846277
Synonyms: 5- (4- methoxyphenyl)- 7- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(c2ccccc2)n2c(=N1)[nH]cn2

STK561553
Synonyms: 2- hydroxy- 6'- methyl- 2'- (methylsulfanyl)- 4H- 1,4'- bipyrimidin- 4- one
Smiles: CSc1nc(C)cc(n1)n1ccc(=O)nc1O

STK561555
Synonyms: 5- cyclohexyl- 4- {[(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1O)/C=N/n1c(=S)[nH]nc1C1CCCCC1

STK846278
Synonyms: ethyl(2- hydroxy- 6- methyl- 4- phenylquinolin- 3- yl)acetate
Smiles: CCOC(=O)Cc1c(O)nc2c(c1c1ccccc1)cc(cc2)C

STK561557
Synonyms: 4- {4- oxo- 2- [(E)- 2- (pyridinium- 3- yl)ethenyl]quinazolin- 3(4H)- yl}phenolate
Smiles: [O-]c1ccc(cc1)n1c(/C=C/c2ccc[nH+]c2)nc2c(c1=O)cccc2

STK561559
Synonyms: 4,6- dihydroxy- 1- (3- methoxyphenyl)- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidin- 2(1H)- one
Smiles: COc1cccc(c1)n1c(=O)nc(c(c1O)C1NCCc2c1cccc2)O

STK561562
Synonyms: 5- {(4,6- dihydroxy- 1- methyl- 2- thioxo- 1,2- dihydropyrimidin- 5- yl)[4- methoxy- 3- (morpholin- 4- ium- 4- ylmethyl)phenyl]methyl}- 4- hydroxy- 1- methyl- 6- oxo- 1,6- dihydropyrimidine- 2- thiolate
Smiles: COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)nc(n(c1=O)C)[S-])c1c(O)nc(=S)n(c1O)C

STK846279
Synonyms: 6- amino- 3- ethyl- 4- [4- (trifluoromethoxy)phenyl]- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)OC(F)(F)F)c(CC)n[nH]2

STK561565
Synonyms: (8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methylfuran- 2- carboxylate
Smiles: O=C(c1ccco1)OCc1cc2cccc(c2[nH]c1=O)C

STK561572
Synonyms: (5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 3- (2- fluorophenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C\c1nc2c([nH]1)cccc2)c1ccccc1F

STK561578
Synonyms: methyl3- ({(E)- [1- (butan- 2- yl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}amino)benzoate
Smiles: CCC(N1C(=NC(=O)/C(=C\Nc2cccc(c2)C(=O)OC)/C1=O)S)C

STK561580
Synonyms: 3- (6- oxo- 1,4,5,6- tetrahydropyridazin- 2- ium- 3- yl)propanoate
Smiles: [O-]C(=O)CCC1=[NH+]NC(=O)CC1

STK561587
Synonyms: 3- (4- chlorophenyl)- 2- hydroxy- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1ccc(cc1)n1c(O)nc2c(c1=O)c1CCCc1s2

STK846282
Synonyms: N- [(2E)- 5- oxo- 7- (thiophen- 2- yl)- 5,6,7,8- tetrahydroquinazolin- 2(1H)- ylidene]benzamide
Smiles: O=C1CC(Cc2c1cn/c(=N/C(=O)c1ccccc1)/[nH]2)c1cccs1

STK561599
Synonyms: N- {4- [(5- {(E)- [1- (4- fluorophenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}- 2- methoxybenzyl)oxy]phenyl}acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)F)S

STK561605
Synonyms: N- ethyl- 2,4- dihydroxy- 5,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: CCNC(=O)c1c(O)nc2c(c1O)CCCC2

STK846286
Synonyms: 4- {[(E)- (5- bromo- 2- hydroxyphenyl)methylidene]amino}- 5- (pyridin- 4- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1ccncc1)O

STK846289
Synonyms: N- (4- methoxyphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]acetamide
Smiles: COc1ccc(cc1)N(C(=O)C)Cc1cc2ccccc2[nH]c1=O

STK561628
Synonyms: (5Z)- 6- hydroxy- 5- [(phenylamino)methylidene]- 2- sulfanylpyrimidin- 4(5H)- one
Smiles: SC1=NC(=O)/C(=C\Nc2ccccc2)/C(=N1)O

STK846291
Synonyms: 3- {[(2- methoxyphenyl)amino]methyl}- 7- methylquinolin- 2(1H)- one
Smiles: COc1ccccc1NCc1cc2ccc(cc2[nH]c1=O)C

STK561630
Synonyms: (E)- {1- [3- (diethylammonio)propyl]- 2- (4- methylphenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(5- methylfuran- 2- yl)methanolate
Smiles: CC[NH+](CCCN1C(c2ccc(cc2)C)/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C1=O)CC

STK846293
Synonyms: (5Z)- 2- hydroxy- 5- (1H- indol- 3- ylmethylidene)- 1- (2- methylphenyl)pyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(O)N(C(=O)/C/1=C\c1c[nH]c2c1cccc2)c1ccccc1C

STK561635
Synonyms: ethyl4- [(4- hydroxy- 6- oxo- 1,2- dihydro- 6H- pyrrolo[3,2,1- ij]quinolin- 5- yl)carbonyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)c1c(=O)c2cccc3c2n(c1O)CC3

STK846294
Synonyms: 5,6- dimethyl- 2- {[(2Z)- 4,6,8- trimethylquinazolin- 2(3H)- ylidene]amino}pyrimidin- 4(1H)- one
Smiles: Cc1cc(C)c2c(c1)c(C)[nH]/c(=N/c1[nH]c(C)c(c(=O)n1)C)/n2

STK561637
Synonyms: 1,5- bis(2- methoxyphenyl)- 1H,5H- [1,2,4]triazolo[1,2- a][1,2,4]triazole- 3,7- dithiol
Smiles: COc1ccccc1C1N=C(N2N1C(=NC2c1ccccc1OC)S)S

STK561641
Synonyms: methyl[1- hydroxy- 11- (4- methoxyphenyl)- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]acetate
Smiles: COC(=O)CN1C(c2ccc(cc2)OC)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

STK561645
Synonyms: 6- methyl- 4- (4- methylphenyl)- 1- thioxo- 2,4,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(1H)- one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3C(C)CCCc3sc2n2c1n[nH]c2=S

STK561652
Synonyms: (3Z)- 5- bromo- 3- [(2E)- 2- [(2- ethoxyphenyl)imino]- 4- hydroxy- 1,3- thiazol- 5(2H)- ylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: CCOc1ccccc1/N=C/1\N=C(/C(=C\2/C(=O)Nc3c2cc(Br)cc3)/S1)O

STK561653
Synonyms: (E)- [2- (5- methylfuran- 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(C1c1ccc(o1)C)Cc1ccc[nH+]c1)/[O-]

STK561655
Synonyms: 5,5'- (E)- ethene- 1,2- diylbis(4H- 1,2,4- triazol- 3- amine)
Smiles: Nc1nnc([nH]1)/C=C/c1nnc([nH]1)N

STK561660
Synonyms: methyl[(6- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)sulfanyl]acetate
Smiles: COC(=O)CSc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK561664
Synonyms: 2- [(1,5- dicyano- 4- hydroxy- 3- azaspiro[5.5]undeca- 1,3- dien- 2- yl)sulfanyl]- N- (4- fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)N=C(C(C21CCCCC2)C#N)O

STK561667
Synonyms: N- {(E)- [1- (4- chlorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}glycylglycine
Smiles: O=C(NCC(=O)O)CN/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O

STK561672
Synonyms: (5E)- 5- ({2- [2- (diethylamino)ethyl]hydrazinyl}methylidene)- 1- (4- fluorophenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN(CCNN/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)F)S)CC

