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

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STK540602
Synonyms: N'- [(E)- (2,4- dihydroxyphenyl)methylidene]- 2- methylquinoline- 4- carbohydrazide
Smiles: Oc1ccc(c(c1)O)/C=N/NC(=O)c1cc(C)nc2c1cccc2

STK840563
Synonyms: (2E)- 2- (2- hydroxybenzylidene)- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)hydrazinecarboxamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)N/N=C/c1ccccc1O

STK540611
Synonyms: 3- bromo- N- (3,4- dimethoxybenzyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: COc1cc(CNC(=O)c2coc(=O)c(c2)Br)ccc1OC

STK540612
Synonyms: 2,5- bis[(tert- butylamino)methyl]- 1,6- bis(4- propoxyphenyl)hexane- 1,6- dione
Smiles: CCCOc1ccc(cc1)C(=O)C(CNC(C)(C)C)CCC(C(=O)c1ccc(cc1)OCCC)CNC(C)(C)C

STK540617
Synonyms: 4- {[7- (4- chlorophenyl)- 5- methyl- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]amino}- 4- oxobutanoicacid
Smiles: O=C(Nc1nn2c(n1)NC(=CC2c1ccc(cc1)Cl)C)CCC(=O)O

STK540618
Synonyms: 3,6- diamino- N- (1,3- benzodioxol- 5- yl)- 5- cyanothieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)Nc1ccc2c(c1)OCO2

STK540620
Synonyms: 1- (2,6- dimethyl- 1H- indol- 3- yl)- 2- [4- (4- nitrophenyl)piperazin- 1- yl]ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])C

STK540621
Synonyms: methyl3- [(5,6- dihydro- 1,4- dioxin- 2- ylcarbonyl)amino]- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1=COCCO1)cc(cc2)C

STK540624
Synonyms: 6- [2- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)OCCO2

STK540626
Synonyms: 5- amino- 1- (4- methoxyphenyl)- 2- (3- nitrophenyl)- 1,2- dihydro- 3H- pyrrole- 3,3,4- tricarbonitrile
Smiles: COc1ccc(cc1)N1C(=C(C(C1c1cccc(c1)[N+](=O)[O-])(C#N)C#N)C#N)N

STK840571
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2,8- dimethyl- 4- oxo- 4H- chromen- 7- ylthiophene- 2- carboxylate
Smiles: O=C(c1cccs1)Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C

STK840573
Synonyms: N- {[2- (furan- 2- ylcarbonyl)hydrazinyl]carbonothioyl}pyridine- 3- carboxamide
Smiles: S=C(NC(=O)c1cccnc1)NNC(=O)c1ccco1

STK540630
Synonyms: 1- ethyl- 6- fluoro- 4- oxo- 7- (4- pentanoylpiperazin- 1- yl)- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK840577
Synonyms: 3- (ethoxycarbonyl)- 2- (4- methoxyphenyl)- 1- benzofuran- 5- ylmorpholine- 4- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)N1CCOCC1)c1ccc(cc1)OC

STK540635
Synonyms: 4- [(E)- (quinolin- 6- ylimino)methyl]benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)/C=N/c1ccc2c(c1)cccn2

STK540636
Synonyms: N'- [(E)- (1- ethyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)Cn1ncnc1)C

STK540643
Synonyms: N'- [(E)- (3- phenoxyphenyl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccc(c1)Oc1ccccc1

STK540646
Synonyms: 8- ethyl- 2- (4- {[(4- fluorophenyl)carbonyl]carbamothioyl}piperazin- 1- yl)- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1ccc(cc1)F

STK840585
Synonyms: ethyl2- tert- butyl- 5- (2- ethoxy- 2- oxoethoxy)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)COc1ccc2c(c1)c(C(=O)OCC)c(o2)C(C)(C)C

STK840586
Synonyms: 1,3- dimethyl- 7- (2- phenylethyl)- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCc1ccccc1)c(n2)N1CCCC1

STK840588
Synonyms: 7- (2,3- dihydroxypropyl)- 8- hydrazinyl- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCC(Cn1c(NN)nc2c1c(=O)n(C)c(=O)n2C)O

STK840590
Synonyms: ethyl5- [(3- cyclopentylpropanoyl)oxy]- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)CCC1CCCC1)c1ccc(cc1)OC

STK540661
Synonyms: ethyl(3,3- dimethylbut- 1- yn- 1- yl)(1- hydroxycyclohexyl)phosphinate
Smiles: CCOP(=O)(C1(O)CCCCC1)C#CC(C)(C)C

STK540662
Synonyms: N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 2- cyclopropylquinoline- 4- carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1)O

STK840594
Synonyms: 7- hydroxy- 1,3- dimethyl- 9- (4- methylphenyl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: OC1CN(c2ccc(cc2)C)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)C

STK540663
Synonyms: N- {4- [3- acetyl- 2- (4- bromophenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(c2ccc(cc2)Br)C(=C(C1=O)O)C(=O)C

STK540664
Synonyms: 2- [2- (2- hydroxyethyl)piperidin- 1- yl]- 1- (2- methyl- 1H- indol- 3- yl)ethanone
Smiles: OCCC1CCCCN1CC(=O)c1c(C)[nH]c2c1cccc2

STK840600
Synonyms: ethyl6- bromo- 2- methyl- 5- {[4- (trifluoromethyl)benzyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)C(F)(F)F)c(c2)Br

STK540669
Synonyms: 7- [3- (2,4- dichlorophenoxy)- 2- hydroxypropyl]- 8- {[2- (diethylamino)ethyl]amino}- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccc(cc1Cl)Cl)O)c(=O)[nH]c(=O)n2C)CC

STK540680
Synonyms: N'- [(E)- (3- bromo- 4- hydroxy- 5- methoxyphenyl)methylidene]- 2- [4- (1H- tetrazol- 1- yl)phenoxy]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)COc2ccc(cc2)n2cnnn2)cc(c1O)Br

STK540682
Synonyms: 3- amino- N- cyclopropyl- 6- (3- methoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NC1CC1

STK540684
Synonyms: methyl5- chloro- 3- [(thiophen- 2- ylcarbonyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccs1)cc(cc2)Cl

STK540687
Synonyms: N'- [(E)- (3- phenoxyphenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cccc(c1)Oc1ccccc1

STK840609
Synonyms: ethyl2- tert- butyl- 5- {[(3- nitrophenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK540693
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (5- phenyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cn[nH]c1c1ccccc1

STK540695
Synonyms: N- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)- N'- methylethanediamide
Smiles: CNC(=O)C(=O)Nc1c(=O)[nH]c2c(c1O)cccc2

STK540699
Synonyms: 2- (5- bromothiophen- 2- yl)- 4,5- diphenyl- 1H- imidazole
Smiles: Brc1ccc(s1)c1nc(c([nH]1)c1ccccc1)c1ccccc1

STK840616
Synonyms: 8- (butylamino)- 3- methyl- 7- (2- methylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCNc1nc2c(n1CC(C)C)c(=O)[nH]c(=O)n2C

STK840617
Synonyms: N- butyl- 1- phenylcyclopentanecarboxamide
Smiles: CCCCNC(=O)C1(CCCC1)c1ccccc1

STK840619
Synonyms: 3- methyl- 7- (2- methylprop- 2- en- 1- yl)- 8- (morpholin- 4- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=C)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1

STK840621
Synonyms: 7- (4- fluorobenzyl)- 1,3- dimethyl- 8- (prop- 2- en- 1- ylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCNc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C

STK540708
Synonyms: N'- [(E)- (5- bromo- 2,4- dimethoxyphenyl)methylidene]- 2- [4- (1H- tetrazol- 1- yl)phenoxy]acetohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)COc1ccc(cc1)n1cnnn1)Br

STK540711
Synonyms: 5- ethyl- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c]isoquinolin- 1- amine
Smiles: CCc1nc2[nH]nc(c2c2c1CCCC2)N

STK540713
Synonyms: 1- (2,6- dimethyl- 1H- indol- 3- yl)- 2- [2- (2- hydroxyethyl)piperidin- 1- yl]ethanone
Smiles: OCCC1CCCCN1CC(=O)c1c(C)[nH]c2c1ccc(c2)C

STK540715
Synonyms: 6- [9- bromo- 2- (4- methoxyphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccc(c(c1C(=O)O)OC)OC

STK540722
Synonyms: 3- (8- bromo- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)propanenitrile
Smiles: N#CCCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK540724
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- pyridin- 3- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cccnc1

STK540725
Synonyms: 7- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (diphenylmethyl)heptanamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540726
Synonyms: (3Z)- 3- [2- (2,5- dimethoxyphenyl)- 2- oxoethylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: COc1ccc(c(c1)C(=O)/C=C/1\C(=O)Nc2c1cccc2)OC

STK540729
Synonyms: 3,6- diamino- 5- cyano- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)NC12CC3CC(C2)CC(C1)C3

STK540731
Synonyms: N'- [(E)- (3- fluorophenyl)methylidene]- 6- oxo- 1,6- dihydropyridazine- 3- carbohydrazide
Smiles: Fc1cccc(c1)/C=N/NC(=O)c1ccc(=O)[nH]n1

STK540734
Synonyms: ethyl5- methoxy- 3- [(phenylcarbonyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1)cc(cc2)OC

STK540739
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- furan- 2- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccco1

STK540743
Synonyms: 3- (3- acetyl- 4- hydroxy- 5- oxo- 2- phenyl- 2,5- dihydro- 1H- pyrrol- 1- yl)propanoicacid
Smiles: OC(=O)CCN1C(c2ccccc2)C(=C(C1=O)O)C(=O)C

STK840638
Synonyms: ethyl4- hydroxy- 2- oxo- 4,6- diphenylcyclohexanecarboxylate
Smiles: CCOC(=O)C1C(=O)CC(CC1c1ccccc1)(O)c1ccccc1

STK840640
Synonyms: 7- hydroxy- 1,3- dimethyl- 9- phenyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: OC1CN(c2ccccc2)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)C

STK840642
Synonyms: 7- [(pentafluorobenzyl)oxy]- 3- (quinolin- 2- yl)- 2H- chromen- 2- one
Smiles: O=c1oc2cc(OCc3c(F)c(F)c(c(c3F)F)F)ccc2cc1c1ccc2c(n1)cccc2

STK840643
Synonyms: 7- hexyl- 1,3- dimethyl- 8- (methylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(NC)nc2c1c(=O)n(C)c(=O)n2C

STK840644
Synonyms: 2- [(3- cyano- 4,6- dimethylpyridin- 2- yl)sulfanyl]- N- (1- phenylethyl)acetamide
Smiles: N#Cc1c(C)cc(nc1SCC(=O)NC(c1ccccc1)C)C

STK540755
Synonyms: N'- [(E)- (3- hydroxyphenyl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccc(c1)O

STK840647
Synonyms: 7- [(pentafluorobenzyl)oxy]- 3- (pyridin- 2- yl)- 2H- chromen- 2- one
Smiles: O=c1oc2cc(OCc3c(F)c(F)c(c(c3F)F)F)ccc2cc1c1ccccn1

STK540760
Synonyms: ethyl1- (4- bromophenyl)- 4- ethoxy- 1,4,5,6- tetrahydrofuro[3,2- e][1,2,4]diazaphosphinine- 3- carboxylate4- oxide
Smiles: CCOC(=O)C1=NN(c2ccc(cc2)Br)C2=C(P1(=O)OCC)CCO2

STK840651
Synonyms: 1- (furan- 2- ylmethyl)- 3- (2,2,2- trifluoroethyl)urea
Smiles: O=C(NCc1ccco1)NCC(F)(F)F

STK540771
Synonyms: 8,8'- sulfanediylbis[7- (4- fluorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione]
Smiles: Fc1ccc(cc1)Cn1c(Sc2nc3c(n2Cc2ccc(cc2)F)c(=O)n(c(=O)n3C)C)nc2c1c(=O)n(c(=O)n2C)C

STK840652
Synonyms: methyl6- bromo- 5- [(3- fluorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)F)c(c2)Br

STK540777
Synonyms: methyl3- [(3,4- dihydroisoquinolin- 2(1H)- ylacetyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1)cccc3)cccc2

STK540778
Synonyms: 2- [(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- [(1E)- 1- phenylethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C(/c1ccccc1)\C

STK540780
Synonyms: 3- (4- chlorophenyl)- 2- [(4,6- dimethylpyrimidin- 2- yl)amino]- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Clc1ccc(cc1)N1C(=O)CN=C1Nc1nc(C)cc(n1)C

STK540781
Synonyms: 6- [2- (2,4- dimethoxyphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(c(c1)OC)C1=NN2C(C1)c1ccccc1OC2c1ccc(c(c1C(=O)O)OC)OC

STK840654
Synonyms: 7- hexyl- 1,3- dimethyl- 8- (prop- 2- en- 1- ylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(NCC=C)nc2c1c(=O)n(C)c(=O)n2C

STK540783
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (2- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccccc1C

STK840656
Synonyms: 2- (4- nitrophenyl)- N- (pyridin- 3- ylmethyl)quinazolin- 4- amine
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc(NCc2cccnc2)c2c(n1)cccc2

STK540786
Synonyms: 3- {[(E)- phenylmethylidene]amino}- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1

STK540787
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 1- (5- ethyl- 2- hydroxy- 4- methoxyphenyl)ethanone
Smiles: CCc1cc(C(=O)Cc2nc3c(s2)cccc3)c(cc1OC)O

STK540791
Synonyms: tetraethyl1,8- bis(acetylamino)octane- 1,1,8,8- tetracarboxylate
Smiles: CCOC(=O)C(C(=O)OCC)(NC(=O)C)CCCCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

STK540793
Synonyms: N'- {(E)- [2- (benzyloxy)phenyl]methylidene}- 2- cyclopropylquinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1ccccc1OCc1ccccc1

STK840659
Synonyms: 2- {3- [(1E)- 2- cyano- 3- oxo- 3- (pyrrolidin- 1- yl)prop- 1- en- 1- yl]- 1H- indol- 1- yl}- N- (furan- 2- ylmethyl)acetamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CC(=O)NCc1ccco1)/C(=O)N1CCCC1

STK840660
Synonyms: ethyl5- [(2- chloro- 4- fluorobenzyl)oxy]- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1Cl)F)cc2)c1ccc(cc1)OC

STK540801
Synonyms: N- (2,6- dimethylphenyl)- 7- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)heptanamide
Smiles: O=C(Nc1c(C)cccc1C)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540802
Synonyms: ethyl2- tert- butyl- 5- {[(2- methylphenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1ccccc1C

STK540808
Synonyms: 2- {[5- (3- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (5- methylfuran- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccc(o1)C

STK540813
Synonyms: N'- [(E)- (2,4- dimethoxyphenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)CSc1ccccn1

STK840664
Synonyms: methyl6- bromo- 5- (3,3- dimethyl- 2- oxobutoxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(OCC(=O)C(C)(C)C)c(c2)Br

STK840668
Synonyms: ethyl6- bromo- 5- [(2- chloro- 4- fluorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1Cl)F)c(c2)Br

STK840670
Synonyms: ethyl6- bromo- 2- tert- butyl- 5- hydroxy- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(O)c(cc2oc1C(C)(C)C)Br

STK840671
Synonyms: N- cyclohexyl- 7- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)heptanamide
Smiles: O=C(NC1CCCCC1)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540837
Synonyms: 4- (4- cyclohexyl- 4,4- diphenylbut- 2- yn- 1- yl)morpholine
Smiles: C1CCC(CC1)C(c1ccccc1)(c1ccccc1)C#CCN1CCOCC1

STK840675
Synonyms: 2- (2- {4- [(2E)- 3- (naphthalen- 1- yl)prop- 2- enoyl]piperazin- 1- yl}ethyl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: O=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)/C=C/c1cccc2c1cccc2

STK540841
Synonyms: 2- (3,4- dimethoxyphenyl)- N'- [(3E)- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]acetohydrazide
Smiles: COc1cc(ccc1OC)CC(=O)N/N=C/1\c2ccccc2N(C1=O)CN1CCCCC1c1cccnc1

STK840680
Synonyms: 7- [(2,4- difluorobenzyl)oxy]- 3- (pyridin- 2- yl)- 2H- chromen- 2- one
Smiles: Fc1ccc(c(c1)F)COc1ccc2c(c1)oc(=O)c(c2)c1ccccn1

STK840681
Synonyms: 4- chloro- 6- hydrazinyl- 2- (methylsulfanyl)- 5- (4- propoxybenzyl)pyrimidine
Smiles: CCCOc1ccc(cc1)Cc1c(Cl)nc(nc1NN)SC

STK840682
Synonyms: 3- methyl- 8- [(4- methylbenzyl)sulfanyl]- 7- pentyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCn1c(SCc2ccc(cc2)C)nc2c1c(=O)[nH]c(=O)n2C

STK540853
Synonyms: methyl4- {[2- amino- 5- cyano- 6- (methylsulfanyl)pyrimidin- 4- yl]sulfanyl}- 3- oxobutanoate
Smiles: COC(=O)CC(=O)CSc1nc(N)nc(c1C#N)SC

STK540857
Synonyms: 1,6- bis(4- butoxyphenyl)- 2,5- bis[(tert- butylamino)methyl]hexane- 1,6- dione
Smiles: CCCCOc1ccc(cc1)C(=O)C(CNC(C)(C)C)CCC(C(=O)c1ccc(cc1)OCCCC)CNC(C)(C)C

STK540859
Synonyms: (2Z)- 3- (4- chlorophenyl)- 2- [(2E)- (3,3,5- trimethylcyclohexylidene)hydrazinylidene]- 1,3- thiazolidin- 4- one
Smiles: CC1C/C(=N\N=C\2/SCC(=O)N2c2ccc(cc2)Cl)/CC(C1)(C)C

STK840691
Synonyms: 2- methoxyethyl6- bromo- 5- [(2- chloro- 6- fluorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1c(F)cccc1Cl)c(c2)Br

STK840692
Synonyms: ethyl2- (4- methoxyphenyl)- 5- {[(2- methylphenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccccc1C)c1ccc(cc1)OC

STK840693
Synonyms: ethyl5- [(2- bromobenzyl)oxy]- 2- tert- butyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccccc3Br)ccc2oc1C(C)(C)C

STK540864
Synonyms: ethyl2- (4- methoxyphenyl)- 5- {[(4- nitrophenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)OC

STK540865
Synonyms: (2E)- 4- oxo- 4- {[1- (phenylcarbonyl)- 1,2,3,4- tetrahydroquinolin- 6- yl]amino}but- 2- enoicacid
Smiles: OC(=O)/C=C/C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1