STK561674
Synonyms: 4- hydroxy- 2- (propylsulfanyl)- 3- azaspiro[5.5]undeca- 1,3- diene- 1,5- dicarbonitrile
Smiles: CCCSC1=C(C#N)C2(C(C(=N1)O)C#N)CCCCC2

STK561681
Synonyms: (E)- [2- (4- methylphenyl)- 4,5- dioxo- 1- (pyridinium- 2- yl)pyrrolidin- 3- ylidene](4- propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)c1cccc[nH+]1)/[O-]

STK561697
Synonyms: 1- [(2Z)- 5- [(4- cyclohexylphenoxy)methyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (4- methylphenyl)urea
Smiles: Cc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)COc1ccc(cc1)C1CCCCC1

STK561699
Synonyms: 2- methoxy- N- (4- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]acetamide
Smiles: COCC(=O)N(c1ccc(cc1)C)Cc1cc2ccccc2[nH]c1=O

STK561700
Synonyms: (5E)- 1- (4- fluorophenyl)- 2- hydroxy- 5- (3,4,5- trimethoxybenzylidene)pyrimidine- 4,6(1H,5H)- dione
Smiles: COc1c(OC)cc(cc1OC)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)F)O

STK561706
Synonyms: N- ethyl- 3- methyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: CCN(C(=O)c1cccc(c1)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK561712
Synonyms: methyl[11- (furan- 2- yl)- 1- hydroxy- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]acetate
Smiles: COC(=O)CN1C(c2ccco2)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

STK846313
Synonyms: 1- (2,3- dihydroxy- 3H- indol- 3- yl)propan- 2- one
Smiles: CC(=O)CC1(O)C(=Nc2c1cccc2)O

STK561718
Synonyms: (5E)- 1- [(4- fluorophenyl)carbonyl]- 5- (4- methoxybenzylidene)- 2- sulfanyl- 1,5- dihydro- 4H- imidazol- 4- one
Smiles: COc1ccc(cc1)/C=C/1\C(=O)N=C(N1C(=O)c1ccc(cc1)F)S

STK561723
Synonyms: (E)- 1- benzofuran- 2- yl{1- [3- (dimethylammonio)propyl]- 2- (2- fluorophenyl)- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2ccccc2F)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)C

STK846316
Synonyms: 6- [(4- chlorobenzyl)sulfanyl]- 5- cyano- N- (2- methoxyphenyl)- 2- methyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)C

STK561728
Synonyms: 2,5- bis(3- methyl- 1H- pyrazol- 2- ium- 1- yl)benzene- 1,4- diolate
Smiles: [O-]c1cc(c(cc1n1ccc([nH+]1)C)[O-])n1ccc([nH+]1)C

STK561732
Synonyms: 4- {(3E)- 2- (3,4- dimethoxyphenyl)- 3- [hydroxy(4- methylphenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}butanoicacid
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1CCCC(=O)O

STK561739
Synonyms: 6- chloro- 3- [4- (2- hydroxyethyl)piperazin- 1- yl]- 4- phenylquinolin- 2- ol
Smiles: OCCN1CCN(CC1)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK561761
Synonyms: (5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 6- hydroxy- 2- sulfanylpyrimidin- 4(5H)- one
Smiles: SC1=NC(=O)/C(=C\c2nc3c([nH]2)cccc3)/C(=N1)O

STK561765
Synonyms: 4- {[(E)- (2- chlorophenyl)methylidene]amino}- 5- (pyridin- 4- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccncc1

STK561768
Synonyms: (5Z)- 1- acetyl- 5- [(2- hydroxy- 6- methylquinolin- 3- yl)methylidene]- 2- sulfanyl- 1,5- dihydro- 4H- imidazol- 4- one
Smiles: Cc1ccc2c(c1)cc(c(n2)O)/C=C\1/C(=O)N=C(N1C(=O)C)S

STK561777
Synonyms: (5Z)- 2- [(2,4- dichlorophenyl)amino]- 5- (pyridin- 3- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Clc1ccc(c(c1)Cl)NC1=NC(=O)/C(=C/c2cccnc2)/S1

STK561779
Synonyms: 7- butyl- 6- hydroxy- 3- methyl- 8- (propan- 2- ylsulfanyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCCn1c(SC(C)C)nc2c1c(O)nc(=O)n2C

STK846321
Synonyms: 5- (pyridin- 4- yl)- 4- ({(E)- [4- (trifluoromethyl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: FC(c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccncc1)(F)F

STK561782
Synonyms: 2- chloro- N- (4- methoxyphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COc1ccc(cc1)N(C(=O)c1ccccc1Cl)Cc1cc2ccccc2[nH]c1=O

STK561791
Synonyms: 4- (propan- 2- yl)- 9- sulfanyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- ol
Smiles: Sc1nc(O)c2c(n1)c1c(s2)nc(c2c1CCC2)C(C)C

STK561792
Synonyms: (E)- [2- (4- bromophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene][5- (methoxycarbonyl)- 2,4- dimethyl- 1H- pyrrol- 3- yl]methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)Cc1ccc[nH+]c1)/[O-])C

STK846323
Synonyms: 2,4- dihydroxy- N- (4- methoxyphenyl)- 5,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(O)nc2c(c1O)CCCC2

STK561812
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- (pyridin- 3- yl)pyrrolidin- 3- ylidene}(4- methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCCn1cc[nH+]c1)/[O-]

STK561813
Synonyms: 3- {[4,6- dihydroxy- 5- (propan- 2- yl)pyrimidin- 2- yl]sulfanyl}propanoicacid
Smiles: CC(c1c(O)nc(nc1O)SCCC(=O)O)C

STK561818
Synonyms: ({7- [3- (4- ethylphenoxy)- 2- hydroxypropyl]- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl}sulfanyl)aceticacid
Smiles: CCc1ccc(cc1)OCC(Cn1c(SCC(=O)O)nc2c1c(O)nc(=O)n2C)O

STK561819
Synonyms: 4- {(E)- [(3- phenyl- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl)imino]methyl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccccc1

STK561823
Synonyms: 3,3,7,8- tetramethyl- 11- (2- nitrophenyl)- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: OC1=C2C(=Nc3c(NC2c2ccccc2[N+](=O)[O-])cc(c(c3)C)C)CC(C1)(C)C

STK846328
Synonyms: 6- methyl- 3- (morpholin- 4- yl)- 4- phenylquinolin- 2- ol
Smiles: Cc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)N1CCOCC1

STK561832
Synonyms: (2- oxo- 1,2- dihydroquinolin- 3- yl)methylmethoxyacetate
Smiles: COCC(=O)OCc1cc2ccccc2[nH]c1=O

STK561837
Synonyms: 3- (benzo[cd]indolium- 2- ylamino)benzoate
Smiles: [O-]C(=O)c1cccc(c1)NC1=[NH+]c2c3c1cccc3ccc2

STK846331
Synonyms: N- [(3Z)- 1- acetyl- 4- thia- 1,2- diazaspiro[4.5]dec- 3- ylidene]acetamide
Smiles: CC(=O)N1N/C(=N/C(=O)C)/SC21CCCCC2

STK846332
Synonyms: 5- (4- hydroxybenzyl)- 3- methyl- 2- sulfanyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: CN1C(=O)C(N=C1S)Cc1ccc(cc1)O

STK561852
Synonyms: 8- ethyl- 5- oxo- 2- {4- [(1- phenylethyl)carbamothioyl]piperazin- 1- ium- 1- yl}- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylate
Smiles: CCn1cc(C(=O)[O-])c(=O)c2c1nc(nc2)[NH+]1CCN(CC1)C(=S)NC(c1ccccc1)C