STK540867
Synonyms: N- [(3- cyano- 4,5,6,7,8,9- hexahydrocycloocta[b]thiophen- 2- yl)carbamothioyl]pyridine- 3- carboxamide
Smiles: N#Cc1c(NC(=S)NC(=O)c2cccnc2)sc2c1CCCCCC2

STK540868
Synonyms: 2- methoxyethyl6- bromo- 2- methyl- 5- [(pentafluorobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1c(F)c(F)c(c(c1F)F)F)c(c2)Br

STK540890
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (5- bromo- 2- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)Cn1nnc(n1)N)Br

STK540892
Synonyms: N'- {(E)- [2- hydroxy- 3- (prop- 2- en- 1- yl)phenyl]methylidene}- 2- (morpholin- 4- yl)- 2- (pyridin- 4- yl)acetohydrazide
Smiles: C=CCc1cccc(c1O)/C=N/NC(=O)C(c1ccncc1)N1CCOCC1

STK840701
Synonyms: ethyl6- bromo- 2- tert- butyl- 5- [(2- fluorobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccccc3F)c(cc2oc1C(C)(C)C)Br

STK540894
Synonyms: 6- [9- bromo- 2- (4- fluorophenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)F)Br

STK540899
Synonyms: 3- amino- 6- (3- methoxyphenyl)- N- [2- (4- methoxyphenyl)ethyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(cc1)CCNC(=O)c1sc2c(c1N)ccc(n2)c1cccc(c1)OC

STK540901
Synonyms: methyl3- {[(2,6- dimethylmorpholin- 4- yl)acetyl]amino}- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CC(C)OC(C1)C)cc(c(c2)OC)OC

STK540903
Synonyms: (2E)- 3- (naphthalen- 1- yl)- 1- (4- phenylpiperazin- 1- yl)prop- 2- en- 1- one
Smiles: O=C(N1CCN(CC1)c1ccccc1)/C=C/c1cccc2c1cccc2

STK840710
Synonyms: 1,3- dimethyl- 8- (piperidin- 1- yl)- 7- (propan- 2- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2C(C)C)N1CCCCC1

STK540904
Synonyms: 1- ethyl- 6- fluoro- 7- (4- heptanoylpiperazin- 1- yl)- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK540906
Synonyms: 2,5- dichloro- 4,4- dimethoxy- 3- (morpholin- 4- yl)- 5- (prop- 2- en- 1- yl)cyclopent- 2- en- 1- one
Smiles: C=CCC1(Cl)C(=O)C(=C(C1(OC)OC)N1CCOCC1)Cl

STK840712
Synonyms: ethyl5- (2- tert- butoxy- 2- oxoethoxy)- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)OC(C)(C)C)cc2)c1ccc(cc1)OC

STK540917
Synonyms: 2- {3- [(Z)- (1- ethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]- 2,5- dimethyl- 1H- pyrrol- 1- yl}- 4,5- dimethylthiophene- 3- carbonitrile
Smiles: CCN1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2sc(c(c2C#N)C)C)C)/C1=O

STK540919
Synonyms: 2- tert- butyl- 5- [(2- methylprop- 2- en- 1- yl)oxy]- 1- benzofuran- 3- carboxylicacid
Smiles: CC(=C)COc1ccc2c(c1)c(C(=O)O)c(o2)C(C)(C)C

STK540920
Synonyms: N- [(prop- 2- yn- 1- yloxy)methyl]- 2- (pyridin- 4- ylcarbonyl)hydrazinecarbothioamide
Smiles: C#CCOCNC(=S)NNC(=O)c1ccncc1

STK540926
Synonyms: 3- amino- 6- (3,4- dimethoxyphenyl)- N- [2- (4- methoxyphenyl)ethyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(cc1)CCNC(=O)c1sc2c(c1N)ccc(n2)c1ccc(c(c1)OC)OC

STK540928
Synonyms: 2- (2- {4- [(4- methoxy- 3- nitrophenyl)sulfonyl]piperazin- 1- yl}ethyl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK840717
Synonyms: N- (4- acetylphenyl)- 1- phenylcyclopentanecarboxamide
Smiles: O=C(C1(CCCC1)c1ccccc1)Nc1ccc(cc1)C(=O)C

STK840718
Synonyms: 8- methoxy- 2- methyl- 3- (morpholin- 4- ylmethyl)quinolin- 4(1H)- one
Smiles: COc1cccc2c1[nH]c(C)c(c2=O)CN1CCOCC1

STK840724
Synonyms: 2- methoxyethyl6- bromo- 5- [(2- chlorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccccc1Cl)c(c2)Br

STK540937
Synonyms: 6- ethyl- 2- ({[(2E)- 3- (furan- 2- yl)prop- 2- enoyl]carbamothioyl}amino)- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)/C=C/c1ccco1

STK840727
Synonyms: N- cycloheptyl- 6- hydroxy- 4- oxo- 1,2- dihydro- 4H- pyrrolo[3,2,1- ij]quinoline- 5- carboxamide
Smiles: O=C(c1c(O)c2cccc3c2n(c1=O)CC3)NC1CCCCCC1

STK840728
Synonyms: 7- ethyl- 1,3- dimethyl- 8- {[2- (morpholin- 4- yl)ethyl]sulfanyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(SCCN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C

STK540946
Synonyms: 2'- (2,5- dimethylphenyl)- 1- methyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1cc(C)ccc1C

STK540950
Synonyms: methyl3- [(thiophen- 2- ylcarbonyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccs1)cccc2

STK540951
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- naphthalen- 1- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cccc2c1cccc2

STK540952
Synonyms: 3- {[(E)- (4- hydroxyphenyl)methylidene]amino}- 2- (phenoxymethyl)quinazolin- 4(3H)- one
Smiles: Oc1ccc(cc1)/C=N/n1c(COc2ccccc2)nc2c(c1=O)cccc2

STK540953
Synonyms: 8- {[2- (dimethylamino)ethyl]amino}- 7- ethyl- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(NCCN(C)C)nc2c1c(=O)n(c(=O)n2C)C

STK540954
Synonyms: 3,6- diamino- 5- cyano- N- [2- (4- fluorophenyl)ethyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)NCCc1ccc(cc1)F

STK540956
Synonyms: 2- methoxy- 5- [(tetrahydrofuran- 2- ylmethyl)sulfamoyl]benzoicacid
Smiles: COc1ccc(cc1C(=O)O)S(=O)(=O)NCC1CCCO1

STK540966
Synonyms: (2Z,4E)- 5- (2- nitrophenyl)- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]penta- 2,4- dienenitrile
Smiles: N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK540968
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccccn1

STK840735
Synonyms: N'- [(E)- (4- ethoxy- 3- hydroxyphenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: CCOc1ccc(cc1O)/C=N/NC(=O)CSc1ccccn1

STK540977
Synonyms: (8R,8aR)- 6- amino- 8- (2,4- difluorophenyl)- 2- propyl- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1F)F)C(C(=C2C#N)N)(C#N)C#N

STK540978
Synonyms: ethyl5- (2- {2- [(3,4- dimethoxyphenyl)carbonyl]hydrazinyl}- 2- oxoethoxy)- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)NNC(=O)c1ccc(c(c1)OC)OC)cc2)c1ccccc1

STK840740
Synonyms: methylN- {[1- (4- methoxyphenyl)- 2,5- dioxo- 1,2,5,6,7,8- hexahydroquinolin- 3- yl]carbonyl}phenylalaninate
Smiles: COC(=O)C(NC(=O)c1cc2C(=O)CCCc2n(c1=O)c1ccc(cc1)OC)Cc1ccccc1

STK840742
Synonyms: 2- (2- methyl- 4- oxoquinolin- 1(4H)- yl)- N- (2- methylphenyl)acetamide
Smiles: O=C(Cn1c(C)cc(=O)c2c1cccc2)Nc1ccccc1C

STK840743
Synonyms: (2E)- 3- (furan- 2- yl)- N- {[2- (pyridin- 3- ylcarbonyl)hydrazinyl]carbonothioyl}prop- 2- enamide
Smiles: S=C(NC(=O)/C=C/c1ccco1)NNC(=O)c1cccnc1

STK540987
Synonyms: 5- (acetyloxy)- 6- bromo- 2- tert- butyl- 1- benzofuran- 3- carboxylicacid
Smiles: CC(=O)Oc1cc2c(cc1Br)oc(c2C(=O)O)C(C)(C)C

STK840746
Synonyms: ethyl5- {[(3- nitrophenyl)carbonyl]oxy}- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK540992
Synonyms: ethyl5- {[(2- bromophenyl)carbonyl]oxy}- 2- tert- butyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1ccccc1Br

STK540993
Synonyms: 5- ethoxy- N,N- bis(2- methylpropyl)- 2- phenyl- 1- benzofuran- 3- carboxamide
Smiles: CCOc1ccc2c(c1)c(C(=O)N(CC(C)C)CC(C)C)c(o2)c1ccccc1

STK540997
Synonyms: 11- (4- butylphenyl)- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c2c1ncn(c2=O)C(c1ccccc1)C

STK541000
Synonyms: 4- [(5E)- 4- oxo- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C/c2ccccn2)/C1=O

STK541006
Synonyms: ethyl3- ethyl- 4- {[(4- methoxyphenyl)carbonyl]amino}- 2- thioxo- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(=S)n(c1NC(=O)c1ccc(cc1)OC)CC

STK541009
Synonyms: ethyl4- [2- (2,6- dimethyl- 1H- indol- 3- yl)- 2- oxoethyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CC(=O)c1c(C)[nH]c2c1ccc(c2)C

STK840750
Synonyms: 2- (1,3- benzodioxol- 5- ylmethyl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: O=c1c2cccc3c2c(c(=O)n1Cc1ccc2c(c1)OCO2)ccc3

STK840751
Synonyms: propan- 2- yl5- [2- (4- chlorophenyl)- 2- oxoethoxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)Cl)cc2)C

STK541018
Synonyms: 2- ({[(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]carbamothioyl}amino)- 4,5,6,7,8,9- hexahydrocycloocta[b]thiophene- 3- carboxamide
Smiles: O=C(NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2)/C=C/c1cccs1

STK541020
Synonyms: 6- {9- bromo- 2- [4- (difluoromethoxy)phenyl]- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl}- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)OC(F)F)Br

STK541021
Synonyms: 2- {1- (4- chlorophenyl)- 3- [2- (3,4- dimethoxyphenyl)ethyl]- 5- oxo- 2- thioxoimidazolidin- 4- yl}- N- (2- iodophenyl)acetamide
Smiles: COc1ccc(cc1OC)CCN1C(=S)N(C(=O)C1CC(=O)Nc1ccccc1I)c1ccc(cc1)Cl

STK541023
Synonyms: 2- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]- 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)C(=O)c1ccco1

STK541024
Synonyms: benzyl(8R,8aR)- 6- amino- 5,7,7- tricyano- 8- (furan- 3- yl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccoc1)(C#N)C#N

STK840756
Synonyms: ethyl2- methyl- 5- {[(3- nitrophenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK541025
Synonyms: (8S,8aR,11aS,11bS)- 8- acetyl- 10- (4- methoxyphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C

STK840757
Synonyms: (3E)- 3- [2- (4- methoxyphenyl)- 2- oxoethylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: COc1ccc(cc1)C(=O)/C=C\1/C(=O)Nc2c1cccc2

STK840759
Synonyms: (2Z)- 3- amino- 3- (cyclohexylamino)- 2- [(Z)- (3- oxo- 1,3- dihydro- 2H- indol- 2- ylidene)methyl]prop- 2- enenitrile
Smiles: N#C/C(=C(\NC1CCCCC1)/N)/C=C/1\Nc2c(C1=O)cccc2

STK840762
Synonyms: 2- methoxyethyl6- bromo- 5- [(2- fluorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccccc1F)c(c2)Br

STK840763
Synonyms: 2- (azepan- 1- yl)- N'- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]- 2- oxoacetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)C(=O)N1CCCCCC1

STK840765
Synonyms: 2- (azepan- 1- yl)- 2- oxo- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide
Smiles: O=C(C(=O)N/N=C/c1ccccn1)N1CCCCCC1

STK541034
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (2- chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccccc1Cl

STK541038
Synonyms: N'- [(E)- (4- methoxyphenyl)methylidene]- 2- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)CN1CCn2c3C1CCCc3c1c2ccc(c1)C

STK541039
Synonyms: 1- (5- methoxy- 1H- indol- 3- yl)- 2- [(3R)- 4- (4- methoxyphenyl)- 3- methylpiperazin- 1- yl]ethanol
Smiles: COc1ccc(cc1)N1CCN(CC1C)CC(c1c[nH]c2c1cc(OC)cc2)O

STK840772
Synonyms: ethyl2- (4- methoxyphenyl)- 5- {[3- (trifluoromethyl)benzyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cccc(c1)C(F)(F)F)cc2)c1ccc(cc1)OC

STK541051
Synonyms: 2- methyl- N'- {(E)- [4- (propan- 2- yl)phenyl]methylidene}quinoline- 4- carbohydrazide
Smiles: Cc1nc2ccccc2c(c1)C(=O)N/N=C/c1ccc(cc1)C(C)C

STK541052
Synonyms: (6aR,6bS,9aR,10S)- 10- [(3,4- dimethoxyphenyl)carbonyl]- 8- (4- fluorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)F)C=Cc1c2cccc1

STK541058
Synonyms: 1,3- dimethyl- 8- [(4- methylbenzyl)sulfanyl]- 7- pentyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCn1c(SCc2ccc(cc2)C)nc2c1c(=O)n(c(=O)n2C)C

STK840775
Synonyms: ethyl6- bromo- 2- methyl- 5- [2- oxo- 2- (propan- 2- yloxy)ethoxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)OC(C)C)c(c2)Br

STK840777
Synonyms: 2- amino- 4- methyl- N- (1,3- thiazol- 2- yl)- 1,3- thiazole- 5- carboxamide
Smiles: Nc1nc(c(s1)C(=O)Nc1nccs1)C

STK541066
Synonyms: 4- acetyl- 5- (2- fluorophenyl)- 3- hydroxy- 1- phenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: O=C1N(c2ccccc2)C(C(=C1O)C(=O)C)c1ccccc1F

STK541068
Synonyms: ethyl2- (4- fluorophenyl)- 4- hydroxy- 5- oxo- 1- phenyl- 2,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)F)c1ccccc1

STK840779
Synonyms: 8- (cyclohexylamino)- 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C)COc1ccccc1C

STK840781
Synonyms: ethyl5- {[(pentafluorophenoxy)acetyl]oxy}- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)COc1c(F)c(F)c(c(c1F)F)F)c1ccccc1

STK541073
Synonyms: (2Z)- 3- amino- 3- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 2- [(Z)- (3- oxo- 1,3- dihydro- 2H- indol- 2- ylidene)methyl]prop- 2- enenitrile
Smiles: N#C/C(=C(\NCCc1ccc(c(c1)OC)OC)/N)/C=C/1\Nc2c(C1=O)cccc2

STK541081
Synonyms: bis(3,3,5- trimethyl- 6- oxo- 2- phenyl- 3,6- dihydro- 2H- pyran- 4- yl)butanedioate
Smiles: O=C(OC1=C(C)C(=O)OC(C1(C)C)c1ccccc1)CCC(=O)OC1=C(C)C(=O)OC(C1(C)C)c1ccccc1

STK541092
Synonyms: (3Z)- 3- [2- (3- methoxyphenyl)- 2- oxoethylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: COc1cccc(c1)C(=O)/C=C/1\C(=O)Nc2c1cccc2

STK541096
Synonyms: N- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)- N'- (propan- 2- yl)ethanediamide
Smiles: CC(NC(=O)C(=O)Nc1c(=O)[nH]c2c(c1O)cccc2)C

STK541100
Synonyms: 1- [2- (2,6- dimethyl- 1H- indol- 3- yl)- 2- oxoethyl]piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)CC(=O)c1c(C)[nH]c2c1ccc(c2)C

STK840794
Synonyms: methyl2- methyl- 5- {[(3- nitrophenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK840795
Synonyms: ethyl5- {2- [(2E)- 2- (2- methoxybenzylidene)hydrazinyl]- 2- oxoethoxy}- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)N/N=C/c1ccccc1OC)cc2

STK541105
Synonyms: (3Z)- 3- [2- oxo- 2- (4- propylphenyl)ethylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: CCCc1ccc(cc1)C(=O)/C=C/1\C(=O)Nc2c1cccc2

STK840796
Synonyms: propan- 2- yl4- [(3- cyano- 4- phenyl- 6,7- dihydro- 5H- cyclopenta[b]pyridin- 2- yl)sulfanyl]- 3- oxobutanoate
Smiles: N#Cc1c(SCC(=O)CC(=O)OC(C)C)nc2c(c1c1ccccc1)CCC2

STK541108
Synonyms: N'- [(E)- thiophen- 2- ylmethylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccs1

STK541109
Synonyms: [(7- heptyl- 3- methyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)sulfanyl]aceticacid
Smiles: CCCCCCCn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C

STK840800
Synonyms: 3- methyl- 7- (2- methylpropyl)- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCC1)C

STK840801
Synonyms: 1- (6- tert- butyl- 9- methyl- 9H- carbazol- 3- yl)- 2,2,2- trifluoroethanone
Smiles: O=C(C(F)(F)F)c1ccc2c(c1)c1cc(ccc1n2C)C(C)(C)C

STK541119
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (2- hydroxy- 3- methoxy- 5- nitrophenyl)methylidene]acetohydrazide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)Cn1nnnc1N)[N+](=O)[O-]

STK541121
Synonyms: (3- aminopropyl)(2- phenylethyl)phosphinicacid
Smiles: NCCCP(=O)(CCc1ccccc1)O

STK840807
Synonyms: ethyl6- bromo- 5- [(3- fluorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)F)c(c2)Br

STK541132
Synonyms: ethyl5- fluoro- 3- [(thiophen- 2- ylcarbonyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccs1)cc(cc2)F

STK541133
Synonyms: 1- (2,6- dimethyl- 1H- indol- 3- yl)- 2- (thiomorpholin- 4- yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCSCC1)C

STK541136
Synonyms: ethyl6- bromo- 2- tert- butyl- 5- [(2- methylbenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccccc3C)c(cc2oc1C(C)(C)C)Br

STK541137
Synonyms: methyl{[3- (4- methoxyphenyl)- 4- oxo- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CC(OC3)C(C)C