STK561859
Synonyms: (4E)- 4- [(2E)- (thiophen- 2- ylmethylidene)hydrazinylidene]- 3,4- dihydropyrimidin- 2(1H)- one
Smiles: O=c1[nH]cc/c(=N\N=C\c2cccs2)/[nH]1

STK846334
Synonyms: 1- cyclopentyl- 7- hydroxy- 4- (4- methylphenyl)- 1,2,4,6- tetrahydro- 3H- pyrazolo[3,4- e][1,4]thiazepin- 3- one
Smiles: Cc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCC1)O

STK561862
Synonyms: (5Z)- 5- [(2- hydroxy- 7- methoxyquinolin- 3- yl)methylidene]- 2- sulfanyl- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccc2c(c1)nc(c(c2)/C=C/1\SC(=NC1=O)S)O

STK561865
Synonyms: 2- (4- hydroxy- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 7- ium- 2- yl)- 5- methylphenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1[O-])C)O

STK561866
Synonyms: 2,4- dibromo- 6- ({[1- (propan- 2- yl)- 1H- benzimidazol- 3- ium- 2- yl]amino}methyl)phenolate
Smiles: Brc1cc(CNc2[nH+]c3c(n2C(C)C)cccc3)c(c(c1)Br)[O-]

STK561874
Synonyms: (2Z)- 2- [(2E)- {[1- (3,4- dichlorobenzyl)- 2,5- dimethyl- 1H- indol- 3- yl]methylidene}hydrazinylidene]- 2,3- dihydro- 1,3- benzothiazole
Smiles: Cc1ccc2c(c1)c(/C=N/N=c/1\sc3c([nH]1)cccc3)c(n2Cc1ccc(c(c1)Cl)Cl)C

STK561884
Synonyms: (4- {(E)- [1- (4- fluorobenzyl)- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1ccc(cc1)/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)O

STK561894
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylphenyl)pyridine- 4- carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(c1ccccc1C)C(=O)c1ccncc1

STK561897
Synonyms: 2- {[(2E)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]amino}- N- methyl- 4,5- dihydro- 1H- imidazole- 1- carbothioamide
Smiles: CNC(=S)N1CCN=C1/N=c\1/nc(C)cc([nH]1)C

STK561899
Synonyms: 2- {4- [(2- ethoxy- 2- oxoethyl)carbamothioyl]piperazin- 1- ium- 1- yl}- 8- ethyl- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)CNC(=S)N1CC[NH+](CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)[O-]

STK846346
Synonyms: 5- (pyridin- 4- yl)- 4- {[(E)- thiophen- 2- ylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1/N=C/c1cccs1)c1ccncc1

STK561904
Synonyms: (5E)- 5- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]methylidene}- 1- phenyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/Nc1c(=O)n(n(c1C)C)c1ccccc1)c1ccccc1

STK561912
Synonyms: (E)- [2- (2,4- dimethoxyphenyl)- 4,5- dioxo- 1- (pyridinium- 2- yl)pyrrolidin- 3- ylidene](phenyl)methanolate
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1cccc[nH+]1

STK561915
Synonyms: 1- [1- hydroxy- 11- (3- methoxy- 4- propoxyphenyl)- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]propan- 1- one
Smiles: CCCOc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CC)cccc2)(C)C

STK561918
Synonyms: 1- (2- methoxyphenyl)- 3- [(2E)- 5- [(4- nitrophenoxy)methyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]urea
Smiles: COc1ccccc1NC(=O)/N=c/1\[nH]nc(s1)COc1ccc(cc1)[N+](=O)[O-]

STK561928
Synonyms: (1E)- 1- [(4- ethylphenyl)imino]- 3- methyl- 1,5- dihydropyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1ccc(cc1)/N=c/1\cc(C)c(c2n1c1ccccc1[nH]2)C#N

STK561930
Synonyms: [11- (3,4- dichlorophenyl)- 1- hydroxy- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl](phenyl)methanone
Smiles: OC1=C2C(=Nc3c(N(C2c2ccc(c(c2)Cl)Cl)C(=O)c2ccccc2)cccc3)CC(C1)(C)C

STK561936
Synonyms: (4Z)- 4- {[2- (piperidin- 1- yl)quinolin- 3- yl]methylidene}- 2- sulfanyl- 4H- imidazol- 5- ol
Smiles: SC1=N/C(=C\c2cc3ccccc3nc2N2CCCCC2)/C(=N1)O

STK561952
Synonyms: 6- hydroxy- 3- methyl- 8- {[2- (morpholin- 4- yl)ethyl]sulfanyl}- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: C=CCn1c(SCCN2CCOCC2)nc2c1c(O)nc(=O)n2C

STK561960
Synonyms: 8- (cyclohexylamino)- 6- hydroxy- 3- methyl- 7- (2- methylpropyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(Cn1c(NC2CCCCC2)nc2c1c(O)nc(=O)n2C)C

STK846357
Synonyms: (5Z)- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 1- (4- methylphenyl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=NC(=O)/C(=C/C=C/c2ccco2)/C1=O)S

STK561973
Synonyms: N'- [(2Z)- 1,1,1- trifluoro- 5,5- dimethyl- 4- oxohexan- 2- ylidene]pyridine- 4- carbohydrazide
Smiles: O=C(C(C)(C)C)C/C(=N/NC(=O)c1ccncc1)/C(F)(F)F

STK561978
Synonyms: 1- (2,4- dichlorophenyl)- 3- [(2Z)- 5- (2- ethoxyethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]urea
Smiles: CCOCCc1n[nH]/c(=N/C(=O)Nc2ccc(cc2Cl)Cl)/s1

STK561984
Synonyms: (4E)- 5- [4- (benzyloxy)- 3- methoxyphenyl]- 4- [hydroxy(5- methylfuran- 2- yl)methylidene]- 1- (5- methyl- 1,2- oxazol- 3- yl)pyrrolidine- 2,3- dione
Smiles: COc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc(o2)C)\O)/C(=O)C(=O)N1c1noc(c1)C

STK561993
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 2- ({[(E)- (2- chlorophenyl)methylidene]amino}oxy)acetamide
Smiles: O=C(/N=c\1/sc2c([nH]1)cccc2)CO/N=C/c1ccccc1Cl

STK561998
Synonyms: 3- [(cyclohexylamino)methyl]- 7- methylquinolin- 2(1H)- one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CNC1CCCCC1

STK562004
Synonyms: (E)- {2- (2- fluorophenyl)- 1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CCCn1c[nH+]cc1)c1ccccc1F

STK846359
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: Cc1nn(c(c1)C)c1nc(O)c2c(n1)sc1c2CCCC1

STK562006
Synonyms: N- [(7- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N,2,2- trimethylpropanamide
Smiles: COc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)C(C)(C)C)C

STK562011
Synonyms: (2E,5Z)- 2- [(3- bromophenyl)imino]- 5- (1H- indol- 3- ylmethylidene)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Brc1cccc(c1)/N=C/1\N=C(/C(=C/c2c[nH]c3c2cccc3)/S1)O

STK562014
Synonyms: N- tert- butyl- 2- [(5- ethyl- 6- hydroxy- 4- oxo- 1- phenyl- 1,4- dihydropyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCc1c(=O)nc(n(c1O)c1ccccc1)SCC(=O)NC(C)(C)C

STK562020
Synonyms: 2- [(E)- {2- [(1H- 3,1- benzimidazol- 3- ium- 2- ylsulfanyl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: O=C(CSc1[nH]c2c([nH+]1)cccc2)N/N=C/c1ccccc1[O-]