STK541139
Synonyms: 3- [3- (dimethylamino)propyl]- 6- methyl- 4- oxo- 5- phenyl- 4,5- dihydro- 3H- pyrrolo[3,2- d]pyrimidine- 7- carbonitrile
Smiles: N#Cc1c(C)n(c2c1ncn(c2=O)CCCN(C)C)c1ccccc1

STK541141
Synonyms: N- (2- hydroxyethyl)- 6- oxo- 1,6- dihydropyridazine- 3- carboxamide
Smiles: OCCNC(=O)c1ccc(=O)[nH]n1

STK541143
Synonyms: 3- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- 2- (phenoxymethyl)quinazolin- 4(3H)- one
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(COc2ccccc2)nc2c(c1=O)cccc2

STK840815
Synonyms: (2E)- 2- (pyridin- 3- ylmethylidene)- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)hydrazinecarboxamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)N/N=C/c1cccnc1

STK541156
Synonyms: 1,3- dimethyl- 7- (3- methylbutyl)- 8- [(2- oxo- 2- phenylethyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK840817
Synonyms: 7- hexyl- 1,3- dimethyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1

STK541170
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (5- nitrothiophen- 2- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK541171
Synonyms: 4- fluoro- N- {3- [(4- methylphenyl)sulfonyl]- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)F)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK840820
Synonyms: 8H- naphtho[2,3- a]phenothiazine- 8,13(14H)- dione
Smiles: O=c1c2c3[nH]c4ccccc4sc3ccc2c(=O)c2c1cccc2

STK840821
Synonyms: N,N- dimethyl- 6- (pyridin- 3- yl)- 1,3,5- triazine- 2,4- diamine
Smiles: Nc1nc(nc(n1)N(C)C)c1cccnc1

STK541178
Synonyms: 2- [4- (4- bromophenyl)- 3,4- dihydropyrimido[1,2- a]benzimidazol- 2- yl]phenol
Smiles: Brc1ccc(cc1)C1CC(=Nc2n1c1ccccc1n2)c1ccccc1O

STK840823
Synonyms: N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 2- (pyridin- 2- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cc(Br)ccc1O

STK840824
Synonyms: 3- (4- {[5- (4- chlorophenyl)furan- 2- yl]carbonothioyl}piperazin- 1- yl)propanenitrile
Smiles: N#CCCN1CCN(CC1)C(=S)c1ccc(o1)c1ccc(cc1)Cl

STK840825
Synonyms: 7- benzyl- 3- methyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1[nH]c(=O)n(c2c1n(Cc1ccccc1)c(n2)N1CCCC1)C

STK541189
Synonyms: N- (furan- 2- ylmethyl)- N- (4- methylpentyl)- 4,6- di(morpholin- 4- yl)- 1,3,5- triazin- 2- amine
Smiles: CC(CCCN(c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Cc1ccco1)C

STK541190
Synonyms: N'- [(E)- (3,5- dibromo- 2- hydroxyphenyl)methylidene]- 2- [4- (1H- tetrazol- 1- yl)phenoxy]acetohydrazide
Smiles: O=C(COc1ccc(cc1)n1cnnn1)N/N=C/c1cc(Br)cc(c1O)Br

STK840829
Synonyms: N- (4- methoxyphenyl)- 2- methylimidazo[1,2- a]pyridine- 3- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(C)nc2n1cccc2

STK541206
Synonyms: ethyl6- methoxy- 4- [(4- methoxyphenyl)amino]quinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)OC)cc(cc2)OC

STK840835
Synonyms: 2- [7- oxo- 7- (3- phenylpyrrolidin- 1- yl)heptyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C(N1CCC(C1)c1ccccc1)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK840836
Synonyms: 7- (4- fluorobenzyl)- 1,3- dimethyl- 8- nitro- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)[N+](=O)[O-]

STK541216
Synonyms: N'- [(E)- (1,3- dimethyl- 1H- pyrazol- 4- yl)methylidene]- 2- (1H- 1,2,4- triazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cn(nc1C)C

STK541217
Synonyms: 5- (3,4- dimethoxyphenyl)- 2- {[(4- ethylphenyl)amino]methylidene}cyclohexane- 1,3- dione
Smiles: CCc1ccc(cc1)N/C=C/1\C(=O)CC(CC1=O)c1ccc(c(c1)OC)OC

STK840839
Synonyms: ethyl2- tert- butyl- 5- {[(3,4- dimethoxyphenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1ccc(c(c1)OC)OC

STK541225
Synonyms: 2- cyano- 2- [3- (3,4- dihydroisoquinolin- 2(1H)- yl)quinoxalin- 2- yl]- N- (prop- 2- en- 1- yl)acetamide
Smiles: C=CCNC(=O)C(c1nc2ccccc2nc1N1CCc2c(C1)cccc2)C#N

STK541227
Synonyms: 8- {[2- (dimethylamino)ethyl]amino}- 1,3- dimethyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN(CCNc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C)C

STK840842
Synonyms: 2- methyl- 6- phenyl- 4H- thieno[2,3- d][1,3]oxazin- 4- one
Smiles: Cc1oc(=O)c2c(n1)sc(c2)c1ccccc1

STK541229
Synonyms: 6- amino- 1- (3- chlorophenyl)- 4- (3,4- difluorophenyl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)F)F)c(C)nn2c1cccc(c1)Cl

STK541231
Synonyms: (5E)- 5- (2- butoxybenzylidene)- 2- (piperidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: CCCCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCCCC1

STK541233
Synonyms: 6- [(2E)- 3,4- dihydroquinolin- 2(1H)- ylideneamino]hexanoicacid
Smiles: OC(=O)CCCCC/N=C/1\CCc2c(N1)cccc2

STK541234
Synonyms: [1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridin- 2- yl](piperidin- 1- yl)methanone
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)N1CCCCC1

STK541235
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(E)- (3,5- dibromo- 4- hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cc(Br)c(c(c1)Br)O

STK541236
Synonyms: 3- ({[4- (2,3- dimethylphenyl)piperazin- 1- yl]acetyl}amino)- 5- methyl- 1H- indole- 2- carboxylicacid
Smiles: O=C(Nc1c([nH]c2c1cc(C)cc2)C(=O)O)CN1CCN(CC1)c1cccc(c1C)C

STK541239
Synonyms: 5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: O=c1[nH]cnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK840849
Synonyms: 2- (ethylsulfanyl)- 6,7- dihydro- 5H- cyclopenta[b]pyridine- 3- carbonitrile
Smiles: CCSc1nc2CCCc2cc1C#N

STK840850
Synonyms: 4,6- dimethyl- 3- phenyl- 1H- pyrazolo[3,4- b]pyridine
Smiles: Cc1cc(C)c2c(n1)[nH]nc2c1ccccc1

STK541251
Synonyms: N- [4- chloro- 3- (trifluoromethyl)phenyl]- 1,3- benzoxazol- 2- amine
Smiles: Clc1ccc(cc1C(F)(F)F)Nc1nc2c(o1)cccc2

STK541252
Synonyms: ethyl5- [(2,5- dimethylbenzyl)oxy]- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCc1cc(C)ccc1C)cc2)C

STK541254
Synonyms: 1- ethyl- 6- fluoro- 4- oxo- 7- (4- propanoylpiperazin- 1- yl)- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)CC)c(c2)F

STK541257
Synonyms: N- (2- hydroxyethyl)- 1- phenylcyclopentanecarboxamide
Smiles: OCCNC(=O)C1(CCCC1)c1ccccc1

STK840852
Synonyms: ethyl2- tert- butyl- 5- [(2,4- dichlorobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(cc3Cl)Cl)ccc2oc1C(C)(C)C

STK840857
Synonyms: ethyl5- [(furan- 2- ylcarbonyl)oxy]- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccco1)c1ccc(cc1)OC

STK541272
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(1Z)- 1- (4- bromophenyl)ethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C(\c1ccc(cc1)Br)/C

STK541273
Synonyms: methyl[2- bromo- 1- hydroxy- 1- (4- nitrophenyl)ethyl]prop- 1- yn- 1- ylphosphinate
Smiles: BrCC(P(=O)(C#CC)OC)(c1ccc(cc1)[N+](=O)[O-])O

STK541277
Synonyms: ethyl3- {[(4- fluorophenyl)sulfonyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(cc1)F)cc(cc2)OC

STK840858
Synonyms: 2- methoxyethyl6- bromo- 5- [(2- chloro- 4- fluorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1Cl)F)c(c2)Br

STK541280
Synonyms: N,N- dimethyl- 6- (pyridin- 4- yl)- 1,3,5- triazine- 2,4- diamine
Smiles: Nc1nc(nc(n1)N(C)C)c1ccncc1

STK541281
Synonyms: 8- {[2- (dimethylamino)ethyl]amino}- 3- methyl- 7- (3- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN(CCNc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C)C

STK840860
Synonyms: ethyl2- methyl- 5- {[(pentafluorophenoxy)acetyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)COc1c(F)c(F)c(c(c1F)F)F

STK541290
Synonyms: N- (4- bromophenyl)- 2- (2- methyl- 4- oxoquinolin- 1(4H)- yl)acetamide
Smiles: O=C(Cn1c(C)cc(=O)c2c1cccc2)Nc1ccc(cc1)Br

STK541291
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- {2- [(3- bromobenzyl)oxy]benzylidene}acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccccc1OCc1cccc(c1)Br

STK541293
Synonyms: 2- [(3- methylphenyl)(phenyl)methylidene]- 1H- indene- 1,3(2H)- dione
Smiles: Cc1cccc(c1)/C(=C/1\C(=O)c2c(C1=O)cccc2)/c1ccccc1

STK840863
Synonyms: ethyl5- [(3- nitrobenzyl)oxy]- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])cc2)c1ccccc1

STK840865
Synonyms: 3- (3,4- dimethoxyphenyl)- 1- ethyl- 6- methoxy- 1H- benzo[de]cinnoline
Smiles: COc1cc(ccc1OC)c1nn(CC)c2c3c1ccc(c3ccc2)OC

STK541299
Synonyms: N,N- diethyl- N'- [(2E)- 1,3,4,5- tetrahydro- 2H- 1- benzazepin- 2- ylidene]ethane- 1,2- diamine
Smiles: CCN(CC/N=C/1\CCCc2c(N1)cccc2)CC

STK541304
Synonyms: 4- [3- acetyl- 2- (4- fluorophenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]butanoicacid
Smiles: OC(=O)CCCN1C(c2ccc(cc2)F)C(=C(C1=O)O)C(=O)C

STK840867
Synonyms: 2- methoxyethyl6- bromo- 2- methyl- 5- (2- oxo- 2- phenylethoxy)- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccccc1)c(c2)Br

STK541306
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 6- oxo- 1,6- dihydropyridazine- 3- carboxamide
Smiles: COc1cc(CCNC(=O)c2ccc(=O)[nH]n2)ccc1OC

STK541307
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}propanoicacid
Smiles: COc1ccc(cc1)n1c(SC(C(=O)O)C)nc2c(c1=O)c1CC(OCc1s2)C(C)C

STK840870
Synonyms: 8- (butan- 2- ylamino)- 7- (4- fluorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCC(Nc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C)C

STK541317
Synonyms: 3,6- diamino- 5- cyano- N- (2,4- dimethoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1sc2c(c1N)cc(c(n2)N)C#N

STK541318
Synonyms: methyl5- [1- (diethylamino)ethyl]furan- 2- carboxylate
Smiles: CCN(C(c1ccc(o1)C(=O)OC)C)CC

STK541319
Synonyms: 3- amino- 5- [2- (diethylamino)ethyl]- 5H- pyrido[4,3- b]indole- 4- carbonitrile
Smiles: CCN(CCn1c2ccccc2c2c1c(C#N)c(N)nc2)CC

STK541320
Synonyms: 2,2- dimethyl- 5- (pyrrolidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: O=c1[nH]cnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK541330
Synonyms: 6- oxo- N- (2- phenylethyl)- 1,6- dihydropyridazine- 3- carboxamide
Smiles: O=C(c1ccc(=O)[nH]n1)NCCc1ccccc1

STK840875
Synonyms: 1,3- dimethyl- 7- (3- methylbutyl)- 8- (prop- 2- en- 1- ylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCNc1nc2c(n1CCC(C)C)c(=O)n(c(=O)n2C)C

STK541332
Synonyms: 2- cyclopropyl- N'- {(E)- [4- (propan- 2- yl)phenyl]methylidene}quinoline- 4- carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)C1CC1)N/N=C/c1ccc(cc1)C(C)C

STK840876
Synonyms: ethyl8- methyl- 4- [(3- nitrophenyl)amino]quinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc(c1)[N+](=O)[O-])cccc2C

STK840877
Synonyms: 1- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)CC(=O)N1CCCC1

STK541345
Synonyms: ethyl3- [(3- cyclopentylpropanoyl)amino]- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCC1CCCC1)cc(cc2)F

STK541349
Synonyms: ethyl4- [(4E)- 4- benzylidene- 5- oxo- 2- phenyl- 4,5- dihydro- 1H- imidazol- 1- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=N/C(=C/c2ccccc2)/C1=O)c1ccccc1

STK541350
Synonyms: (1Z)- 1- (3,4- dimethoxyphenyl)- N- [(9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]ethanimine
Smiles: COc1cc(ccc1OC)/C(=N\OCc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C)/C

STK541364
Synonyms: methyl4- [(Z)- (2- {[4- (4- methylbenzyl)piperazin- 1- yl]acetyl}hydrazinylidene)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N\NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C

STK541365
Synonyms: 2- (2,4- dichlorophenyl)- 6- (piperidin- 1- yl)- 4,4- bis(trifluoromethyl)- 4H- 1,3,5- oxadiazine
Smiles: Clc1ccc(c(c1)Cl)C1=NC(N=C(O1)N1CCCCC1)(C(F)(F)F)C(F)(F)F

STK541366
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- fluorophenyl2- methoxybenzoate
Smiles: COc1cc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2ccccc2OC)ccc1OC

STK541368
Synonyms: 6- {(2E)- 2- [2- (benzyloxy)benzylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: c1ccc(cc1)COc1ccccc1/C=N/Nc1ccc2n(n1)cnn2

STK541373
Synonyms: 4- [(1,1,2,3,3,3- hexafluoropropyl)sulfanyl]benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)SC(C(C(F)(F)F)F)(F)F

STK541374
Synonyms: (2E)- N- benzyl- 2- (2- bromobenzylidene)hydrazinecarbothioamide
Smiles: S=C(NCc1ccccc1)N/N=C/c1ccccc1Br

STK840891
Synonyms: 4- fluoro- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenyl4- nitrobenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(F)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK541376
Synonyms: 2- [(E)- (3,5- dimethyl- 1H- pyrazol- 4- yl)diazenyl]benzoicacid
Smiles: OC(=O)c1ccccc1/N=N/c1c(C)n[nH]c1C

STK541379
Synonyms: 3- (4- methoxyphenyl)- 2- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1c(SCC(=O)N2CCCCC2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK541382
Synonyms: N- benzyl- 2- {[4- oxo- 3- (2- phenylethyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C

STK541390
Synonyms: methyl5- cyano- 6- ({2- [(2- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (2- fluorophenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccccc1CC

STK541391
Synonyms: (3aR,6aS)- 3- (4- bromophenyl)- 5- (3,5- dichlorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl

STK541392
Synonyms: (3aR,6aS)- 5- (2- chlorophenyl)- 3- (3,4- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1Cl

STK541395
Synonyms: methyl2- (acetylamino)- N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 3,3,3- trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1c(C)n(n(c1=O)c1ccccc1)C)NC(=O)C

STK541396
Synonyms: 2- [(1,3- benzoxazol- 2- ylsulfanyl)methyl]- 9- benzyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c2nc(nn2cn1)CSc1nc2c(o1)cccc2

STK541399
Synonyms: 5- cyano- N- (2- methoxyphenyl)- 2- methyl- 6- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)C

STK541401
Synonyms: ethyl5- (acetyloxy)- 6- bromo- 1- methyl- 2- [(pyridin- 4- ylamino)methyl]- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CNc1ccncc1)C)Br

STK840898
Synonyms: 3- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)propanehydrazide
Smiles: NNC(=O)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK541403
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(2,6- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 4- (4- methylphenyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1c(C)cccc1C

STK541405
Synonyms: 3- (2- methoxyethyl)- 11- phenyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccccc1

STK541406
Synonyms: 2,2'- [(3- nitro- 4- propoxybenzyl)imino]diethanol
Smiles: CCCOc1ccc(cc1[N+](=O)[O-])CN(CCO)CCO

STK840899
Synonyms: diethyl4- {[4- (morpholin- 4- yl)phenyl]amino}quinoline- 3,6- dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)N1CCOCC1)cc(cc2)C(=O)OCC

STK541409
Synonyms: 2- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- methylbutanoicacid
Smiles: CC(C(N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O)C(=O)O)C

STK541413
Synonyms: ethyl6- bromo- 5- [(2- bromobenzyl)oxy]- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccccc1Br)c(c2)Br)c1ccccc1

STK840902
Synonyms: (2E)- 3- (4- fluorophenyl)- N- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enamide
Smiles: O=C(Nc1scc(n1)c1cccc(c1)[N+](=O)[O-])/C=C/c1ccc(cc1)F

STK840905
Synonyms: 2- [(2E)- 3- (2- chlorophenyl)prop- 2- enoyl]- 4- fluorophenyl2- methoxybenzoate
Smiles: COc1ccccc1C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccccc1Cl)F

STK541443
Synonyms: 2- methoxyethyl6- bromo- 5- (2- ethoxy- 2- oxo- 1- phenylethoxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OC(c1ccccc1)C(=O)OCC)c(c2)Br

STK840906
Synonyms: 4- fluoro- 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]phenyl2- bromobenzoate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)OC(=O)c1ccccc1Br

STK541448
Synonyms: 5- cyano- N- (2- methoxyphenyl)- 2- methyl- 6- ({2- [(3- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)C

STK541451
Synonyms: 3- (4- ethoxyphenyl)- 11- (2- methoxyethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)c1ccc(cc1)OCC

STK541453
Synonyms: 2,2'- butane- 1,4- diylbis(6- phenyl- 1,3- benzothiazole)
Smiles: c1ccc(cc1)c1ccc2c(c1)sc(n2)CCCCc1nc2c(s1)cc(cc2)c1ccccc1

STK541454
Synonyms: {[4- phenyl- 5- (3,4,5- trimethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}aceticacid
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)O

STK541455
Synonyms: 2- amino- 4- (dimethylamino)- 6- methylpyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc(cc1N(C)C)C