STK562022
Synonyms: (6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl4- ethoxybenzoate
Smiles: CCOc1ccc(cc1)C(=O)OCc1cc2cc(C)ccc2[nH]c1=O

STK846364
Synonyms: (5E)- 5- (phenylimino)- 5H- anthra[1,9- cd][1,2]oxazol- 6- ol
Smiles: Oc1c2/C(=N/c3ccccc3)/C=Cc3c2c(c2c1cccc2)on3

STK562030
Synonyms: N- [(2E)- 5- {2- [(2E)- 2- (4- methoxybenzylidene)hydrazinyl]- 2- oxoethyl}- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: COc1ccc(cc1)/C=N/NC(=O)Cc1n[nH]/c(=N\C(=O)c2ccccc2)/s1

STK562048
Synonyms: 3- [(5Z)- 4- oxo- 5- (pyridinium- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoate
Smiles: [O-]C(=O)CCN1C(=S)S/C(=C\c2ccc[nH+]c2)/C1=O

STK562062
Synonyms: (4E)- 4- [(2E)- (4- hydroxybenzylidene)hydrazinylidene]- 3,4- dihydropyrimidin- 2(1H)- one
Smiles: Oc1ccc(cc1)/C=N/N=c/1\cc[nH]c(=O)[nH]1

STK846377
Synonyms: 8- ethoxy- 5- methyl- 5H- [1,2,4]triazino[5,6- b]indole- 3- thiol
Smiles: CCOc1ccc2c(c1)c1nnc(nc1n2C)S

STK562097
Synonyms: 2- {[3- cyano- 4- (2,4- dichlorophenyl)- 6- hydroxy- 4,5- dihydropyridin- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)N=C(CC1c1ccc(cc1Cl)Cl)O

STK846381
Synonyms: 5- (4- chlorophenyl)- 7- (4- fluorophenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)Cl

STK562102
Synonyms:
Smiles: O=S(=O)(c1cccc2c1nsn2)NCc1ccccc1

STK846384
Synonyms: 3- fluoro- N- {2- [(2E)- 2- (2- hydroxy- 5- nitro- 3H- indol- 3- ylidene)hydrazinyl]- 2- oxoethyl}benzamide(non- preferredname)
Smiles: O=C(CNC(=O)c1cccc(c1)F)N/N=C\1/C(=Nc2c1cc(cc2)[N+](=O)[O-])O

STK562111
Synonyms: 8- bromo- 6- hydroxy- 3- methyl- 7- pentyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cn1c2nc(n(c2c(nc1=O)O)CCCCC)Br

STK562112
Synonyms: 1- benzyl- 7- cyclohexyl- 4- hydroxy- 5,5- bis(trifluoromethyl)- 5,8- dihydropyrimido[4,5- d]pyrimidin- 2(1H)- one
Smiles: FC(C1(N=C(Nc2c1c(O)nc(=O)n2Cc1ccccc1)C1CCCCC1)C(F)(F)F)(F)F

STK562114
Synonyms: (5Z)- 5- (2,4- dimethoxybenzylidene)- 2- sulfanyl- 3- [3- (trifluoromethyl)phenyl]- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: COc1ccc(c(c1)OC)/C=C/1\N=C(N(C1=O)c1cccc(c1)C(F)(F)F)S

STK562120
Synonyms: 2- (4- methylphenyl)- 1,2,4- triazaspiro[4.6]undec- 3- ene- 3- thiol
Smiles: SC1=NC2(NN1c1ccc(cc1)C)CCCCCC2

STK846385
Synonyms: (3E)- 5- bromo- 3- [(2E)- 2- [(4- ethoxyphenyl)imino]- 4- hydroxy- 1,3- thiazol- 5(2H)- ylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: CCOc1ccc(cc1)/N=C/1\N=C(/C(=C/2\C(=O)Nc3c2cc(Br)cc3)/S1)O

STK562123
Synonyms: 3- 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

STK846386
Synonyms: 2- chloro- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (propan- 2- yl)benzamide
Smiles: CC(N(C(=O)c1ccccc1Cl)Cc1cc2ccccc2[nH]c1=O)C

STK846387
Synonyms: 2,4- dimethyl- N- [(7E)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(4H)- ylidene]aniline
Smiles: Cc1ccc(c(c1)C)/N=c/1\cc(C)[nH]c2n1ncn2

STK562132
Synonyms: (4Z)- 4- {[2- (morpholin- 4- yl)quinolin- 3- yl]methylidene}- 2- sulfanyl- 4H- imidazol- 5- ol
Smiles: SC1=N/C(=C\c2cc3ccccc3nc2N2CCOCC2)/C(=N1)O

STK562137
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 1- (6- methyl- 1,3- benzothiazol- 2- yl)- 5- (4- methylphenyl)pyrrolidine- 2,3- dione
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C

STK562140
Synonyms: 2- [(4Z)- 4- (tert- butylimino)- 3,4- dihydroquinazolin- 2- yl]phenol
Smiles: Oc1ccccc1c1nc2ccccc2/c(=N/C(C)(C)C)/[nH]1

STK846391
Synonyms: 3- hydroxy- 6- (morpholin- 4- yl)- 7H- dibenzo[de,h]cinnolin- 7- one
Smiles: O=C1c2ccccc2c2c3c1c(ccc3c(nn2)O)N1CCOCC1

STK562147
Synonyms: (5Z)- 2- [(2- chlorophenyl)amino]- 5- (pyridin- 3- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1cccnc1)Nc1ccccc1Cl

STK846392
Synonyms: 5- cyclohexyl- 4- {[(E)- (5- methylthiophen- 2- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(s1)/C=N/n1c(n[nH]c1=S)C1CCCCC1

STK562159
Synonyms: (E)- {2- (4- hydroxy- 3- methoxyphenyl)- 1- [2- (morpholin- 4- ium- 4- yl)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}{4- [(2- methylbenzyl)oxy]phenyl}methanolate
Smiles: COc1cc(ccc1O)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1C)/[O-]

STK562169
Synonyms: 4- (3- bromophenyl)- 1- chloro- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinolinium- 8- carboxylate
Smiles: Brc1cccc(c1)C1[NH2+]c2ccc(cc2C2C1CC(C2Cl)Sc1ccccc1[N+](=O)[O-])C(=O)[O-]

STK846393
Synonyms: 1- (2- methoxyphenyl)- 3- [(2Z)- 5- (1- phenylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]urea
Smiles: CCC(c1n[nH]/c(=N/C(=O)Nc2ccccc2OC)/s1)c1ccccc1

STK562170
Synonyms: (E)- [2- (4- fluorophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](3- methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc[nH+]c1)/[O-]

STK846394
Synonyms: (5Z)- 1- ethyl- 5- (1H- pyrrol- 2- ylmethylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN1C(=NC(=O)/C(=C/c2[nH]ccc2)/C1=O)S

STK562175
Synonyms: {[5- (dec- 9- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}aceticacid
Smiles: C=CCCCCCCCCc1nnc([nH]1)SCC(=O)O

STK846400
Synonyms: N'- [(E)- (4- ethoxyphenyl)methylidene]- 3- (3- hydroxy- 5- methyl- 1H- pyrazol- 4- yl)propanehydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)CCc1c(C)[nH]nc1O

STK562191
Synonyms: (5E)- 6- hydroxy- 3- (4- iodophenyl)- 5- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: Ic1ccc(cc1)N1C(=O)N=C(/C(=C\NCCCN2CCOCC2)/C1=O)O

STK562202
Synonyms: (E)- [2- (4- ethoxyphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](3- methoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2cccc(c2)OC)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK562214
Synonyms: (E)- (3- methoxyphenyl)[2- (3- methoxyphenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene]methanolate
Smiles: COc1cccc(c1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1cccc(c1)OC)/[O-]

STK562227
Synonyms: (E)- [2- (4- fluorophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene](thiophen- 2- yl)methanolate
Smiles: Fc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK562228
Synonyms: 5- methyltetrazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: Cc1cc(=O)n2c(n1)[nH]nn2

STK562229
Synonyms: [(4- chlorophenyl)sulfonyl][3- (3- methyl- 1H- imidazol- 3- ium- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl]azanide
Smiles: Clc1ccc(cc1)S(=O)(=O)[N-]C1=C(n2cc[n+](c2)C)C(=O)c2c(C1=O)cccc2

STK562231
Synonyms: (E)- [4- (dimethylsulfamoyl)phenyl]{2- (furan- 2- yl)- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N(C)C)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccco1

STK846410
Synonyms: N- [N'- (4- chloro- 2,5- dimethoxyphenyl)- N- (4,6- dimethylpyrimidin- 2- yl)carbamimidoyl]acetamide
Smiles: COc1cc(Cl)c(cc1/N=C(/Nc1nc(C)cc(n1)C)\NC(=O)C)OC

STK562232
Synonyms: 6- hydroxy- 8- [(2- methoxyethyl)sulfanyl]- 3- methyl- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: C=CCn1c(SCCOC)nc2c1c(O)nc(=O)n2C

STK562236
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- phenylpyrrolidin- 3- ylidene}(4- methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCCn1cc[nH+]c1)/[O-]

STK846411
Synonyms: 3- [2- (2- methoxyphenyl)ethyl]- 4,6,6- trimethyl- 2- sulfanyl- 3,4,5,6- tetrahydropyrimidin- 4- ol
Smiles: COc1ccccc1CCN1C(=NC(CC1(C)O)(C)C)S

STK562238
Synonyms: 4- amino- 5- [(2E)- 2- (thiophen- 2- ylmethylidene)hydrazinyl]- 4H- 1,2,4- triazole- 3- thiol
Smiles: Nn1c(N/N=C/c2cccs2)nnc1S

STK846413
Synonyms: N- [(2Z)- 6- ethoxy- 1,3- benzothiazol- 2(3H)- ylidene]- 2,3- dihydro- 1- benzofuran- 2- carboxamide
Smiles: CCOc1ccc2c(c1)s/c(=N\C(=O)C1Cc3c(O1)cccc3)/[nH]2

STK562249
Synonyms: 4- ({(E)- [1- (butan- 2- yl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}amino)benzoicacid
Smiles: CCC(N1C(=NC(=O)/C(=C\Nc2ccc(cc2)C(=O)O)/C1=O)S)C

STK846414
Synonyms: (5E)- 6- hydroxy- 2- sulfanyl- 5- (3,4,5- trimethoxybenzylidene)pyrimidin- 4(5H)- one
Smiles: COc1c(OC)cc(cc1OC)/C=C/1\C(=NC(=NC1=O)S)O

STK562277
Synonyms: 2- ({(E)- [1- (4- fluorobenzyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}amino)benzoicacid
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C\Nc2ccccc2C(=O)O)/C1=O)O

STK846419
Synonyms: (4Z)- 4- {[6- methyl- 2- (morpholin- 4- yl)quinolin- 3- yl]methylidene}- 2- sulfanyl- 4H- imidazol- 5- ol
Smiles: OC1=NC(=N/C/1=C\c1cc2cc(C)ccc2nc1N1CCOCC1)S

STK562292
Synonyms: 6- hydroxy- 7- (2- methoxyethyl)- 3- methyl- 8- (3- methylpiperidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: COCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCC(C1)C

STK562297
Synonyms: 7- hydroxy- 4- (3- nitrophenyl)- 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)CSC2c1cccc(c1)[N+](=O)[O-])CC

STK562299
Synonyms: 2- ({(E)- [1- (3,4- dimethylphenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}amino)benzoicacid
Smiles: O=C1N=C(O)/C(=C\Nc2ccccc2C(=O)O)/C(=O)N1c1ccc(c(c1)C)C

STK846422
Synonyms: N- [(2E)- 6- methyl- 4,5,6,7- tetrahydro- 1,3- benzothiazol- 2(3H)- ylidene]- 2- (thiophen- 2- yl)acetamide
Smiles: CC1CCc2c(C1)s/c(=N/C(=O)Cc1cccs1)/[nH]2

STK562304
Synonyms: (5Z)- 5- (2,4- dimethoxybenzylidene)- 2- [(3,4- dimethylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccc(c(c1)OC)/C=C/1\SC(=NC1=O)Nc1ccc(c(c1)C)C

STK562313
Synonyms: N- (4- ethoxyphenyl)- 2- methyl- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]propanamide
Smiles: CCOc1ccc(cc1)N(C(=O)C(C)C)Cc1cc2cccc(c2[nH]c1=O)C

STK846425
Synonyms: 2- [(5- butyl- 5- cyclohexyl- 4- hydroxy- 5,6- dihydrobenzo[h]quinazolin- 2- yl)sulfanyl]acetamide
Smiles: CCCCC1(Cc2ccccc2c2c1c(O)nc(n2)SCC(=O)N)C1CCCCC1

STK562333
Synonyms: 3,4- dimethoxy- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methylphenyl)benzamide
Smiles: COc1cc(ccc1OC)C(=O)N(c1ccc(cc1)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK562337
Synonyms: N- [(2Z)- 1,3- benzoxazol- 2(3H)- ylidene]- 4- (thiophen- 2- yl)- 6- (trifluoromethyl)pyrimidin- 2- amine
Smiles: FC(c1nc(/N=c/2\oc3c([nH]2)cccc3)nc(c1)c1cccs1)(F)F

STK846429
Synonyms: 4- methyl- N- [(4Z)- 1- (3- methylphenyl)- 1,7- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- ylidene]aniline
Smiles: Cc1ccc(cc1)/N=c/1\nc[nH]c2c1cnn2c1cccc(c1)C

STK562350
Synonyms: 7- amino- 4- hydroxy- 2- oxo- 5- (3- phenoxyphenyl)- 1,5- dihydro- 2H- pyrano[2,3- d]pyrimidine- 6- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)Oc1ccccc1)c(O)nc(=O)[nH]2

STK846430
Synonyms: ethyl5- [(1H- 1,2,4- triazol- 5- ylsulfanyl)methyl]furan- 2- carboxylate
Smiles: CCOC(=O)c1ccc(o1)CSc1ncn[nH]1

STK562376
Synonyms: N- (2- {3- [(2- chlorobenzyl)oxy]quinoxalin- 2- yl}phenyl)acetamide
Smiles: CC(=O)Nc1ccccc1c1nc2ccccc2nc1OCc1ccccc1Cl

STK846434
Synonyms: 4- {[(E)- (5- bromothiophen- 2- yl)methylidene]amino}- 5- (furan- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccc(s1)/C=N/n1c(=S)[nH]nc1c1ccco1

STK562381
Synonyms: (E)- 1- benzofuran- 2- yl{1- [3- (dimethylammonio)propyl]- 4,5- dioxo- 2- phenylpyrrolidin- 3- ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2ccccc2)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)C

STK846435
Synonyms: N,N- diethyl- 2- [(1- ethyl- 6- hydroxy- 4- oxo- 1,4- dihydropyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCN(C(=O)CSc1nc(=O)cc(n1CC)O)CC

STK562384
Synonyms: (4E)- 1- (4,5- dimethyl- 1,3- thiazol- 2- yl)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 5- (3- hydroxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2cccc(c2)O)N(C(=O)C1=O)c1sc(c(n1)C)C)/O