STK840910
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 3- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)propanamide
Smiles: COc1cc(CCNC(=O)CCn2c(=O)c3cccc4c3c(c2=O)ccc4)ccc1OC

STK840912
Synonyms: 3,6- diamino- 5- cyano- 4- (3,4- dimethoxyphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(cc1OC)c1c(C#N)c(N)nc2c1c(N)c(s2)C(=O)N

STK840915
Synonyms: 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenyl4- nitrobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)/C=C/c1ccc(cc1)F

STK840916
Synonyms: 2- (methylsulfanyl)- 5- oxo- 4- [4- (propan- 2- yl)phenyl]- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)C

STK541472
Synonyms: 1- benzyl- 2'- (2,4- dimethoxyphenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cc(OC)ccc1C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1

STK541473
Synonyms: (6aS,6bR,9aS,10R)- 8- (1,3- benzodioxol- 5- yl)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK541475
Synonyms: N',N''- (1E,2E)- propane- 1,2- diylidenebis(1- benzofuran- 2- carbohydrazide)
Smiles: C/C(=N\NC(=O)c1oc2c(c1)cccc2)/C=N/NC(=O)c1oc2c(c1)cccc2

STK541477
Synonyms: ethyl5- (2- {2- [(3- methoxyphenyl)carbonyl]hydrazinyl}- 2- oxoethoxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)NNC(=O)c1cccc(c1)OC)cc2

STK541480
Synonyms: 2- butyl- N'- (chloroacetyl)- 2- hydroxy- N'- phenylhexanehydrazide
Smiles: CCCCC(C(=O)NN(c1ccccc1)C(=O)CCl)(CCCC)O

STK840920
Synonyms: 2- {[3- cyano- 4- (4- ethylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=O)CC1c1ccc(cc1)CC

STK541485
Synonyms: (2E)- 3- [3- (1,3- benzodioxol- 5- ylsulfamoyl)- 4- methoxyphenyl]prop- 2- enoicacid
Smiles: COc1ccc(cc1S(=O)(=O)Nc1ccc2c(c1)OCO2)/C=C/C(=O)O

STK840922
Synonyms: propyl{[6- amino- 3,5- dicyano- 4- (4- methylphenyl)pyridin- 2- yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSc1nc(N)c(c(c1C#N)c1ccc(cc1)C)C#N

STK541487
Synonyms: 6- methyl- 2- [(pyridin- 3- ylmethyl)sulfanyl]- 4- (trifluoromethyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCc2cccnc2)nc(cc1C(F)(F)F)C

STK840926
Synonyms: (2E)- 3- (4- fluorophenyl)- N- [(furan- 2- ylmethyl)carbamothioyl]prop- 2- enamide
Smiles: S=C(NC(=O)/C=C/c1ccc(cc1)F)NCc1ccco1

STK541498
Synonyms: 6- {(2E)- 2- [4- (pentyloxy)benzylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: CCCCCOc1ccc(cc1)/C=N/Nc1ccc2n(n1)cnn2

STK541499
Synonyms: (3aR,6aS)- 3- (3,4- dimethoxyphenyl)- 5- phenyl- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1

STK840927
Synonyms: methyl(2E)- 2- [4- (acetyloxy)benzylidene]- 7- methyl- 3- oxo- 5- (thiophen- 2- yl)- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(cc1)OC(=O)C)/s2

STK840930
Synonyms: prop- 2- en- 1- yl5- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 2- methyl- 6- [(2- oxo- 2- phenylethyl)sulfanyl]- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)c1ccccc1

STK541507
Synonyms: N- benzyl- 2- cyano- 2- [3- (diethylamino)quinoxalin- 2- yl]acetamide
Smiles: N#CC(c1nc2ccccc2nc1N(CC)CC)C(=O)NCc1ccccc1

STK541508
Synonyms: 2- (4- butoxy- 3- nitrophenyl)imidazo[1,2- a]pyridine
Smiles: CCCCOc1ccc(cc1[N+](=O)[O-])c1nc2n(c1)cccc2

STK541511
Synonyms: 2- {4- [(4- bromophenyl)sulfonyl]piperazin- 1- yl}- N'- [(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/C=C/c1ccccc1

STK541512
Synonyms: 2- methyl- 5- {4- [(3- methylphenyl)amino]phthalazin- 1- yl}- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Cc1cccc(c1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK840933
Synonyms: 2- [(1E)- 3- oxo- 3- phenylprop- 1- en- 1- yl]phenylfuran- 2- carboxylate
Smiles: O=C(c1ccccc1)/C=C/c1ccccc1OC(=O)c1ccco1

STK541522
Synonyms: ethyl6,8- dioxo- 7- (2,4,6- trimethylphenyl)- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)c1c(C)cc(cc1C)C

STK541524
Synonyms: 5- [(2- chlorophenyl)amino]- 2- ethyl- 5- oxopentanoicacid
Smiles: CCC(C(=O)O)CCC(=O)Nc1ccccc1Cl

STK840936
Synonyms: 4- bromo- 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]phenylbenzoate
Smiles: COc1cc(/C=C/C(=O)c2cc(Br)ccc2OC(=O)c2ccccc2)ccc1OC

STK541532
Synonyms: (2- {2- [({2- methyl- 3- [(propan- 2- yloxy)carbonyl]- 1- benzofuran- 5- yl}oxy)acetyl]hydrazinyl}- 2- oxoethoxy)aceticacid
Smiles: O=C(COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C)NNC(=O)COCC(=O)O

STK541538
Synonyms: methyl6- {[2- (benzylamino)- 2- oxoethyl]sulfanyl}- 5- cyano- 2- oxo- 4- [4- (propan- 2- yl)phenyl]- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C(C)C)C#N)SCC(=O)NCc1ccccc1

STK840939
Synonyms: N- (furan- 2- ylmethyl)- 2- (4- phenylpiperazin- 1- yl)quinazolin- 4- amine
Smiles: c1ccc(cc1)N1CCN(CC1)c1nc(NCc2ccco2)c2c(n1)cccc2

STK541549
Synonyms: 4- bromo- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl3- nitrobenzoate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK840941
Synonyms: 3- amino- N- benzyl- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)NCc1ccccc1

STK840942
Synonyms: 2- [2- (ethylsulfanyl)- 1,3- benzothiazol- 6- yl]- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3(2H)- dione
Smiles: CCSc1nc2c(s1)cc(cc2)N1C(=O)C2C(C1=O)C1CC2C=C1

STK840943
Synonyms: 5- methoxy- 2- [(2E)- 3- (4- methylphenyl)prop- 2- enoyl]phenyl4- nitrobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)/C=C/c1ccc(cc1)C

STK541561
Synonyms: 2- {[3- cyano- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (4- phenoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK840945
Synonyms: N- (2,5- dimethylphenyl)- 4- (morpholin- 4- yl)quinazolin- 2- amine
Smiles: Cc1ccc(c(c1)Nc1nc(N2CCOCC2)c2c(n1)cccc2)C

STK541564
Synonyms: [4- (8- chloro- 5H- pyrimido[5,4- b]indol- 4- yl)piperazin- 1- yl](furan- 2- yl)methanone
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C(=O)c1ccco1

STK840948
Synonyms: 4- chloro- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl4- nitrobenzoate
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK840950
Synonyms: N- (3- acetylphenyl)- 2- {[3- cyano- 4- (2- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C(=O)C)NC(=O)CC1c1ccccc1OC

STK541571
Synonyms: (3aR,6aS)- 5- (3- chlorophenyl)- 3- (3,4- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)Cl

STK541572
Synonyms: ethyl5- {[2- (4- ethoxy- 2,3,5,6- tetrafluorophenoxy)propanoyl]oxy}- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)C(Oc1c(F)c(F)c(c(c1F)F)OCC)C)c1ccccc1

STK541574
Synonyms: 6- {[(5- bromo- 2- hydroxyphenyl)carbonyl]amino}hexanoicacid
Smiles: Oc1ccc(cc1C(=O)NCCCCCC(=O)O)Br

STK541578
Synonyms: 2- (morpholin- 4- yl)- 6- (2- phenylethyl)- 4,4- bis(trifluoromethyl)- 4H- 1,3,5- oxadiazine
Smiles: FC(C1(N=C(CCc2ccccc2)OC(=N1)N1CCOCC1)C(F)(F)F)(F)F

STK840956
Synonyms: N- (4- chloro- 2- fluorophenyl)- 4- phenylpiperazine- 1- carbothioamide
Smiles: Clc1ccc(c(c1)F)NC(=S)N1CCN(CC1)c1ccccc1

STK541587
Synonyms: 2- {[3- (1H- imidazol- 1- yl)propyl]amino}- 3- {(Z)- [4- oxo- 3- (prop- 2- en- 1- yl)- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: C=CCN1C(=S)S/C(=C\c2c(NCCCn3ccnc3)nc3n(c2=O)cccc3)/C1=O

STK541593
Synonyms: ethyl5- chloro- 3- [(propan- 2- ylcarbamoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)NC(C)C)cc(cc2)Cl

STK541598
Synonyms: 3- (2,4- dichlorophenyl)- 6- iodo- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(c(c1)Cl)n1c(/C=C/c2cccnc2)nc2c(c1=O)cc(cc2)I

STK840963
Synonyms: 5- (3,4- dimethoxyphenyl)- 2- phenyl- 5,6- dihydro- 7H- [1,2,4]triazolo[5,1- b][1,3]thiazin- 7- one
Smiles: COc1cc(ccc1OC)C1CC(=O)n2c(S1)nc(n2)c1ccccc1

STK541605
Synonyms: 9'- bromo- 2,2- dimethyl- 2'- (thiophen- 2- yl)- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCOC(C1)(C)C)c1cccs1

STK840964
Synonyms: (5Z)- 3- (4- ethoxyphenyl)- 5- (4- fluorobenzylidene)- 1,3- thiazolidine- 2,4- dione
Smiles: CCOc1ccc(cc1)N1C(=O)S/C(=C\c2ccc(cc2)F)/C1=O

STK541609
Synonyms: 2- (4- chlorophenyl)- 4- (2,3- dichlorophenyl)- 5- phenyl- 1H- imidazole
Smiles: Clc1ccc(cc1)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK840967
Synonyms: 2- methoxyethyl6- bromo- 2- methyl- 5- [(3- nitrobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])c(c2)Br

STK541624
Synonyms: 5- oxo- 5- [3- phenyl- 5- (quinoxalin- 6- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]pentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccc2c(c1)nccn2)c1ccccc1

STK541627
Synonyms: 1- (4- ethoxybenzyl)- 3- [(4- ethoxyphenyl)sulfonyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)CN1C(=O)CC(=O)N(C1=O)S(=O)(=O)c1ccc(cc1)OCC

STK541634
Synonyms: ethyl5- fluoro- 3- [(methylcarbamothioyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NC)cc(cc2)F

STK840969
Synonyms: prop- 2- en- 1- yl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- {[2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1nccs1

STK840975
Synonyms: N~4~- benzyl- N~2~- (4- fluorophenyl)quinazoline- 2,4- diamine
Smiles: Fc1ccc(cc1)Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK541655
Synonyms: 3- (4- ethoxyphenyl)- 11- (2- methoxyethyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1ccc(cc1)OCC

STK541658
Synonyms: prop- 2- en- 1- yl4- (4- chlorophenyl)- 5- cyano- 6- ({2- [(2- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccccc1CC

STK541659
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 7'- methoxy- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C(C)C)N1C2CC(=N1)c1ccc2c(c1)OCO2

STK840977
Synonyms: (3,6- dichloro- 1- benzothiophen- 2- yl)(3,5- dimethyl- 1H- pyrazol- 1- yl)methanone
Smiles: Clc1ccc2c(c1)sc(c2Cl)C(=O)n1nc(cc1C)C

STK840979
Synonyms: 5- (4- chlorophenyl)- 3- (4- methylphenyl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazole
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)Cl)S(=O)(=O)C

STK541663
Synonyms: dipropan- 2- yl[(2,5- dimethoxyphenyl)(hydroxy)methyl]phosphonate
Smiles: COc1ccc(cc1C(P(=O)(OC(C)C)OC(C)C)O)OC

STK840980
Synonyms: N- (naphthalen- 1- yl)- 4- phenyltetrahydro- 2H- pyran- 4- carboxamide
Smiles: O=C(C1(CCOCC1)c1ccccc1)Nc1cccc2c1cccc2

STK840981
Synonyms: (5Z)- 3- (3- hydroxyphenyl)- 5- (1H- indol- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1cccc(c1)N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK840985
Synonyms: 2- {[3- cyano- 4- (2- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)OC)NC(=O)CC1c1ccccc1C

STK840986
Synonyms: ethyl2- (4- methoxyphenyl)- 5- [(pentafluorobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1c(F)c(F)c(c(c1F)F)F)cc2)c1ccc(cc1)OC

STK541668
Synonyms: 2- (ethylsulfanyl)- 6- iodo- 3- (4- methylphenyl)quinazolin- 4(3H)- one
Smiles: CCSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I

STK541670
Synonyms: ethyl3- [(methylcarbamothioyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NC)cccc2

STK840988
Synonyms: 2- {[5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]amino}ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK541678
Synonyms: 4- [(6aS,6bR,9aS,10R)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 7,9- dioxo- 6b,7,9a,10- tetrahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinolin- 8(9H)- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)n2nnc3c2cccc3)c2ccccc2C=C1

STK840989
Synonyms: N- (1,3- benzodioxol- 5- yl)- 4- (morpholin- 4- ylsulfonyl)benzamide
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)Nc1ccc2c(c1)OCO2

STK840990
Synonyms: prop- 2- en- 1- yl6- ({2- [(5- chloro- 2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- 4- (4- methylphenyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1cc(Cl)ccc1C

STK541686
Synonyms: methyl6- {[2- (benzylamino)- 2- oxoethyl]sulfanyl}- 5- cyano- 4- (4- methylphenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)NCc1ccccc1

STK541688
Synonyms: 2- (acetylamino)- 4,5- dihydronaphtho[1,2- b]thiophene- 3- carboxylicacid
Smiles: CC(=O)Nc1sc2c(c1C(=O)O)CCc1c2cccc1

STK541689
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCO2

STK541690
Synonyms: 8- chloro- 4- [4- (2- fluorophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1F

STK840994
Synonyms: 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenyl2- methylbenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1C)C(=O)/C=C/c1ccc(cc1)F

STK541696
Synonyms: N- {2- [(furan- 2- ylmethyl)amino]cyclohexyl}benzenesulfonamide
Smiles: O=S(=O)(c1ccccc1)NC1CCCCC1NCc1ccco1

STK541697
Synonyms: 3- hexyl- 5- (morpholin- 4- ylmethyl)dihydrofuran- 2(3H)- one(non- preferredname)
Smiles: CCCCCCC1CC(OC1=O)CN1CCOCC1

STK840996
Synonyms: 2- ({4- [4- (benzyloxy)phenyl]- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl}sulfanyl)- N- (4- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC(=O)CC1c1ccc(cc1)OCc1ccccc1

STK541702
Synonyms: 7- (4- {[2- chloro- 5- (trifluoromethyl)phenyl]carbamothioyl}piperazin- 1- yl)- 1- ethyl- 6- fluoro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1cc(ccc1Cl)C(F)(F)F)c(c2)F

STK840997
Synonyms: 2- [(4- amino- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- [2- (morpholin- 4- yl)ethyl]acetamide
Smiles: O=C(CSc1nc(N)c2c(n1)sc1c2CCC1)NCCN1CCOCC1

STK541703
Synonyms: [hydroxy(2- phenylethyl)phosphoryl]aceticacid
Smiles: OC(=O)CP(=O)(CCc1ccccc1)O

STK541704
Synonyms: 2- amino- N- (3- fluorophenyl)- 1- hexyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cccc(c1)F

STK840998
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(2,6- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)Nc1c(C)cccc1C

STK541708
Synonyms: {[5- (1,3- benzodioxol- 5- yl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}aceticacid
Smiles: C=CCn1c(SCC(=O)O)nnc1c1ccc2c(c1)OCO2

STK541712
Synonyms: 2- {[5- (3- chloro- 1- benzothiophen- 2- yl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- phenylethanone
Smiles: C=CCn1c(SCC(=O)c2ccccc2)nnc1c1sc2c(c1Cl)cccc2

STK541713
Synonyms: methyl4- {2- [(2E)- 2- (2- nitrobenzylidene)hydrazinyl]- 2- oxoethoxy}benzoate
Smiles: COC(=O)c1ccc(cc1)OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-]

STK841000
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4,6- dimethyl- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)NCCC1=CCCCC1

STK841001
Synonyms: methyl5- cyclohexyl- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2C1C(=O)N(C2=O)C1CCCCC1

STK541724
Synonyms: 2,2- dimethyl- 2'- (thiophen- 2- yl)- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CC1(C)OCCC2(C1)Oc1ccccc1C1N2N=C(C1)c1cccs1

STK541727
Synonyms: 6- {(2Z)- 2- [1- (4- methylphenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: Cc1ccc(cc1)/C(=N\Nc1ccc2n(n1)cnn2)/C

STK541728
Synonyms: 1- (4- {[5- (4- nitrophenyl)furan- 2- yl]carbonothioyl}piperazin- 1- yl)ethanone
Smiles: CC(=O)N1CCN(CC1)C(=S)c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]

STK541730
Synonyms: 6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: CC1CCc2c(C1)c1c(O)ncnc1s2

STK541736
Synonyms: 8- chloro- 3- cyclohexyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Clc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)C1CCCCC1

STK541741
Synonyms: 2- (5- amino- 1H- tetrazol- 1- yl)- N'- [(E)- (3- hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1cccc(c1)O

STK841005
Synonyms: 3- (2- chlorophenyl)- 6- ethyl- 7- methoxy- 4H- chromene- 4- thione
Smiles: CCc1cc2c(cc1OC)occ(c2=S)c1ccccc1Cl

STK541745
Synonyms: 2- {[3- (morpholin- 4- yl)quinoxalin- 2- yl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCOCC2)sc2c1CCCC2

STK541749
Synonyms: 2'- (5- bromothiophen- 2- yl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc(s1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(C)C

STK841006
Synonyms: 2- (4- fluorophenyl)- 2- oxoethyl1- [(4- fluorophenyl)sulfonyl]piperidine- 4- carboxylate
Smiles: Fc1ccc(cc1)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)F

STK841007
Synonyms: 1- [5- (2- chloro- 7- methoxyquinolin- 3- yl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: COc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)C)c1ccc(cc1)C)Cl