STK562388
Synonyms: 5- cyano- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- N- (2- methoxyphenyl)- 2- methyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)C

STK562396
Synonyms: 4- chloro- N- (3- methylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: Cc1cccc(c1)N(C(=O)c1ccc(cc1)Cl)Cc1cc2ccccc2[nH]c1=O

STK562404
Synonyms: N- [1- (2,3- dimethoxybenzyl)- 5- methyl- 2- oxo- 4- (phenylcarbonyl)- 3- (trifluoromethyl)- 2,3- dihydro- 1H- pyrrol- 3- yl]- 3,4,5- trimethoxybenzamide
Smiles: COc1c(cccc1OC)CN1C(=C(C(C1=O)(NC(=O)c1cc(OC)c(c(c1)OC)OC)C(F)(F)F)C(=O)c1ccccc1)C

STK562406
Synonyms: (5Z)- 5- (2,4- dimethoxybenzylidene)- 2- [(2,4- dimethylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=NC1=O)Nc1ccc(cc1C)C

STK562415
Synonyms: (2E,5Z)- 2- [(3- bromophenyl)imino]- 5- (pyridin- 3- ylmethylidene)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Brc1cccc(c1)/N=C/1\N=C(/C(=C/c2cccnc2)/S1)O

STK562417
Synonyms: 2- (benzylsulfanyl)- 5- hydroxy- 7,7- dimethyl- 4- (3,4,5- trimethoxyphenyl)- 4,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)N=C2C(=C(O)CC(C2)(C)C)C1c1cc(OC)c(c(c1)OC)OC

STK562429
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 5- oxo- 4,4a,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)N=C2C(C1c1ccc(cc1)OC)C(=O)CCC2

STK562443
Synonyms: 1- (2- {[(2E)- 6- methoxy- 4- methylquinazolin- 2(1H)- ylidene]amino}- 4,6- dimethylpyrimidin- 5- yl)ethanone
Smiles: COc1ccc2c(c1)c(C)n/c(=N/c1nc(C)c(c(n1)C)C(=O)C)/[nH]2

STK562452
Synonyms: (5Z)- 5- {[1- (2- chlorobenzyl)- 2,3- dihydro- 1H- indol- 5- yl]methylidene}- 3- (3,4- dimethylphenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)/C(=O)N1c1ccc(c(c1)C)C

STK562457
Synonyms: 3- {[(2Z)- 3- {[(3,4- dimethylphenyl)sulfonyl]amino}quinoxalin- 2(1H)- ylidene]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)/N=c/1\[nH]c2ccccc2nc1NS(=O)(=O)c1ccc(c(c1)C)C

STK846451
Synonyms: 4- hydroxy- 5- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 1,3- thiazol- 2(5H)- one
Smiles: O=C(N1CCCCC1)CC1SC(=O)N=C1O

STK562461
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- [4- (prop- 2- en- 1- yloxy)phenyl]pyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK562472
Synonyms: 6- methyl- 3- [(propan- 2- ylamino)methyl]quinolin- 2(1H)- one
Smiles: CC(NCc1cc2cc(C)ccc2[nH]c1=O)C

STK562491
Synonyms: N- ethyl- 4- methoxy- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: CCN(C(=O)c1ccc(cc1)OC)Cc1cc2cc(C)ccc2[nH]c1=O

STK562492
Synonyms: 3- [(Z)- (5- hydroxy- 2- sulfanyl- 4H- imidazol- 4- ylidene)methyl]- 7- methylquinolin- 2(1H)- one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)/C=C/1\N=C(N=C1O)S

STK562496
Synonyms: 4- [5- oxo- 1- phenyl- 4- (phenylammonio)- 2,5- dihydro- 1H- pyrrol- 2- yl]phenolate
Smiles: [O-]c1ccc(cc1)C1C=C(C(=O)N1c1ccccc1)[NH2+]c1ccccc1

STK562497
Synonyms: 7- (2- chloro- 6- fluorophenyl)- 5- (4- methoxyphenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1c(F)cccc1Cl

STK562505
Synonyms: [11- (3,5- dichloro- 2- methoxyphenyl)- 1- hydroxy- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl](phenyl)methanone
Smiles: COc1c(Cl)cc(cc1C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)(C)C)Cl

STK846463
Synonyms: 1- (4- {[(4E)- 2- hydroxy- 3- nitro- 4H- chromen- 4- ylidene]amino}phenyl)ethanone
Smiles: [O-][N+](=O)c1c(O)oc2c(/c/1=N\c1ccc(cc1)C(=O)C)cccc2

STK562517
Synonyms: N- [(7E)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(4H)- ylidene]naphthalen- 2- amine
Smiles: Cc1c/c(=N\c2ccc3c(c2)cccc3)/n2c([nH]1)ncn2

STK562526
Synonyms: ethyl2- {2,5- dimethyl- 3- [(E)- (4- oxo- 2- sulfanyl- 1,3- thiazol- 5(4H)- ylidene)methyl]- 1H- pyrrol- 1- yl}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/SC(=NC1=O)S

STK562529
Synonyms: 8- {[4- (diphenylmethyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,9- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c2[nH]c(nc2c(=O)n(c1=O)C)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK562535
Synonyms: N'- [(E)- (1- butyl- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]pyridine- 4- carbohydrazide
Smiles: CCCCN1C(=NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O)S

STK846472
Synonyms: 2- (4- chlorophenyl)- N- [(2Z)- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]acetamide
Smiles: Clc1ccc(cc1)CC(=O)/N=c/1\scc([nH]1)c1ccccc1

STK562549
Synonyms: 5- {[6- hydroxy- 4- oxo- 1- (prop- 2- en- 1- yl)- 2- sulfanyl- 1,4- dihydropyrimidin- 5- yl][4- methoxy- 3- (piperidinium- 1- ylmethyl)phenyl]methyl}- 6- oxo- 3- (prop- 2- en- 1- yl)- 2- sulfanyl- 3,6- dihydropyrimidin- 4- olate
Smiles: C=CCn1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)CC=C)S)c1ccc(c(c1)C[NH+]1CCCCC1)OC

STK562563
Synonyms: 4- {[(E)- (3- bromophenyl)methylidene]amino}- 5- (pyridin- 4- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccncc1

STK562564
Synonyms: 5,5- dibutyl- 6- imino- 2- sulfanyl- 5,6- dihydropyrimidin- 4- ol
Smiles: CCCCC1(CCCC)C(=NC(=NC1=N)S)O

STK846475
Synonyms: N- [(3Z)- 5- amino- 1- phenyl- 1,2- dihydro- 3H- 1,2,4- triazol- 3- ylidene]benzamide
Smiles: O=C(c1ccccc1)/N=c\1/nc(n([nH]1)c1ccccc1)N

STK562566
Synonyms: 2- {4- methyl- 6- [(2- phenylethyl)amino]pyrimidin- 1- ium- 2- yl}phenolate
Smiles: Cc1cc(NCCc2ccccc2)[nH+]c(n1)c1ccccc1[O-]

STK562570
Synonyms: 7- butyl- 8- (cyclohexylamino)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCCn1c(NC2CCCCC2)nc2c1c(O)nc(=O)n2C

STK562574
Synonyms: 1- [6- hydroxy- 3- methyl- 2- oxo- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 2H- purin- 8- yl]piperidine- 4- carboxamide
Smiles: C=CCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)C(=O)N

STK846476
Synonyms: 2- hydroxy- 4- oxo- 1- pentyl- N'- [(E)- pyridin- 2- ylmethylidene]- 1,4- dihydroquinoline- 3- carbohydrazide
Smiles: CCCCCn1c(O)c(C(=O)N/N=C/c2ccccn2)c(=O)c2c1cccc2