STK541759
Synonyms: methyl4- [(E)- (2- {[4- (4- chlorobenzyl)piperazin- 1- yl]acetyl}hydrazinylidene)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)CN1CCN(CC1)Cc1ccc(cc1)Cl

STK541763
Synonyms: (4E)- 5- (4- tert- butylphenyl)- 4- [hydroxy(5- methylfuran- 2- yl)methylidene]- 1- (pyridin- 3- ylmethyl)pyrrolidine- 2,3- dione
Smiles: Cc1ccc(o1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1cccnc1)/O

STK841009
Synonyms: 2- [4- (6- methyl- 4- phenylquinazolin- 2- yl)piperazin- 1- yl]ethanol
Smiles: OCCN1CCN(CC1)c1nc2ccc(cc2c(n1)c1ccccc1)C

STK841010
Synonyms: N- (1,3- benzodioxol- 5- yl)- 4- methoxy- 3- nitrobenzenesulfonamide
Smiles: COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccc2c(c1)OCO2

STK541768
Synonyms: ethyl3- [(cyclopropylcarbonyl)amino]- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1CC1)cc(cc2)F

STK541772
Synonyms: 5- (4- ethoxybenzyl)- 4,6- di(piperidin- 1- yl)pyrimidine
Smiles: CCOc1ccc(cc1)Cc1c(ncnc1N1CCCCC1)N1CCCCC1

STK841015
Synonyms: 4- chloro- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenyl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccccc1OC)Cl

STK841016
Synonyms: 8- [(4- benzylpiperidin- 1- yl)sulfonyl]quinoline
Smiles: O=S(=O)(c1cccc2c1nccc2)N1CCC(CC1)Cc1ccccc1

STK541784
Synonyms: 2,2'- {methanediylbis[(4- phenyl- 4H- 1,2,4- triazole- 5,3- diyl)sulfanediyl]}bis[1- (4- chlorophenyl)ethanone]
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)Cc1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1)Cl

STK841018
Synonyms: ethyl6- bromo- 2- tert- butyl- 5- [(2- methylprop- 2- en- 1- yl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCC(=C)C)c(cc2oc1C(C)(C)C)Br

STK541791
Synonyms: (4E)- 5- (2- chlorophenyl)- 4- (1- hydroxyethylidene)- 1- (pyridin- 3- ylmethyl)pyrrolidine- 2,3- dione
Smiles: C/C(=C/1\C(=O)C(=O)N(C1c1ccccc1Cl)Cc1cccnc1)/O

STK541793
Synonyms: 2'- (5- methylfuran- 2- yl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(o1)C

STK541798
Synonyms: 9'- bromo- 2'- (naphthalen- 2- yl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(C)C)c1ccc2c(c1)cccc2

STK841019
Synonyms: (2E)- 1- (5- chloro- 2- hydroxyphenyl)- 3- (2- methoxyphenyl)prop- 2- en- 1- one
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1O

STK841021
Synonyms: 3- amino- N- (1,3- benzothiazol- 2- yl)- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C1CC(C)(C)Cc2c1cc1c(n2)sc(c1N)C(=O)Nc1nc2c(s1)cccc2

STK841025
Synonyms: 2- {[3- cyano- 4- (4- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (2- ethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=O)CC1c1ccc(cc1)C

STK541810
Synonyms: (2E,3Z)- 2- [(4- chlorophenyl)imino]- 4- hydroxy- 1,4- diphenylbut- 3- en- 1- one
Smiles: Clc1ccc(cc1)/N=C(/C(=O)c1ccccc1)\C=C(\c1ccccc1)/O

STK541812
Synonyms: 2- amino- N- (4- ethoxyphenyl)- 1- (4- fluorobenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)F

STK541813
Synonyms: {[5- (3- chloro- 1- benzothiophen- 2- yl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}aceticacid
Smiles: C=CCn1c(SCC(=O)O)nnc1c1sc2c(c1Cl)cccc2

STK841029
Synonyms: 2- [(2E)- 3- (4- chlorophenyl)prop- 2- enoyl]- 5- methoxyphenyl2- methoxybenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1OC)C(=O)/C=C/c1ccc(cc1)Cl

STK541816
Synonyms: 5- methoxy- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl4- bromobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)Br)C(=O)/C=C/c1cccs1

STK841031
Synonyms: N- (2,3- dichlorophenyl)quinoline- 8- sulfonamide
Smiles: Clc1cccc(c1Cl)NS(=O)(=O)c1cccc2c1nccc2

STK541817
Synonyms: 2- ({3- cyano- 5- oxo- 4- [4- (propan- 2- yl)phenyl]- 1,4,5,6,7,8- hexahydroquinolin- 2- yl}sulfanyl)- N- (3,4- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC2=C(C1c1ccc(cc1)C(C)C)C(=O)CCC2

STK841032
Synonyms: 7- (dimethylamino)- 4- methoxy- 1- methylquinolin- 2(1H)- one
Smiles: COc1cc(=O)n(c2c1ccc(c2)N(C)C)C

STK541822
Synonyms: 2'- (3,4- dichlorophenyl)- 7'- methoxy- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C(C)C)N1C2CC(=N1)c1ccc(c(c1)Cl)Cl

STK541825
Synonyms: (6aS,6bR,9aS,10R)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 8- (4- methoxyphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)n2nnc3c2cccc3)c2ccccc2C=C1

STK541829
Synonyms: N- {[4- (3,4- dimethoxyphenyl)tetrahydro- 2H- pyran- 4- yl]methyl}- 3,5- dinitrobenzamide
Smiles: COc1cc(ccc1OC)C1(CCOCC1)CNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK841037
Synonyms: 4- bromo- 2- [(2E)- 3- (2,4- dichlorophenyl)prop- 2- enoyl]phenylmorpholine- 4- carboxylate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1Cl)Cl)OC(=O)N1CCOCC1

STK541833
Synonyms: 3,6- diamino- 5- cyano- N- (4- methoxy- 2- methylphenyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(c(c1)C)NC(=O)c1sc2c(c1N)cc(c(n2)N)C#N

STK541834
Synonyms: 4- bromo- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl4- fluorobenzoate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1ccc(cc1)F

STK541836
Synonyms: 5- {4- [(4- fluorophenyl)amino]phthalazin- 1- yl}- 2- methyl- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Fc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK841040
Synonyms: 4- [5,7- dibromo- 3- (5- methylfuran- 2- yl)- 1- benzofuran- 2- yl]butan- 2- one
Smiles: CC(=O)CCc1oc2c(c1c1ccc(o1)C)cc(cc2Br)Br

STK541837
Synonyms: 2,2'- {methanediylbis[(4- phenyl- 4H- 1,2,4- triazole- 5,3- diyl)sulfanediyl]}bis[1- (4- fluorophenyl)ethanone]
Smiles: Fc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)Cc1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1)F

STK541839
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 9'- bromo- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(C)C)c1ccc2c(c1)OCO2

STK541840
Synonyms: ethyl3- {[(3- chlorophenyl)carbamoyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1cccc(c1)Cl)cc(cc2)OC

STK541844
Synonyms: 2- [(4- methylquinolin- 2- yl)amino]ethanol
Smiles: OCCNc1cc(C)c2c(n1)cccc2

STK541847
Synonyms: 2- methyl- 3- (propylamino)cyclopent- 2- en- 1- one
Smiles: CC1=C(CCC1=O)NCCC

STK841041
Synonyms: 2- (2- {4,5- dimethoxy- 2- [(4- methylpiperidin- 1- yl)sulfonyl]phenyl}ethyl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCC(CC1)C

STK841044
Synonyms: 3,6- diamino- 2- (phenylcarbonyl)- 4- [4- (propan- 2- yl)phenyl]thieno[2,3- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1ccc(cc1)C(C)C)c(N)c(s2)C(=O)c1ccccc1

STK541862
Synonyms: 2- {2- [(8- iodo- 4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]ethyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: O=c1cc(C)c2c(o1)c(I)c(cc2)OCCN1C(=O)c2c(C1=O)cccc2

STK541864
Synonyms: 2- [4- (2- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- (2,4,5- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1Cl)OC

STK541865
Synonyms: ethyl5- cyano- 4- (2- ethoxyphenyl)- 6- ({2- [(3- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1cccc(c1)OC

STK541866
Synonyms: 1- benzyl- 2'- [4- (difluoromethoxy)phenyl]- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: FC(Oc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1)F

STK541870
Synonyms: (2E,5Z)- 5- (2,4- dimethoxybenzylidene)- 2- [(4- hydroxyphenyl)imino]- 1,3- thiazolidin- 4- one
Smiles: COc1cc(OC)ccc1/C=C/1\S/C(=N/c2ccc(cc2)O)/NC1=O

STK841048
Synonyms: 2- methoxyethyl6- bromo- 2- methyl- 5- [(4- nitrobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)[N+](=O)[O-])c(c2)Br

STK541875
Synonyms: methyl6- {[2- (benzylamino)- 2- oxoethyl]sulfanyl}- 5- cyano- 4- (2- fluorophenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)NCc1ccccc1

STK541876
Synonyms: 4- chloro- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl2- bromobenzoate
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1ccccc1Br

STK841050
Synonyms: N- benzyl- 2- {[3- cyano- 4- (2- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)CC1c1ccccc1OC

STK841053
Synonyms: 2- tert- butyl- 3- (ethoxycarbonyl)- 1- benzofuran- 5- ylmorpholine- 4- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)N1CCOCC1

STK541880
Synonyms: N- benzyl- 2- {[3- cyano- 4- (4- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)CC1c1ccc(cc1)C

STK541885
Synonyms: 4- chloro- 6- hydrazinyl- 5- [4- (2- methylpropoxy)benzyl]- 2- (methylsulfanyl)pyrimidine
Smiles: CSc1nc(Cl)c(c(n1)NN)Cc1ccc(cc1)OCC(C)C

STK841054
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 4- (2- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=O)CC1c1ccccc1OC

STK541890
Synonyms: 4- (5- chloro- 2- methoxybenzyl)morpholine
Smiles: COc1ccc(cc1CN1CCOCC1)Cl

STK541891
Synonyms: 2- {2- [4,5- dimethoxy- 2- ({4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}sulfonyl)phenyl]ethyl}- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCN(CC1)C/C=C/c1ccccc1

STK841059
Synonyms: 2- [(3- methylbutyl)sulfanyl]- 4- (4- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCCC(C)C)NC(=O)CC1c1ccc(cc1)C

STK541896
Synonyms: 6- (3- fluorophenyl)- 6H- benzo[b]indeno[1,2- e][1,4]thiazepin- 5- ol
Smiles: Fc1cccc(c1)C1Sc2ccccc2N=C2C1=C(O)c1c2cccc1

STK541898
Synonyms: (3aR,6aS)- 3- (3,4- dimethoxyphenyl)- 5- (4- fluorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)F

STK841062
Synonyms: ethyl6- bromo- 5- (3,3- dimethyl- 2- oxobutoxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)C(C)(C)C)c(c2)Br

STK841067
Synonyms: 1- [5- (2- chloro- 6- methoxyquinolin- 3- yl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1C(=O)C)c1ccc(cc1)C

STK841068
Synonyms: N- (6- chloropyridin- 2- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: Clc1cccc(n1)Nc1ccc2c(c1[N+](=O)[O-])non2

STK541910
Synonyms: (2E)- 1- (4- bromophenyl)- 3- (2- methyl- 1H- indol- 3- yl)prop- 2- en- 1- one
Smiles: Brc1ccc(cc1)C(=O)/C=C/c1c(C)[nH]c2c1cccc2

STK541912
Synonyms: 3- (2- {[(E)- (4- methoxyphenyl)methylidene]amino}- 1,3- thiazol- 4- yl)- 2H- chromen- 2- one
Smiles: COc1ccc(cc1)/C=N/c1scc(n1)c1cc2ccccc2oc1=O

STK541914
Synonyms: (2E)- 3- {3- [(1,3- benzodioxol- 5- ylmethyl)sulfamoyl]- 4- methylphenyl}prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)NCc1ccc2c(c1)OCO2)C

STK541916
Synonyms: 1- ethyl- N'- [(E)- (4- hydroxyphenyl)methylidene]- 2- methyl- 1H- benzimidazole- 5- carbohydrazide
Smiles: CCn1c(C)nc2c1ccc(c2)C(=O)N/N=C/c1ccc(cc1)O

STK541917
Synonyms: 8- chloro- 4- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)- 5H- pyrimido[5,4- b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCC2(CC1)OCCO2

STK541918
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(1E)- 1- (4- nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C

STK541919
Synonyms: 2'- (2- chlorophenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccc1Cl

STK541921
Synonyms: 2- (3- bromo- 4- fluorophenyl)- 5- (4- chlorophenyl)- 4- phenyl- 1H- imidazole
Smiles: Clc1ccc(cc1)c1[nH]c(nc1c1ccccc1)c1ccc(c(c1)Br)F

STK541923
Synonyms: N- benzyl- 2- [(2- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc(C)nc2c1c1CCCCc1s2

STK841072
Synonyms: 2,2- dimethyl- 2H- benzimidazole1,3- dioxide
Smiles: CC1(C)[N+](=c2c(=[N+]1[O-])cccc2)[O-]

STK541924
Synonyms: 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]- 4- methylphenyl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccc(cc1)F)C

STK541927
Synonyms: 6- [(2E)- 2- (2- ethoxybenzylidene)hydrazinyl][1,2,4]triazolo[4,3- b]pyridazine
Smiles: CCOc1ccccc1/C=N/Nc1ccc2n(n1)cnn2

STK541929
Synonyms: 2- [(3- chloroquinoxalin- 2- yl)amino]- 4,5- dimethylthiophene- 3- carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2Cl)sc(c1C)C

STK841074
Synonyms: 4- bromo- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenyl3- nitrobenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1OC(=O)c1cccc(c1)[N+](=O)[O-]

STK841075
Synonyms: 4- fluoro- 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]phenyl4- fluorobenzoate
Smiles: Fc1ccc(cc1)/C=C/C(=O)c1cc(F)ccc1OC(=O)c1ccc(cc1)F

STK841076
Synonyms: ethyl2- tert- butyl- 5- [(2- chloro- 4- fluorobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(cc3Cl)F)ccc2oc1C(C)(C)C

STK841077
Synonyms: 1- benzyl- N- (3- fluorophenyl)- 4- hydroxy- 2- oxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1c(O)c2CCCCc2n(c1=O)Cc1ccccc1

STK541942
Synonyms: 3- hydroxy- N- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O

STK841080
Synonyms: 2- {[3- cyano- 4- (4- ethylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC(=O)CC1c1ccc(cc1)CC

STK541947
Synonyms: (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl4- {[(4- butoxyphenyl)acetyl]amino}butanoate
Smiles: CCCCOc1ccc(cc1)CC(=O)NCCCC(=O)OCN1C(=O)c2c(C1=O)cccc2

STK541948
Synonyms: prop- 2- en- 1- yl5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1ccccc1C

STK841081
Synonyms: N- (4- chloro- 2- fluorophenyl)quinoline- 8- sulfonamide
Smiles: Clc1ccc(c(c1)F)NS(=O)(=O)c1cccc2c1nccc2

STK841082
Synonyms: N- (4- bromophenyl)- 2- {[3- cyano- 4- (4- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC2=C(C1c1ccc(cc1)C)C(=O)CCC2

STK841084
Synonyms: (4E)- 5- (3,4- dimethoxyphenyl)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccco2)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK841086
Synonyms: 1- (morpholin- 4- yl)- 2- (4'H- spiro[cyclopentane- 1,3'- isoquinolin]- 1'- yl)ethanone
Smiles: O=C(N1CCOCC1)CC1=NC2(CCCC2)Cc2c1cccc2

STK541959
Synonyms: N- [2,2,2- trichloro- 1- (formylamino)ethyl]azepane- 1- carbothioamide
Smiles: O=CNC(C(Cl)(Cl)Cl)NC(=S)N1CCCCCC1

STK541961
Synonyms: 3- butyl- 2- ethyl- 8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCCCn1c(CC)nc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C

STK541963
Synonyms: 2- (methylsulfonyl)- 6- nitro- 1,3- benzothiazole
Smiles: [O-][N+](=O)c1ccc2c(c1)sc(n2)S(=O)(=O)C

STK541964
Synonyms: N'- {(E)- [3- (benzyloxy)phenyl]methylidene}- 2- (4- benzylpiperazin- 1- yl)acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C/c1cccc(c1)OCc1ccccc1

STK541965
Synonyms: 4- hydroxy- N- (3- hydroxypyridin- 2- yl)- 2- oxo- 1- propyl- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)Nc1ncccc1O)O

STK841087
Synonyms: ethyl6- bromo- 2- tert- butyl- 5- [(3- nitrobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3cccc(c3)[N+](=O)[O-])c(cc2oc1C(C)(C)C)Br

STK541966
Synonyms: 2- (hexylsulfanyl)- 4- (4- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C

STK541972
Synonyms: 2'- (naphthalen- 1- yl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: c1ccc(cc1)C1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1cccc2c1cccc2

STK541979
Synonyms: [(1R,2S,3R,3aR)- 2- (3,4- dimethoxyphenyl)- 3- nitro- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinolin- 1- yl](phenyl)methanone
Smiles: COc1cc(ccc1OC)[C@@H]1[C@@H]([N+](=O)[O-])[C@@H]2N([C@H]1C(=O)c1ccccc1)c1ccccc1C=C2

STK541984
Synonyms: prop- 2- en- 1- yl5- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 6- [(2- methoxy- 2- oxoethyl)sulfanyl]- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)OC

STK541985
Synonyms: 4- [(E)- {2- [(1,3- benzoxazol- 2- ylsulfanyl)acetyl]hydrazinylidene}methyl]- 2- methoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)CSc2nc3c(o2)cccc3)ccc1OC(=O)C

STK541986
Synonyms: 2- ({[(2- chlorophenyl)carbonyl]carbamothioyl}amino)- 6- ethyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)c1ccccc1Cl

STK541988
Synonyms: N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 2- [4- (1H- tetrazol- 1- yl)phenoxy]acetohydrazide
Smiles: O=C(COc1ccc(cc1)n1cnnn1)N/N=C/c1cc(Br)ccc1O

STK841095
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- fluorophenylthiophene- 2- carboxylate
Smiles: COc1ccc(cc1OC)/C=C/C(=O)c1cc(F)ccc1OC(=O)c1cccs1

STK541999
Synonyms: 1- ethyl- 6- fluoro- 7- [4- (naphthalen- 1- ylcarbamoyl)piperazin- 1- yl]- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)Nc1cccc3c1cccc3)c(c2)F