STK846477
Synonyms: 7- (4- chlorophenyl)- 5- (4- fluorophenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1ccc(cc1)Cl

STK562590
Synonyms: [(4Z)- 7,7- dimethyl- 4- (phenylimino)- 2- sulfanyl- 8- oxa- 1,3- diazaspiro[4.5]dec- 2- en- 1- yl]acetonitrile
Smiles: N#CCN1C(=N/C(=N\c2ccccc2)/C21CCOC(C2)(C)C)S

STK846478
Synonyms: 4- hydroxy- 6- oxo- N- (pyrazin- 2- yl)- 1,2- dihydro- 6H- pyrrolo[3,2,1- ij]quinoline- 5- carboxamide
Smiles: O=C(c1c(O)n2CCc3c2c(c1=O)ccc3)Nc1cnccn1

STK562594
Synonyms: (5Z)- 5- [(1- methyl- 1H- pyrrol- 2- yl)methylidene]- 2- sulfanyl- 1- (3,4,5- trimethoxyphenyl)pyrimidine- 4,6(1H,5H)- dione
Smiles: COc1cc(cc(c1OC)OC)N1C(=NC(=O)/C(=C/c2cccn2C)/C1=O)S

STK562599
Synonyms: 7- benzyl- 8- (4- benzylpiperazin- 1- yl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cn1c(=O)nc(c2c1nc(n2Cc1ccccc1)N1CCN(CC1)Cc1ccccc1)O

STK846480
Synonyms: 2- [(4- hydroxy- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (2- hydroxyethyl)acetamide
Smiles: OCCNC(=O)CSc1nc(O)c2c(n1)sc1c2CCC1

STK562605
Synonyms: ethyl4- [(1,3- dimethyl- 2,6- dioxo- 2,3,6,9- tetrahydro- 1H- purin- 8- yl)methyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1nc2c([nH]1)n(C)c(=O)n(c2=O)C

STK562612
Synonyms: (2- {(E)- [1- (2- fluorophenyl)- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1ccccc1/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1F)O

STK562617
Synonyms: 2- [(1E)- 1- (2- {[(4- methyl- 4H- 1,2,4- triazol- 2- ium- 3- yl)sulfanyl]acetyl}hydrazinylidene)ethyl]phenolate
Smiles: O=C(CSc1[nH+]ncn1C)N/N=C(/c1ccccc1[O-])\C

STK562618
Synonyms: (5Z)- 2- [(2,4- dimethylphenyl)amino]- 5- (thiophen- 2- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Cc1ccc(c(c1)C)NC1=NC(=O)/C(=C/c2cccs2)/S1

STK562619
Synonyms: 1- (2- fluorophenyl)- 3- [(2Z)- 5- (1- phenylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]urea
Smiles: CCC(c1n[nH]/c(=N/C(=O)Nc2ccccc2F)/s1)c1ccccc1

STK562623
Synonyms: N- [(2Z)- 6- bromo- 4- (2- chlorophenyl)quinazolin- 2(3H)- ylidene]- 3- methylaniline
Smiles: Cc1cccc(c1)/N=c/1\nc2ccc(cc2c([nH]1)c1ccccc1Cl)Br

STK562630
Synonyms: (E)- 2,3- dihydro- 1,4- benzodioxin- 6- yl[2- (2- fluorophenyl)- 4,5- dioxo- 1- (pyridinium- 3- ylmethyl)pyrrolidin- 3- ylidene]methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)Cc1ccc[nH+]c1)/c1ccc2c(c1)OCCO2

STK562632
Synonyms: 7- (2- ethoxyethyl)- 6- hydroxy- 3- methyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCOCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCC1

STK562634
Synonyms: N- butyl- N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]tetrahydrofuran- 2- carboxamide
Smiles: CCCCN(C(=O)C1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O

STK562639
Synonyms: {[4- (acetylamino)phenyl]sulfonyl}{3- [3- (prop- 2- en- 1- yl)- 1H- imidazol- 3- ium- 1- yl]quinoxalin- 2- yl}azanide
Smiles: C=CC[n+]1ccn(c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(cc1)NC(=O)C

STK846489
Synonyms: 4- bromo- N- [(2Z)- 6- chloro- 4- phenylquinazolin- 2(3H)- ylidene]aniline
Smiles: Brc1ccc(cc1)/N=c/1\nc2ccc(cc2c([nH]1)c1ccccc1)Cl

STK562642
Synonyms: 2- hydroxy- N'- {(E)- [1- (2- methoxyphenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}benzohydrazide
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2O)/C1=O)S

STK846494
Synonyms: ethyl(2,4- dihydroxyquinolin- 3- yl)acetate
Smiles: CCOC(=O)Cc1c(O)nc2c(c1O)cccc2

STK562668
Synonyms: 2- hydroxy- 3,4- dihydroquinoline- 4- carboxylicacid
Smiles: OC1=Nc2ccccc2C(C1)C(=O)O

STK846498
Synonyms: 1- [(2E)- 5- {2- [(4- chlorobenzyl)sulfanyl]phenyl}- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (2- methoxyphenyl)urea
Smiles: COc1ccccc1NC(=O)/N=c/1\[nH]nc(s1)c1ccccc1SCc1ccc(cc1)Cl

STK562682
Synonyms: (7E)- 7- [(4- methylphenyl)iminio]- 4- nitrocyclohepta- 1,3,5- trien- 1- olate
Smiles: Cc1ccc(cc1)/[NH+]=c/1\ccc(ccc1[O-])[N+](=O)[O-]

STK846499
Synonyms: 3,5- diethyl- 5- methyl- 2- sulfanyl- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)S)CC

STK562695
Synonyms: (E)- (4- methoxyphenyl)[2- (3- nitrophenyl)- 4,5- dioxo- 1- (pyridinium- 2- yl)pyrrolidin- 3- ylidene]methanolate
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1cccc[nH+]1)/[O-]

STK562709
Synonyms: 5- [(2E)- 3- phenylprop- 2- en- 1- yl]- 2- sulfanylpyrimidine- 4,6- diol
Smiles: Sc1nc(O)c(c(n1)O)C/C=C/c1ccccc1

STK562710
Synonyms: 6- (ethylsulfonyl)- 3- [(Z)- 2- hydroxy- 2- (4- methoxyphenyl)ethenyl]- 2H- 1,4- benzoxazin- 2- one
Smiles: COc1ccc(cc1)/C(=C/c1nc2cc(ccc2oc1=O)S(=O)(=O)CC)/O

STK562716
Synonyms: N- methyl- 2- (4- {[(1E)- 4- [4- methyl- 3- (methylsulfamoyl)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)NC)C

STK562724
Synonyms: (5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C/c2nc3c([nH]2)cccc3)/C1=O)O

STK562726
Synonyms: (5E)- 1- [2- (4- fluorophenyl)ethyl]- 2- hydroxy- 5- (2,3,4- trimethoxybenzylidene)pyrimidine- 4,6(1H,5H)- dione
Smiles: COc1c(ccc(c1OC)OC)/C=C/1\C(=O)N=C(N(C1=O)CCc1ccc(cc1)F)O

STK562727
Synonyms: 2,4- dihydroxy- N- [2- (morpholin- 4- yl)ethyl]- 5,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)nc2c(c1O)CCCC2)NCCN1CCOCC1

STK562729
Synonyms: (6Z)- 6- [(4- methoxyphenyl)imino]- 4- (piperidin- 1- ylmethyl)- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccc(cc1)/N=c/1\nc(CN2CCCCC2)nc([nH]1)N

STK562736
Synonyms: 11- (1H- benzimidazol- 2- yl)- 3,3,7,8- tetramethyl- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: OC1=C2C(=Nc3c(NC2c2nc4c([nH]2)cccc4)cc(c(c3)C)C)CC(C1)(C)C