STK841097
Synonyms: 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]- 4- methylphenylthiophene- 2- carboxylate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC(=O)c1cccs1

STK542010
Synonyms: 2- cyano- 2- [3- (diethylamino)quinoxalin- 2- yl]- N- hexylacetamide
Smiles: CCCCCCNC(=O)C(c1nc2ccccc2nc1N(CC)CC)C#N

STK841101
Synonyms: 4- hydroxy- 1- (2- methylpropyl)- 2- oxo- N- (1,3- thiazol- 2- yl)- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: CC(Cn1c2CCCCc2c(c(c1=O)C(=O)Nc1nccs1)O)C

STK542017
Synonyms: (4E)- 1- (4- fluorophenyl)- 4- (1- hydroxyethylidene)- 5- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)C1/C(=C(\O)/C)/C(=O)C(=O)N1c1ccc(cc1)F

STK841102
Synonyms: 2,2'- (methanediyldisulfanediyl)bis(7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydroquinoline- 3- carbonitrile)
Smiles: N#Cc1cc2C(=O)CC(Cc2nc1SCSc1nc2CC(C)(C)CC(=O)c2cc1C#N)(C)C

STK542020
Synonyms: 2- cyano- N- (2- methoxybenzyl)- 2- (3- {4- [(E)- 2- phenylethenyl]piperazin- 1- yl}quinoxalin- 2- yl)acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)/C=C/c1ccccc1)C(=O)NCc1ccccc1OC

STK542021
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)NC(=O)CC1c1ccccc1F

STK542024
Synonyms: 2- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- methylbutanoicacid
Smiles: CC(C(N1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)C(=O)O)C

STK841104
Synonyms: 5- methoxy- 2- [(2E)- 3- (4- methylphenyl)prop- 2- enoyl]phenyl3- nitrobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)/C=C/c1ccc(cc1)C

STK841106
Synonyms: 4- bromo- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenylthiophene- 2- carboxylate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1cccs1

STK841107
Synonyms: 2- [(2E)- 3- (4- chlorophenyl)prop- 2- enoyl]- 4- fluorophenylfuran- 2- carboxylate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)Cl)OC(=O)c1ccco1

STK542036
Synonyms: 2- (2- {4- [(3,4,5- trimethoxyphenyl)carbonyl]piperazin- 1- yl}ethyl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1cc(cc(c1OC)OC)C(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK542040
Synonyms: 1- benzyl- 9'- bromo- 2'- (thiophen- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1cccs1

STK542049
Synonyms: 4- (2,3- dichlorophenyl)- 2- (3,4- dimethoxyphenyl)- 5- phenyl- 1H- imidazole
Smiles: COc1ccc(cc1OC)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK841110
Synonyms: N- (3- fluorophenyl)- 4- hydroxy- 2- oxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1c(=O)[nH]c2c(c1O)CCCC2

STK542056
Synonyms: 4- (2,3- dichlorophenyl)- 2- (hexylsulfanyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: CCCCCCSC1=C(C(C2=C(N1)CCCC2=O)c1cccc(c1Cl)Cl)C#N

STK542057
Synonyms: (2E)- 3- (2,4- dichlorophenyl)- 1- (furan- 2- yl)prop- 2- en- 1- one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)c1ccco1

STK542059
Synonyms: N- (2- aminoethyl)- 4- hydroxy- 2- oxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: NCCNC(=O)c1c(=O)[nH]c2c(c1O)CCCC2

STK542062
Synonyms: methyl3- {[hydrazinyl(oxo)acetyl]amino}- 5- methyl- 1H- indole- 2- carboxylate
Smiles: NNC(=O)C(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK542064
Synonyms: 1- amino- N- (4- methoxyphenyl)- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK542065
Synonyms: ethyl6- bromo- 5- [(3- bromobenzyl)oxy]- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cccc(c1)Br)c(c2)Br)c1ccccc1

STK542070
Synonyms: (3aR,4S,9aR,9bS)- 4- [(4- bromophenyl)carbonyl]- 2- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)C(=O)c1ccccc1

STK542071
Synonyms: (2E)- 3- [3- (2,3- dihydro- 1H- indol- 1- ylsulfonyl)- 4- methoxyphenyl]prop- 2- enoicacid
Smiles: COc1ccc(cc1S(=O)(=O)N1CCc2c1cccc2)/C=C/C(=O)O

STK542073
Synonyms: 2'- (4- fluorophenyl)- 2,2- dimethyl- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Fc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C

STK542074
Synonyms: 2- [1- (prop- 2- en- 1- ylamino)ethylidene]cyclopentane- 1,3- dione
Smiles: C=CCNC(=C1C(=O)CCC1=O)C

STK542078
Synonyms: prop- 2- en- 1- yl6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1cccc(c1)Cl

STK542080
Synonyms: 1- (5- methoxy- 1H- indol- 3- yl)- 2- [4- (4- nitrophenyl)piperazin- 1- yl]ethanone
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STK542081
Synonyms: (4Z)- 1- (5- bromopyridin- 2- yl)- 4- (1- hydroxyethylidene)- 5- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)C1/C(=C(/O)\C)/C(=O)C(=O)N1c1ccc(cn1)Br

STK841117
Synonyms: 2- {[3- cyano- 4- (4- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (3,4- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC2=C(C1c1ccc(cc1)C)C(=O)CCC2

STK841118
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- [(5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 1,3,4- oxadiazol- 2- yl)sulfanyl]acetamide
Smiles: COc1cc(CCNC(=O)CSc2nnc(o2)CSc2nc(C)cc(n2)C)ccc1OC

STK542087
Synonyms: N- [1- (1- benzyl- 1H- benzimidazol- 2- yl)ethyl]furan- 2- carboxamide
Smiles: O=C(c1ccco1)NC(c1nc2c(n1Cc1ccccc1)cccc2)C

STK841120
Synonyms: 5- (4- butoxybenzyl)- 6- chloro- N,N- dimethyl- 2- (methylsulfanyl)pyrimidin- 4- amine
Smiles: CCCCOc1ccc(cc1)Cc1c(Cl)nc(nc1N(C)C)SC

STK841121
Synonyms: 5- amino- 1- cyclopentyl- 1H- pyrazol- 3- ol
Smiles: Nc1cc(nn1C1CCCC1)O

STK841122
Synonyms: N'- [(1Z)- 1- (pyridin- 4- yl)ethylidene]pyrazine- 2- carbohydrazide
Smiles: O=C(c1cnccn1)N/N=C(\c1ccncc1)/C

STK542098
Synonyms: 1- butyl- 2- methyl- 1H- indol- 5- ol
Smiles: CCCCn1c(C)cc2c1ccc(c2)O

STK542102
Synonyms: 3- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 7- [(2- chloro- 6- fluorobenzyl)oxy]- 2H- chromen- 2- one
Smiles: Brc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2oc1=O)OCc1c(F)cccc1Cl

STK841128
Synonyms: methyl[(5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 1,3,4- oxadiazol- 2- yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nnc(o1)CSc1nc(C)cc(n1)C

STK542110
Synonyms: methylN- acetyl- 3,3,3- trifluoro- 2- [2- (2- methylphenyl)hydrazinyl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)C)NNc1ccccc1C

STK841129
Synonyms: 1- (4- {[5- (3- nitrophenyl)furan- 2- yl]carbonothioyl}piperazin- 1- yl)ethanone
Smiles: CC(=O)N1CCN(CC1)C(=S)c1ccc(o1)c1cccc(c1)[N+](=O)[O-]

STK542111
Synonyms: 6- [(2E)- 2- (4- propoxybenzylidene)hydrazinyl][1,2,4]triazolo[4,3- b]pyridazine
Smiles: CCCOc1ccc(cc1)/C=N/Nc1ccc2n(n1)cnn2

STK542114
Synonyms: 2- [(4- methylphenyl)amino]- 3- [(E)- (phenylimino)methyl]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)Nc1nc2ccccn2c(=O)c1/C=N/c1ccccc1

STK841130
Synonyms: 2- {[3- cyano- 4- (3- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)NC(=O)CC1c1cccc(c1)OC

STK542125
Synonyms: 2- {[4- amino- 6- (propan- 2- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N,N- diethylacetamide
Smiles: CCN(C(=O)CSc1nc(N)c2c(n1)sc1c2CC(OC1)C(C)C)CC

STK542132
Synonyms: (3aR,6aS)- 3- (3,4- dimethoxyphenyl)- 5- (4- methylphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C

STK542144
Synonyms: N- {[(4- methoxybut- 2- yn- 1- yl)oxy]methyl}morpholine- 4- carbothioamide
Smiles: COCC#CCOCNC(=S)N1CCOCC1

STK841135
Synonyms: 2- (3,4- dimethoxyphenyl)- 5- phenyl- 4- (thiophen- 2- yl)- 1H- imidazole
Smiles: COc1ccc(cc1OC)c1[nH]c(c(n1)c1cccs1)c1ccccc1

STK841136
Synonyms: (2E)- 2- (quinolin- 2- ylmethylidene)hydrazinecarbothioamide
Smiles: NC(=S)N/N=C/c1ccc2c(n1)cccc2

STK841139
Synonyms: 4- chloro- N- [2- (pyridin- 2- ylsulfanyl)cyclohexyl]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1Sc1ccccn1

STK542150
Synonyms: N- (3- fluorophenyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1ccc(=O)oc1

STK542152
Synonyms: 7- benzyl- 8- [(2- ethoxyethyl)sulfanyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCOCCSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C

STK542153
Synonyms: 2'- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCCO2

STK542156
Synonyms: 2- (2,4- dimethoxy- 3- methylphenyl)- 5- phenyl- 4- (thiophen- 2- yl)- 1H- imidazole
Smiles: COc1ccc(c(c1C)OC)c1[nH]c(c(n1)c1cccs1)c1ccccc1

STK542157
Synonyms: 2- {[3- (piperidin- 1- yl)quinoxalin- 2- yl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCCCC2)sc2c1CCCC2

STK542161
Synonyms: 1,4- di(pyridin- 2- yl)piperazine
Smiles: c1ccc(nc1)N1CCN(CC1)c1ccccn1

STK542166
Synonyms: methyl4- amino- 1- octyl- 2- oxo- 1,2- dihydroquinoline- 3- carboxylate
Smiles: CCCCCCCCn1c2ccccc2c(c(c1=O)C(=O)OC)N

STK841144
Synonyms: 6- methoxy- 3- {2- [(4- methylphenyl)amino]- 1,3- thiazol- 4- yl}- 2H- chromen- 2- one
Smiles: COc1ccc2c(c1)cc(c(=O)o2)c1csc(n1)Nc1ccc(cc1)C

STK542173
Synonyms: 2- amino- N- cyclopropyl- 1- [3- (trifluoromethyl)phenyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: O=C(c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1)C(F)(F)F)NC1CC1

STK542178
Synonyms: 6- iodo- 3- (2- methoxyphenyl)- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: COc1ccccc1n1c(/C=C/c2cccnc2)nc2c(c1=O)cc(cc2)I

STK542182
Synonyms: methyl6a- methyl- 4,6- dioxo- 5- (2,4,6- trimethylphenyl)- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1c(C)cc(cc1C)C)C

STK542188
Synonyms: N'- [(1E,2Z)- 3- (furan- 2- yl)- 2- methylprop- 2- en- 1- ylidene]- 2- ({5- [(4- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C/C(=C\c1ccco1)/C

STK841148
Synonyms: 1- [(2,4- dimethyl- 5- nitrophenyl)sulfonyl]- 1,2,3,4- tetrahydroquinoline
Smiles: Cc1cc(C)c(cc1S(=O)(=O)N1CCCc2c1cccc2)[N+](=O)[O-]

STK542189
Synonyms: methyl4- [(1H- benzotriazol- 1- ylmethyl)amino]- 1,2,5- oxadiazole- 3- carboxylate
Smiles: COC(=O)c1nonc1NCn1nnc2c1cccc2

STK542190
Synonyms: 2'- (naphthalen- 2- yl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CC(N1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)cccc2)C

STK542191
Synonyms: ethyl5- (2- {2- [(2- methylphenyl)carbonyl]hydrazinyl}- 2- oxoethoxy)- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)NNC(=O)c1ccccc1C)cc2)c1ccccc1

STK542193
Synonyms: N- [2- (cyclopropylcarbonyl)- 1- benzofuran- 3- yl]- 2- (4- phenylpiperazin- 1- yl)acetamide
Smiles: O=C(Nc1c(oc2c1cccc2)C(=O)C1CC1)CN1CCN(CC1)c1ccccc1

STK841153
Synonyms: ethyl3- hydroxy- 5- oxo- 2,3,7,8- tetrahydro- 5H,6H- cyclopenta[4,5]thieno[2,3- d][1,3]thiazolo[3,2- a]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)C1(O)CSc2n1c(=O)c1c(n2)sc2c1CCC2

STK841154
Synonyms: 1- hydroxy- 3- propylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCc1cc(O)n2c(c1C#N)nc1c2cccc1

STK542199
Synonyms: 2- {3- [(3aS,6aS)- 5- (4- fluorophenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazol- 3- yl]- 3- oxopropyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C(C1=NN[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)F)CCN1C(=O)c2c(C1=O)cccc2

STK542200
Synonyms: ethyl3- (1,3- benzothiazol- 2- yl)- 7- hydroxy- 8- methyl- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(C)c(O)ccc2c(=O)c1c1nc2c(s1)cccc2

STK841156
Synonyms: 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]- 4- methoxyphenyl4- nitrobenzoate
Smiles: COc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK542206
Synonyms: N- benzyl- 8- chloropyrimido[4,5- b][1,4]benzoxazepin- 4- amine
Smiles: Clc1ccc2c(c1)C=Nc1c(O2)ncnc1NCc1ccccc1

STK542208
Synonyms: ethyl5- bromo- 3- {[3- (thiomorpholin- 4- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCSCC1)cc(cc2)Br

STK841158
Synonyms: 4- chloro- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenylthiophene- 2- carboxylate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1cccs1

STK542214
Synonyms: N- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- hydroxybenzamide
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O

STK542215
Synonyms: (2E)- 3- [3- (1,3- benzodioxol- 5- ylsulfamoyl)- 4- methylphenyl]prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)Nc1ccc2c(c1)OCO2)C

STK542216
Synonyms: 2,6- bis(4- chlorophenyl)- 3- methyl- 4- propylpiperidin- 4- ol
Smiles: CCCC1(O)CC(NC(C1C)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK841161
Synonyms: ethyl1- (furan- 2- ylmethyl)- 4- hydroxy- 2- oxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: CCOC(=O)c1c(O)c2CCCCc2n(c1=O)Cc1ccco1

STK542222
Synonyms: 3- (diethylamino)- 2,2- dimethylpropyl5- methyl- 1- benzofuran- 2- carboxylate
Smiles: CCN(CC(COC(=O)c1cc2c(o1)ccc(c2)C)(C)C)CC

STK841164
Synonyms: 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]- 4- methylphenyl3- methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccc(cc1)F)C

STK542229
Synonyms: 5- (4- chlorophenyl)- 1,1- diphenyl- 5- azaspiro[2.4]heptane- 4,6- dione
Smiles: Clc1ccc(cc1)N1C(=O)CC2(C1=O)CC2(c1ccccc1)c1ccccc1

STK841169
Synonyms: methyl4- ({[5- (3- methoxyphenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzoate
Smiles: COc1cccc(c1)c1nnc(n1c1ccccc1)SCc1ccc(cc1)C(=O)OC

STK841170
Synonyms: 2- {[4- (3- bromophenyl)- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (2- ethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=O)CC1c1cccc(c1)Br

STK841171
Synonyms: ethyl({3- cyano- 5- oxo- 4- [4- (propan- 2- yl)phenyl]- 1,4,5,6,7,8- hexahydroquinolin- 2- yl}sulfanyl)acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)C

STK542237
Synonyms: [(5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl](phenyl)aceticacid
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O

STK542239
Synonyms: 6- chloro- N,2- dimethyl- N- (naphthalen- 1- ylmethyl)- 5- nitropyrimidin- 4- amine
Smiles: Cc1nc(N(Cc2cccc3c2cccc3)C)c(c(n1)Cl)[N+](=O)[O-]

STK542240
Synonyms: 4- (morpholin- 4- yl)- N- (naphthalen- 1- yl)quinazolin- 2- amine
Smiles: O1CCN(CC1)c1nc(nc2c1cccc2)Nc1cccc2c1cccc2

STK841173
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccccc1F

STK542245
Synonyms: (2Z)- 2- cyano- 2- (3,4- diphenyl- 1,3- thiazol- 2(3H)- ylidene)ethanamide
Smiles: N#C/C(=c\1/scc(n1c1ccccc1)c1ccccc1)/C(=O)N

STK542246
Synonyms: ethyl5- methoxy- 3- {[(2- methoxyphenyl)carbamoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1ccccc1OC)cc(cc2)OC

STK841176
Synonyms: (5- ethylthieno[2,3- b]thiophen- 2- yl)(4- phenylpiperazin- 1- yl)methanone
Smiles: CCc1cc2c(s1)sc(c2)C(=O)N1CCN(CC1)c1ccccc1

STK841178
Synonyms: N- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O

STK841179
Synonyms: (2E)- 3- (2,4- dichlorophenyl)- 1- (2- hydroxy- 4- methoxyphenyl)prop- 2- en- 1- one
Smiles: COc1ccc(c(c1)O)C(=O)/C=C/c1ccc(cc1Cl)Cl

STK542255
Synonyms: ethyl5- fluoro- 3- {[(2- methoxyphenyl)carbamoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1ccccc1OC)cc(cc2)F

STK542256
Synonyms: 4- (2,3- dichlorophenyl)- 2- (4- fluorophenyl)- 5- phenyl- 1H- imidazole
Smiles: Fc1ccc(cc1)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK841180
Synonyms: 3- [(4- methoxy- 3- nitrobenzyl)sulfanyl]- 5- methyl- 4H- 1,2,4- triazol- 4- amine
Smiles: COc1ccc(cc1[N+](=O)[O-])CSc1nnc(n1N)C

STK542257
Synonyms: (2E)- 1- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 3- (4- fluorophenyl)prop- 2- en- 1- one
Smiles: Fc1ccc(cc1)/C=C/C(=O)n1nc(cc1C)C

STK542259
Synonyms: 2- (hexylsulfanyl)- 5- oxo- 4- [4- (propan- 2- yl)phenyl]- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)C