STK562739
Synonyms: (3Z)- 1- methyl- 3- (4- oxo- 2- sulfanyl- 1,3- thiazol- 5(4H)- ylidene)- 1,3- dihydro- 2H- indol- 2- one
Smiles: SC1=NC(=O)/C(=C/2\c3ccccc3N(C2=O)C)/S1

STK562744
Synonyms: 7- (2- chlorophenyl)- 2- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(=N1)[nH]c(n2)c1ccc(cc1)Cl)c1ccccc1Cl

STK562746
Synonyms: (2- oxo- 1,2- dihydroquinolin- 3- yl)methyl4- nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])OCc1cc2ccccc2[nH]c1=O

STK846513
Synonyms: 6- bromo- 3- (diethylamino)- 4- phenylquinolin- 2- ol
Smiles: CCN(c1c(O)nc2c(c1c1ccccc1)cc(cc2)Br)CC

STK562759
Synonyms: 4- (3,4- dimethoxyphenyl)- 2- hydroxy- 6- methylpyridine- 3- carbonitrile
Smiles: COc1cc(ccc1OC)c1cc(C)nc(c1C#N)O

STK562771
Synonyms: 1,5- dibutyl- 1,5- dimethyl- 1H,5H- [1,2,4]triazolo[1,2- a][1,2,4]triazole- 3,7- dithiol
Smiles: CCCCC1(C)N=C(N2N1C(=NC2(C)CCCC)S)S

STK562777
Synonyms: 2- {(E)- [2- (1,3- benzothiazol- 3- ium- 2- yl)hydrazinylidene]methyl}benzoate
Smiles: [O-]C(=O)c1ccccc1/C=N/Nc1sc2c([nH+]1)cccc2

STK846524
Synonyms: 2- [(2E)- 1,3- benzothiazol- 2(3H)- ylideneamino]- 5,6,7,8- tetrahydroquinazolin- 4(1H)- one
Smiles: O=c1nc(/N=c\2/sc3c([nH]2)cccc3)[nH]c2c1CCCC2

STK562782
Synonyms: (1E,2E)- 1- [4,5- dioxo- 1- (pyridinium- 2- yl)- 2- (pyridin- 3- yl)pyrrolidin- 3- ylidene]- 3- phenylprop- 2- en- 1- olate
Smiles: [O-]/C(=C/1\C(c2cccnc2)N(C(=O)C1=O)c1cccc[nH+]1)/C=C/c1ccccc1

STK562784
Synonyms: (E)- [2- (4- fluorophenyl)- 4,5- dioxo- 1- (pyrimidin- 1- ium- 2- yl)pyrrolidin- 3- ylidene](5- methylfuran- 2- yl)methanolate
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1c1nccc[nH+]1

STK562793
Synonyms: 2,2- dimethyl- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (3- methylphenyl)propanamide
Smiles: Cc1cccc(c1)N(C(=O)C(C)(C)C)Cc1cc2cccc(c2[nH]c1=O)C

STK562811
Synonyms: N,N'- benzene- 1,2- diylbis[2- (4- hydroxy- 2- oxo- 2,5- dihydro- 1,3- thiazol- 5- yl)acetamide]
Smiles: O=C(Nc1ccccc1NC(=O)CC1SC(=O)N=C1O)CC1SC(=O)N=C1O

STK562812
Synonyms: (E)- [2- (3- chlorophenyl)- 4,5- dioxo- 1- (pyrimidin- 1- ium- 2- yl)pyrrolidin- 3- ylidene](furan- 2- yl)methanolate
Smiles: Clc1cccc(c1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1c1nccc[nH+]1

STK562829
Synonyms: (5Z)- 2- [(4- fluorophenyl)amino]- 5- (1H- indol- 3- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1ccc(cc1)NC1=NC(=O)/C(=C/c2c[nH]c3c2cccc3)/S1

STK846530
Synonyms: N'- [(E)- (3- methyl- 5- oxo- 1- phenyl- 4,5- dihydro- 1H- pyrazol- 4- yl)methylidene]- 2,3- dihydro- 1,4- benzodioxine- 2- carbohydrazide
Smiles: O=C(C1COc2c(O1)cccc2)N/N=C/C1C(=NN(C1=O)c1ccccc1)C

STK562839
Synonyms: N'- [(E)- (3- ethoxy- 4- hydroxyphenyl)methylidene]- 3- (3- hydroxy- 5- methyl- 1H- pyrazol- 4- yl)propanehydrazide
Smiles: CCOc1cc(/C=N/NC(=O)CCc2c(C)[nH]nc2O)ccc1O

STK562848
Synonyms: 5- (furan- 2- yl)- 4- {[(E)- furan- 2- ylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccco1)c1ccco1

STK562849
Synonyms: (E)- 1- benzofuran- 2- yl{1- [3- (diethylammonio)propyl]- 2- (5- methylfuran- 2- yl)- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: CC[NH+](CCCN1C(c2ccc(o2)C)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)CC

STK846535
Synonyms: 7- methyl- 2- (3- methylbutyl)- 1,2,4- triazaspiro[4.5]dec- 3- ene- 3- thiol
Smiles: CC(CCN1NC2(N=C1S)CCCC(C2)C)C

STK846536
Synonyms: 4- {[(E)- (3- bromophenyl)methylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1cccc(c1)/C=N/n1c(COc2ccccc2)n[nH]c1=S

STK562862
Synonyms: (E)- {1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxo- 2- [4- (propan- 2- yloxy)phenyl]pyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)C

STK846537
Synonyms: N- [(4E)- 6- methyl- 2- phenyl- 5- (prop- 2- en- 1- yl)pyrimidin- 4(3H)- ylidene]aniline
Smiles: C=CCc1c(C)nc([nH]/c/1=N/c1ccccc1)c1ccccc1

STK562866
Synonyms: 6- hydroxy- 8- [(3- hydroxypropyl)sulfanyl]- 3- methyl- 7- (3- methylbenzyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCCSc1nc2c(n1Cc1cccc(c1)C)c(O)nc(=O)n2C

STK562876
Synonyms: 4- (furan- 2- yl)- 2- hydroxy- 6- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(O)nc(cc1c1ccco1)c1ccccc1

STK846541
Synonyms: N- (3- fluorobenzyl)- 4- hydroxy- 6- oxo- 1,2- dihydro- 6H- pyrrolo[3,2,1- ij]quinoline- 5- carboxamide
Smiles: Fc1cccc(c1)CNC(=O)c1c(=O)c2cccc3c2n(c1O)CC3

STK562880
Synonyms: 6- methyl- 3- {(E)- [(2- methylphenyl)imino]methyl}quinolin- 2(1H)- one
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)/C=N/c1ccccc1C

STK562882
Synonyms: 4- {[(E)- (4- methylphenyl)methylidene]amino}- 5- (pyridin- 4- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccncc1

STK562883
Synonyms: 1- (2,4- dichlorophenyl)- 3- [(2Z)- 5- (propylsulfanyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]urea
Smiles: CCCSc1n[nH]/c(=N/C(=O)Nc2ccc(cc2Cl)Cl)/s1

STK562885
Synonyms: 2- {[(E)- (1- cyclopropyl- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]amino}benzoicacid
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/Nc1ccccc1C(=O)O)C1CC1

STK562892
Synonyms: 3- amino- 2- (diphenylcarbamoyl)- 6- hydroxythieno[2,3- b]pyridine- 5- carboxylicacid
Smiles: O=C(c1sc2c(c1N)cc(c(n2)O)C(=O)O)N(c1ccccc1)c1ccccc1