STK841181
Synonyms: bis(2- methylpropyl)[(2,4- dimethoxyphenyl)(hydroxy)methyl]phosphonate
Smiles: COc1cc(OC)ccc1C(P(=O)(OCC(C)C)OCC(C)C)O

STK542263
Synonyms: N'- {(E)- [4- (benzyloxy)phenyl]methylidene}- 2- (4- benzylpiperazin- 1- yl)acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C/c1ccc(cc1)OCc1ccccc1

STK841186
Synonyms: 2- (4- bromophenyl)- 1- (2,4- dihydroxyphenyl)ethanone
Smiles: Brc1ccc(cc1)CC(=O)c1ccc(cc1O)O

STK542268
Synonyms: 5- cyano- 4- (3,4- dimethoxyphenyl)- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- N- phenylpyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccccc2C)nc(c(c1c1ccc(c(c1)OC)OC)C(=O)Nc1ccccc1)C

STK542269
Synonyms: 3- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}propanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCC(=O)O

STK841188
Synonyms: 4- chloro- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenyl3- nitrobenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1cccc(c1)[N+](=O)[O-]

STK841191
Synonyms: 3- {[4- (diphenylmethoxy)but- 2- yn- 1- yl](dimethyl)ammonio}propane- 1- sulfonate
Smiles: [O-]S(=O)(=O)CCC[N+](CC#CCOC(c1ccccc1)c1ccccc1)(C)C

STK542280
Synonyms: N'- [(1Z)- 1- (furan- 2- yl)ethylidene]pyrazine- 2- carbohydrazide
Smiles: O=C(c1cnccn1)N/N=C(\c1ccco1)/C

STK542281
Synonyms: 8- ethyl- 5- oxo- 2- [4- (phenylcarbamothioyl)piperazin- 1- yl]- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)Nc1ccccc1

STK542282
Synonyms: 3- (diethylamino)- 2,2- dimethylpropyl3- methyl- 1- benzofuran- 2- carboxylate
Smiles: CCN(CC(COC(=O)c1oc2c(c1C)cccc2)(C)C)CC

STK542284
Synonyms: (2E)- 3- (3- {[2- (3,4- dimethoxyphenyl)ethyl]sulfamoyl}- 4- methylphenyl)prop- 2- enoicacid
Smiles: COc1ccc(cc1OC)CCNS(=O)(=O)c1cc(/C=C/C(=O)O)ccc1C

STK542285
Synonyms: 3- (4- bromophenyl)- 5- (4- methoxyphenyl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazole
Smiles: COc1ccc(cc1)C1CC(=NN1S(=O)(=O)C)c1ccc(cc1)Br

STK841194
Synonyms: propan- 2- yl2- methyl- 5- {[(pentafluorophenoxy)acetyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: O=C(Oc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C)COc1c(F)c(F)c(c(c1F)F)F

STK542288
Synonyms: 4- (dibenzylamino)- 2- (dimethylamino)pyridine- 3- carbonitrile
Smiles: N#Cc1c(ccnc1N(C)C)N(Cc1ccccc1)Cc1ccccc1

STK841197
Synonyms: N'- [(1Z)- 1- (pyridin- 3- yl)ethylidene]pyrazine- 2- carbohydrazide
Smiles: O=C(c1cnccn1)N/N=C(\c1cccnc1)/C

STK542291
Synonyms: methyl2- (acetylamino)- N- (3- cyano- 4- ethyl- 5- methylthiophen- 2- yl)- 3,3,3- trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)C

STK841199
Synonyms: 5- methoxy- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl2- methoxybenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1OC)C(=O)/C=C/c1cccs1

STK542292
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- [(1Z)- 1- (thiophen- 2- yl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(\c1cccs1)/C)CSc1nc2c(o1)cccc2

STK542294
Synonyms: 4- (2,3- dichlorophenyl)- 2- (2- fluorophenyl)- 5- phenyl- 1H- imidazole
Smiles: Clc1cccc(c1Cl)c1nc([nH]c1c1ccccc1)c1ccccc1F

STK542296
Synonyms: 6- iodo- 3- (4- methylphenyl)- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(/C=C/c2cccnc2)nc2c(c1=O)cc(cc2)I

STK542301
Synonyms: 2- {[5- cyano- 3,3- dimethyl- 8- (morpholin- 4- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridin- 6- yl]sulfanyl}- N- phenylpropanamide
Smiles: N#Cc1c(SC(C(=O)Nc2ccccc2)C)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK542304
Synonyms: 2,4- dichloro- N- [5- oxo- 6- (trifluoromethyl)- 2,3,5,6- tetrahydroimidazo[2,1- b][1,3]thiazol- 6- yl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NC1(N=C2N(C1=O)CCS2)C(F)(F)F

STK841204
Synonyms: 4- fluoro- 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]phenyl3- methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccc(cc1)F)F

STK542308
Synonyms: methyl5- fluoro- 3- [(morpholin- 4- ylcarbonyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)N1CCOCC1)cc(cc2)F

STK841207
Synonyms: 6- iodo- 3- (3- methoxyphenyl)- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: COc1cccc(c1)n1c(/C=C/c2cccnc2)nc2c(c1=O)cc(cc2)I

STK542321
Synonyms: (2E)- 2- cyano- 3- (2- hydroxyphenyl)- N- (pyridin- 2- yl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccccc1O)/C(=O)Nc1ccccn1

STK542322
Synonyms: N~4~- [5- (diethylamino)pentan- 2- yl]- 2- [(E)- 2- (2,4,6- trichlorophenyl)ethenyl]quinazoline- 4,6- diamine
Smiles: CCN(CCCC(Nc1nc(/C=C/c2c(Cl)cc(cc2Cl)Cl)nc2c1cc(N)cc2)C)CC

STK542324
Synonyms: 2- {4- [(4- bromophenyl)sulfonyl]piperazin- 1- yl}- N'- [(E)- thiophen- 2- ylmethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1cccs1

STK542325
Synonyms: 6- [2- (2- chlorophenyl)- 7- methoxy- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1cccc2c1OC(N1C2CC(=N1)c1ccccc1Cl)c1ccc(c(c1C(=O)O)OC)OC

STK542337
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(3,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 4- (4- methylphenyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(c(c1)C)C

STK542338
Synonyms: 2- [(4- amino- 8,8- dimethyl- 8,9- dihydro- 6H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (pyridin- 2- yl)acetamide
Smiles: O=C(Nc1ccccn1)CSc1nc(N)c2c(n1)nc1c(c2)COC(C1)(C)C

STK542340
Synonyms: 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]- 4- methylphenyl4- nitrobenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK841217
Synonyms: 3- (4- chlorophenyl)- 1- hydroxyquinoxalin- 2(1H)- one4- oxide
Smiles: Clc1ccc(cc1)c1c(=O)n(O)c2c([n+]1[O-])cccc2

STK841218
Synonyms: 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]- 4- methylphenyl3- nitrobenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC(=O)c1cccc(c1)[N+](=O)[O-]

STK542345
Synonyms: 2,2'- {[4,4'- di(prop- 2- en- 1- yl)- 4H,4'H- 3,3'- bi- 1,2,4- triazole- 5,5'- diyl]disulfanediyl}bis[1- (4- chlorophenyl)ethanone]
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)Cl)nnc1c1nnc(n1CC=C)SCC(=O)c1ccc(cc1)Cl

STK841219
Synonyms: 2- (4- chlorophenyl)- 2- oxoethyl1- [(4- fluorophenyl)sulfonyl]piperidine- 4- carboxylate
Smiles: Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)c1ccc(cc1)Cl

STK841220
Synonyms: (5Z)- 3- [4- (diethylamino)phenyl]- 5- (4- fluorobenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)CC

STK542353
Synonyms: 1- [5- (2,3- dimethoxyphenyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- (pyrrolidin- 1- yl)ethanone
Smiles: COc1c(OC)cccc1C1CC(=NN1C(=O)CN1CCCC1)c1cccs1

STK841223
Synonyms: 4- (5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)pyridine
Smiles: c1ccc(cc1)/C=C/CSc1nnc(o1)c1ccncc1

STK542357
Synonyms: (2E)- 3- {3- [(4- benzylpiperidin- 1- yl)sulfonyl]- 4- methoxyphenyl}prop- 2- enoicacid
Smiles: COc1ccc(cc1S(=O)(=O)N1CCC(CC1)Cc1ccccc1)/C=C/C(=O)O

STK542358
Synonyms: N- (1- hydroxy- 2- methylpropan- 2- yl)tricyclo[4.3.1.1~3,8~]undecane- 1- carboxamide
Smiles: OCC(NC(=O)C12CC3CCC(C1)CC(C2)C3)(C)C

STK542361
Synonyms: (4E)- 5- [4- (dimethylamino)phenyl]- 1- [3- (dimethylamino)propyl]- 4- [hydroxy(4- methoxyphenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CCCN(C)C)/O

STK542363
Synonyms: 2,2'- {[6- (morpholin- 4- yl)- 1,3,5- triazine- 2,4- diyl]diimino}diaceticacid(non- preferredname)
Smiles: OC(=O)CNc1nc(NCC(=O)O)nc(n1)N1CCOCC1

STK542366
Synonyms: 2- amino- 6- cyclopropyl- 4- [4- (propan- 2- yl)phenyl]pyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc(cc1c1ccc(cc1)C(C)C)C1CC1

STK542367
Synonyms: 4- {5- (4- nitrophenyl)- 2- oxo- 3- [(4- sulfamoylphenyl)amino]- 2,5- dihydro- 1H- pyrrol- 1- yl}benzenesulfonamide
Smiles: O=C1C(=CC(N1c1ccc(cc1)S(=O)(=O)N)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)N

STK542368
Synonyms: N- (2- chlorophenyl)- 2- phenyl- 3,3a,4,8b- tetrahydro- 2H- indeno[2,1- d][1,2]oxazole- 3- carboxamide
Smiles: O=C(C1N(OC2C1Cc1c2cccc1)c1ccccc1)Nc1ccccc1Cl

STK841227
Synonyms: ethyl5- (2- tert- butoxy- 2- oxoethoxy)- 2- tert- butyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCC(=O)OC(C)(C)C)ccc2oc1C(C)(C)C

STK542375
Synonyms: N',N''- (1E,2Z)- propane- 1,2- diylidenebis[4- (propan- 2- yloxy)benzohydrazide]
Smiles: C/C(=N/NC(=O)c1ccc(cc1)OC(C)C)/C=N/NC(=O)c1ccc(cc1)OC(C)C

STK841235
Synonyms: (2E)- 3- (2- chlorophenyl)- 1- (2- hydroxy- 4- methoxyphenyl)prop- 2- en- 1- one
Smiles: COc1ccc(c(c1)O)C(=O)/C=C/c1ccccc1Cl

STK841236
Synonyms: 1- (morpholin- 4- yl)- 3- propylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCc1cc(N2CCOCC2)n2c(c1C#N)nc1c2cccc1

STK841237
Synonyms: N- benzyl- 2- [(5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 1,3,4- oxadiazol- 2- yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1nnc(o1)CSc1nc(C)cc(n1)C

STK542393
Synonyms: 2- [4- ({[3- (benzyloxy)phenyl]carbonyl}carbamothioyl)piperazin- 1- yl]- 8- ethyl- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1cccc(c1)OCc1ccccc1

STK542396
Synonyms: 2- (3- bromo- 4- methoxyphenyl)- 5- (4- bromophenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1ccc(cc1Br)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)Br

STK841239
Synonyms: 3- amino- N- (3- methoxyphenyl)- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C

STK841242
Synonyms: 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenylfuran- 2- carboxylate
Smiles: COc1ccc(c(c1)OC(=O)c1ccco1)C(=O)/C=C/c1ccccc1F

STK542404
Synonyms: N,N- diethyl- 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: CCN(CCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1)CC

STK542405
Synonyms: 5,5- diethyl- 2,6- diiminotetrahydropyrimidin- 4(1H)- one
Smiles: CCC1(CC)C(=N)NC(=N)NC1=O

STK542407
Synonyms: 2- {(E)- [2- (pyrazin- 2- ylcarbonyl)hydrazinylidene]methyl}benzoicacid
Smiles: O=C(c1cnccn1)N/N=C/c1ccccc1C(=O)O

STK542410
Synonyms: 1- (4- methoxyphenyl)- 3- (propylamino)pyrrolidine- 2,5- dione
Smiles: CCCNC1CC(=O)N(C1=O)c1ccc(cc1)OC

STK542415
Synonyms: 2',4- diphenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: c1ccc(cc1)C1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccc1

STK841245
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 5- methoxyphenyl3- nitrobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)/C=C/c1ccc(c(c1)OC)OC

STK542418
Synonyms: 2- {4- oxo- 4- [4- (pyridin- 2- yl)piperazin- 1- yl]butyl}- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: O=C(N1CCN(CC1)c1ccccn1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK542423
Synonyms: 2- methyl- 4- phenyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- b]pyridine
Smiles: Cc1nc2sc3c(c2c(c1)c1ccccc1)CCCC3

STK542428
Synonyms: 3,6- diamino- N- {2- [(2- chlorobenzyl)sulfanyl]phenyl}- 5- cyanothieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)Nc1ccccc1SCc1ccccc1Cl

STK841248
Synonyms: ethyl5- {2- oxo- 2- [(2E)- 2- (thiophen- 2- ylmethylidene)hydrazinyl]ethoxy}- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)N/N=C/c1cccs1)cc2)c1ccccc1

STK542430
Synonyms: 9'- bromo- 2'- (furan- 2- yl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccco1

STK542431
Synonyms: ethyl2- [(3- chloroquinoxalin- 2- yl)amino]- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc(c1C)C

STK841249
Synonyms: 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenyl4- methoxybenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)OC)C(=O)/C=C/c1ccc(cc1)F

STK841250
Synonyms: 1- benzyl- 4- nitro- 1H- imidazole
Smiles: [O-][N+](=O)c1ncn(c1)Cc1ccccc1

STK841251
Synonyms: 1- hydroxy- 3- (4- phenoxyphenyl)quinoxalin- 2(1H)- one4- oxide
Smiles: On1c(=O)c(c2ccc(cc2)Oc2ccccc2)[n+](c2c1cccc2)[O-]

STK542435
Synonyms: 8- chloro- 4- (morpholin- 4- yl)- 5,6- dihydropyrimido[4,5- b][1,4]benzoxazepine
Smiles: Clc1ccc2c(c1)CNc1c(O2)ncnc1N1CCOCC1

STK841253
Synonyms: 5- methoxy- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenylthiophene- 2- carboxylate
Smiles: COc1ccc(c(c1)OC(=O)c1cccs1)C(=O)/C=C/c1ccccc1OC

STK841254
Synonyms: 2- [(1E)- 3- oxo- 3- phenylprop- 1- en- 1- yl]phenyl3- nitrobenzoate
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccccc1/C=C/C(=O)c1ccccc1

STK841255
Synonyms: 4- chloro- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenylfuran- 2- carboxylate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1ccco1

STK542441
Synonyms: 3- hydroxy- N- [(5Z)- 4- oxo- 5- (pyridin- 4- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Oc1cccc(c1)C(=O)NN1C(=S)S/C(=C\c2ccncc2)/C1=O

STK542442
Synonyms: 2'- (3,4- dichlorophenyl)- 1- methyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(c(c1)Cl)Cl

STK841256
Synonyms: N- (3- chloro- 4- methylphenyl)- 2- {[3- cyano- 4- (2- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC(=O)CC1c1ccccc1OC

STK542444
Synonyms: [(3E)- 2- (2- fluorophenyl)- 3- (1- hydroxyethylidene)- 4,5- dioxopyrrolidin- 1- yl]aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccccc1F

STK841258
Synonyms: prop- 2- en- 1- yl5- cyano- 6- [(2- ethoxy- 2- oxoethyl)sulfanyl]- 4- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)OCC

STK542447
Synonyms: 6- {(2E)- 2- [1- (3- methoxyphenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: COc1cccc(c1)/C(=N/Nc1ccc2n(n1)cnn2)/C

STK542450
Synonyms: 2- {[3- cyano- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (3,4- dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK542451
Synonyms: N- [3- methyl- 1- (4- nitrophenyl)- 1H- pyrazol- 5- yl]tetrazolo[1,5- a]quinoxalin- 4- amine
Smiles: Cc1nn(c(c1)Nc1nc2ccccc2n2c1nnn2)c1ccc(cc1)[N+](=O)[O-]

STK542452
Synonyms: methyl5- (3,4- dichlorophenyl)- 6a- methyl- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)C

STK841261
Synonyms: 1- (3,4- dimethyl- 2- thioxo- 2,3- dihydro- 1,3- thiazol- 5- yl)- 3- [2- (4- methylphenoxy)ethyl]urea
Smiles: O=C(Nc1sc(=S)n(c1C)C)NCCOc1ccc(cc1)C

STK542460
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- ({5- [5- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)pentyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetamide
Smiles: COc1cc(CCNC(=O)CSc2nnc(o2)CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)ccc1OC

STK841267
Synonyms: 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenyl3- methoxybenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1cccc(c1)OC)C(=O)/C=C/c1ccccc1F

STK542466
Synonyms: methyl6- ({2- [(3- chloro- 2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (2- fluorophenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1cccc(c1C)Cl

STK542469
Synonyms: 4- {[bis(2- hydroxyethyl)amino]methyl}- 2- nitrophenol
Smiles: OCCN(Cc1ccc(c(c1)[N+](=O)[O-])O)CCO

STK542473
Synonyms: N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)- 4- hydroxy- 2- oxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: CCc1nnc(s1)NC(=O)c1c(=O)[nH]c2c(c1O)CCCC2

STK542476
Synonyms: 4- [4- (3- chlorophenyl)- 5- phenyl- 1H- imidazol- 2- yl]benzoicacid
Smiles: Clc1cccc(c1)c1nc([nH]c1c1ccccc1)c1ccc(cc1)C(=O)O

STK542477
Synonyms: ethyl2- (1,1,1,3,3,3- hexafluoropropan- 2- ylidene)- 5- phenyl- 1,3- oxathiole- 4- carboxylate
Smiles: CCOC(=O)C1=C(OC(=C(C(F)(F)F)C(F)(F)F)S1)c1ccccc1

STK542478
Synonyms: 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: C=CCn1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK841273
Synonyms: N'- [(E)- (2,4,5- trimethoxyphenyl)methylidene]pyrazine- 2- carbohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)c1cnccn1)OC

STK841274
Synonyms: ethyl2- tert- butyl- 5- {[4- (methoxycarbonyl)benzyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(cc3)C(=O)OC)ccc2oc1C(C)(C)C

STK841275
Synonyms: 3- amino- N- (2- ethylphenyl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: CCc1ccccc1NC(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK542488
Synonyms: prop- 2- en- 1- yl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- oxo- 2- [(4- phenoxyphenyl)amino]ethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK542489
Synonyms: ethyl3- ({3- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]propanoyl}amino)- 5- bromo- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(cc2)Br

STK542492
Synonyms: 2- (3,5- dimethylphenyl)tetrahydro- 1H- 4,7- ethanoisoindole- 1,3,5,8(2H,4H)- tetrone
Smiles: O=C1C2C(C(=O)N1c1cc(C)cc(c1)C)C1CC(=O)C2CC1=O

STK542495
Synonyms: 2- (3- bromo- 4- methoxyphenyl)- 5- (4- chlorophenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1ccc(cc1Br)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)Cl

STK841277
Synonyms: 5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- N- cyclohexyl- 1,3,4- thiadiazol- 2- amine
Smiles: C1CCC(CC1)Nc1nnc(s1)CSc1nc2c(s1)cccc2

STK542497
Synonyms: methyl5- bromo- 6- oxo- 1- (pyridin- 2- ylmethyl)- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(Cc2ccccn2)c(=O)c(c1)Br

STK841280
Synonyms: N- (4- chlorophenyl)- 4- [2- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)ethyl]piperazine- 1- carbothioamide
Smiles: Clc1ccc(cc1)NC(=S)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK542504
Synonyms:
Smiles: Cc1cccc(c1)Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc2c1nsn2

STK841283
Synonyms: 2,5- dimethyl- N- (2- {[6- methyl- 2- (methylsulfanyl)pyrimidin- 4- yl]oxy}ethyl)benzenesulfonamide
Smiles: CSc1nc(OCCNS(=O)(=O)c2cc(C)ccc2C)cc(n1)C

STK841284
Synonyms: 2- (benzylsulfanyl)- 4- (4- hydroxy- 3- methoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK542506
Synonyms: 1- benzyl- 2- imino- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carbonitrile
Smiles: N#Cc1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1

STK841286
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)acetamide
Smiles: O=C(Cn1c(=O)c2cccc3c2c(c1=O)ccc3)Nc1ccc2c(c1)OCO2

STK542514
Synonyms: (2E)- 3- {3- [(4- benzylpiperidin- 1- yl)sulfonyl]- 4- methylphenyl}prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)N1CCC(CC1)Cc1ccccc1)C

STK542515
Synonyms: ethyl6- bromo- 5- [(4- bromobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)Br)c(c2)Br

STK542517
Synonyms: 1- benzyl- 2'- (2- chlorophenyl)- 7'- methoxy- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccccc1Cl

STK841289
Synonyms: 2- {[3- cyano- 4- (2- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC(=O)CC1c1ccccc1C

STK841291
Synonyms: N~4~- benzyl- N~2~- (2- methylphenyl)quinazoline- 2,4- diamine
Smiles: Cc1ccccc1Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK841292
Synonyms: 2,2'- butane- 1,4- diylbis(6- methoxy- 1,3- benzothiazole)
Smiles: COc1ccc2c(c1)sc(n2)CCCCc1nc2c(s1)cc(cc2)OC

STK841294
Synonyms: ethyl2- {[3- (morpholin- 4- yl)quinoxalin- 2- yl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCOCC2)sc2c1CCCC2

STK841295
Synonyms: 2- {[4- (3- bromophenyl)- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3- chloro- 4- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC(=O)CC1c1cccc(c1)Br

STK542536
Synonyms: 2- methoxyethyl6- bromo- 5- [(2,6- dichlorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1c(Cl)cccc1Cl)c(c2)Br

STK542542
Synonyms: 2- (3,4- dimethoxyphenyl)- 2,3- dihydro- 1H- perimidine
Smiles: COc1cc(ccc1OC)C1Nc2cccc3c2c(N1)ccc3

STK841300
Synonyms: 1,3- benzodioxol- 5- yl[4- (4- methoxyphenyl)piperazin- 1- yl]methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2c(c1)OCO2

STK542551
Synonyms: N~2~- (3,4- dichlorophenyl)- N~4~- (furan- 2- ylmethyl)quinazoline- 2,4- diamine
Smiles: Clc1ccc(cc1Cl)Nc1nc(NCc2ccco2)c2c(n1)cccc2

STK542552
Synonyms: prop- 2- en- 1- yl6- ({2- [(3- acetylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- 4- [2- (trifluoromethyl)phenyl]- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C#N)SCC(=O)Nc1cccc(c1)C(=O)C

STK841308
Synonyms: propan- 2- yl5- [(4- bromobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)Br)cc2)C

STK542553
Synonyms: 4- (4- ethylpiperazin- 1- yl)- 6,7- dimethoxy- 2- phenylquinazoline
Smiles: CCN1CCN(CC1)c1nc(nc2c1cc(OC)c(c2)OC)c1ccccc1

STK841309
Synonyms: 4- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 2- [(2- chlorobenzyl)sulfanyl]- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=O)CC1c1cc(Br)c(c(c1)OC)O

STK841310
Synonyms: N- (2- methylphenyl)- 4- (morpholin- 4- yl)quinazolin- 2- amine
Smiles: Cc1ccccc1Nc1nc(N2CCOCC2)c2c(n1)cccc2

STK542562
Synonyms: 1- amino- 8,8- dimethyl- N- (2- methylphenyl)- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)Nc1ccccc1C

STK542563
Synonyms: (3- chloro- 6- methoxy- 1- benzothiophen- 2- yl)(3,5- dimethyl- 1H- pyrazol- 1- yl)methanone
Smiles: COc1ccc2c(c1)sc(c2Cl)C(=O)n1nc(cc1C)C

STK841312
Synonyms: (4E)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 5- (4- methoxyphenyl)- 1- (pyridin- 3- ylmethyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)Cc1cccnc1)/O

STK542568
Synonyms: 5,5'- bis[(4- nitrobenzyl)sulfanyl]- 4,4'- di(prop- 2- en- 1- yl)- 4H,4'H- 3,3'- bi- 1,2,4- triazole
Smiles: C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1nnc(n1CC=C)SCc1ccc(cc1)[N+](=O)[O-]

STK542570
Synonyms: 2- {2- [3,4- dimethoxy- 5- (pyrrolidin- 1- ylsulfonyl)phenyl]ethyl}- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1c(OC)cc(cc1S(=O)(=O)N1CCCC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK841315
Synonyms: 1- (4- methoxyphenyl)- 4- {[(E)- 2- phenylethenyl]sulfonyl}piperazine
Smiles: COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1

STK542573
Synonyms: 2- (5- bromo- 2,4- dimethoxyphenyl)- 5- (2- methyl- 5- nitrophenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1cc(OC)c(cc1c1[nH]c(c(n1)c1ccccc1)c1cc(ccc1C)[N+](=O)[O-])Br

STK542580
Synonyms: methyl(2,7,9- trimethyl- 4- oxopyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 3(4H)- yl)acetate
Smiles: COC(=O)Cn1c(C)nc2c(c1=O)sc1c2c(C)cc(n1)C

STK542581
Synonyms: N- [4- ({3- [(3,4- dimethoxyphenyl)amino]quinoxalin- 2- yl}sulfamoyl)phenyl]acetamide
Smiles: COc1cc(ccc1OC)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)NC(=O)C

STK542583
Synonyms: (5Z)- 3- (3- hydroxyphenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)O

STK542592
Synonyms: 3,3'- (butane- 1,4- diyldisulfanediyl)bis[4- phenyl- 5- (3,4,5- trimethoxyphenyl)- 4H- 1,2,4- triazole]
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCCCCSc1nnc(n1c1ccccc1)c1cc(OC)c(c(c1)OC)OC

STK542593
Synonyms: N- [(9,10- dioxo- 4a,9,9a,10- tetrahydroanthracen- 2- yl)carbamothioyl]pyridine- 3- carboxamide
Smiles: S=C(NC(=O)c1cccnc1)NC1=CC2C(C=C1)C(=O)c1c(C2=O)cccc1

STK542596
Synonyms: {[6,6- dimethyl- 3- (4- methylphenyl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)C

STK841319
Synonyms: 3- ethyl6- methyl4- {[4- (morpholin- 4- yl)phenyl]amino}quinoline- 3,6- dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)N1CCOCC1)cc(cc2)C(=O)OC

STK542603
Synonyms: N- [(4- methylpiperazin- 1- yl)carbonothioyl]pyridine- 3- carboxamide
Smiles: CN1CCN(CC1)C(=S)NC(=O)c1cccnc1

STK542604
Synonyms: propan- 2- yl5- [(4- chlorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)Cl)cc2)C

STK841320
Synonyms: 4- [4- (2,3- dichlorophenyl)- 5- phenyl- 1H- imidazol- 2- yl]benzene- 1,2- diol
Smiles: Oc1cc(ccc1O)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK841321
Synonyms: methyl5- (3,3- dimethyl- 2- oxobutoxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(OCC(=O)C(C)(C)C)cc2

STK542607
Synonyms: 3- (2- chlorophenyl)- 6- ethyl- 7- hydroxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CCc1cc2c(cc1O)oc(c(c2=O)c1ccccc1Cl)C(F)(F)F

STK542611
Synonyms: 8- ethyl- 8- methyl- 3- (4- methylphenyl)- 2- (methylsulfanyl)- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCC1(C)OCc2c(C1)nc1c(c2)c(=O)n(c(n1)SC)c1ccc(cc1)C

STK542612
Synonyms: ethyl6- bromo- 2- tert- butyl- 5- (2- ethoxy- 2- oxo- 1- phenylethoxy)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)C(c1ccccc1)Oc1cc2c(cc1Br)oc(c2C(=O)OCC)C(C)(C)C

STK542618
Synonyms: methyl3,3,3- trifluoro- N- (6- fluoro- 1,3- benzothiazol- 2- yl)- 2- [(phenylacetyl)amino]alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cc(cc2)F)NC(=O)Cc1ccccc1

STK841325
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- methylphenylthiophene- 2- carboxylate
Smiles: COc1ccc(cc1OC)/C=C/C(=O)c1cc(C)ccc1OC(=O)c1cccs1

STK542621
Synonyms: 2- phenyltetrahydro- 1H- 4,7- ethanoisoindole- 1,3,5,8(2H,4H)- tetrone
Smiles: O=C1C2C(C(=O)N1c1ccccc1)C1CC(=O)C2CC1=O

STK542628
Synonyms: 7- (ethylsulfanyl)- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK841327
Synonyms: (5Z)- 5- (4- fluorobenzylidene)- 3- (4- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1ccc(cc1)N1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O

STK542632
Synonyms: 4- chloro- 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]phenyl3- methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccc(c(c1)OC)OC)Cl

STK542636
Synonyms: 5'- methoxy- 1',3',3'- trimethyl- 8- nitro- 1',3'- dihydrospiro[chromene- 2,2'- indole]
Smiles: COc1ccc2c(c1)C(C)(C)C1(N2C)C=Cc2c(O1)c(ccc2)[N+](=O)[O-]

STK841330
Synonyms: ethyl3,6- diamino- 5- cyano- 4- (4- ethoxyphenyl)thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOc1ccc(cc1)c1c(C#N)c(N)nc2c1c(N)c(s2)C(=O)OCC

STK542637
Synonyms: 2'- (biphenyl- 4- yl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: c1ccc(cc1)C1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)c1ccccc1

STK841332
Synonyms: (2E)- 1- (5- chloro- 2- hydroxyphenyl)- 3- (4- fluorophenyl)prop- 2- en- 1- one
Smiles: Fc1ccc(cc1)/C=C/C(=O)c1cc(Cl)ccc1O

STK542646
Synonyms: ethyl5- (1- methyl- 1H- indol- 3- yl)- 3- phenyl- 4,5- dihydro- 1H- pyrazole- 1- carboxylate
Smiles: CCOC(=O)N1N=C(CC1c1cn(c2c1cccc2)C)c1ccccc1

STK542647
Synonyms: 8- chloro- 4- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}- 5H- pyrimido[5,4- b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK542649
Synonyms: 9'- bromo- 2'- (naphthalen- 2- yl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc2c(c1)cccc2)Br

STK841334
Synonyms: (2E)- 1- (5- bromo- 2- hydroxyphenyl)- 3- (4- fluorophenyl)prop- 2- en- 1- one
Smiles: Fc1ccc(cc1)/C=C/C(=O)c1cc(Br)ccc1O

STK841335
Synonyms: 5- chloroquinolin- 8- ylthiophene- 2- carboxylate
Smiles: O=C(c1cccs1)Oc1ccc(c2c1nccc2)Cl

STK841337
Synonyms: 2- [(2E)- 3- (4- chlorophenyl)prop- 2- enoyl]- 4- fluorophenyl2- methoxybenzoate
Smiles: COc1ccccc1C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccc(cc1)Cl)F

STK542658
Synonyms: (3E)- 3- [(2- bromophenyl)imino]- 5,5- dimethylcyclohex- 1- en- 1- ol
Smiles: OC1=C/C(=N/c2ccccc2Br)/CC(C1)(C)C

STK542661
Synonyms: ethyl[(E)- 1- cyano- 2- hydroxy- 2- phenylethenyl]phenylphosphinate
Smiles: CCOP(=O)(/C(=C(\c1ccccc1)/O)/C#N)c1ccccc1

STK841343
Synonyms: 1,1'- [6- hydroxy- 2- (4- methoxyphenyl)- 6- methyl- 4- (phenylamino)cyclohex- 3- ene- 1,3- diyl]diethanone
Smiles: COc1ccc(cc1)C1C(=C(Nc2ccccc2)CC(C1C(=O)C)(C)O)C(=O)C

STK841344
Synonyms: 4- (2,3- dichlorophenyl)- 2- (methylsulfanyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1cccc(c1Cl)Cl

STK841345
Synonyms: 7- (4- fluorophenyl)- 5- hydroxy- 1,3- benzoxathiol- 2- one
Smiles: Fc1ccc(cc1)c1cc(O)cc2c1oc(=O)s2

STK542675
Synonyms: 2- (2- {2- [(4- benzylpiperidin- 1- yl)sulfonyl]- 4,5- dimethoxyphenyl}ethyl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCC(CC1)Cc1ccccc1

STK841346
Synonyms: N~2~- (2- fluorophenyl)- N~4~- (furan- 2- ylmethyl)quinazoline- 2,4- diamine
Smiles: Fc1ccccc1Nc1nc(NCc2ccco2)c2c(n1)cccc2

STK542676
Synonyms: 6- [9- bromo- 2- (5- bromothiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(s1)Br)Br

STK542678
Synonyms: [(4- methoxy- 3- methylbenzyl)sulfanyl]aceticacid
Smiles: COc1ccc(cc1C)CSCC(=O)O

STK841349
Synonyms: N- (4- fluorophenyl)- 4- hydroxy- 2- oxo- 1- propyl- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)Nc1ccc(cc1)F)O

STK542686
Synonyms: (4- methylphenyl)(2- thioxo[1,2,4]triazolo[1,5- a]pyridin- 3(2H)- yl)methanone
Smiles: Cc1ccc(cc1)C(=O)n1c(=S)nc2n1cccc2

STK542697
Synonyms: (2E,5Z)- 5- (1H- indol- 3- ylmethylidene)- 2- {[3- (trifluoromethyl)phenyl]imino}- 1,3- thiazolidin- 4- one
Smiles: O=C1N/C(=N\c2cccc(c2)C(F)(F)F)/S/C/1=C\c1c[nH]c2c1cccc2

STK542700
Synonyms: methyl6- (benzylsulfanyl)- 5- cyano- 4- (4- ethylphenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)CC)C#N)SCc1ccccc1

STK841356
Synonyms: 1- (9- ethyl- 9H- carbazol- 3- yl)- 2,2,2- trifluoroethanone
Smiles: CCn1c2ccc(cc2c2c1cccc2)C(=O)C(F)(F)F

STK841357
Synonyms: 5- methoxy- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenyl4- nitrobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)/C=C/c1ccccc1OC

STK841358
Synonyms: (1- benzyl- 1H- imidazol- 2- yl)(phenyl)methanol
Smiles: OC(c1nccn1Cc1ccccc1)c1ccccc1

STK841359
Synonyms: ethyl5- [(2- chlorobenzyl)oxy]- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccccc1Cl)cc2)c1ccc(cc1)OC

STK542709
Synonyms: 1- {[(E)- 2- phenylethenyl]sulfonyl}- 4- (pyridin- 2- yl)piperazine
Smiles: O=S(=O)(N1CCN(CC1)c1ccccn1)/C=C/c1ccccc1

STK542715
Synonyms: 4- chloro- 2- [(3- {[(4- methylphenyl)sulfonyl]amino}quinoxalin- 2- yl)amino]benzoicacid
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(Cl)ccc1C(=O)O

STK542718
Synonyms: 4- [3- (ethylsulfanyl)- 5- methyl- 4H- 1,2,4- triazol- 4- yl]benzoicacid
Smiles: CCSc1nnc(n1c1ccc(cc1)C(=O)O)C

STK841368
Synonyms: propyl3- amino- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxylate
Smiles: CCCOC(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK841370
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 2,4- dimethyl- 5- nitrobenzenesulfonamide
Smiles: Cc1cc(C)c(cc1S(=O)(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C)[N+](=O)[O-]

STK841372
Synonyms: 4- (3- bromophenyl)- 2- [(2- chlorobenzyl)sulfanyl]- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=O)CC1c1cccc(c1)Br

STK542732
Synonyms: 1- [5- (2- methoxyphenyl)- 3- (4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]propan- 1- one
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1ccccc1OC)C(=O)CC

STK542734
Synonyms: 5- bromo- 2- oxo- 1,3- benzoxathiol- 6- ylcyclohexylcarbamate
Smiles: O=C(Oc1cc2oc(=O)sc2cc1Br)NC1CCCCC1

STK542735
Synonyms: 2- (3- bromo- 4- fluorophenyl)- 5- (4- nitrophenyl)- 4- phenyl- 1H- imidazole
Smiles: Brc1cc(ccc1F)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK542741
Synonyms: N- {1- butyl- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: CCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)C

STK841374
Synonyms: 4- fluoro- 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]phenyl3- nitrobenzoate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK542747
Synonyms: (2E)- 1- (4- bromophenyl)- 3- (1,2- dimethyl- 1H- indol- 3- yl)prop- 2- en- 1- one
Smiles: Brc1ccc(cc1)C(=O)/C=C/c1c(C)n(c2c1cccc2)C

STK841375
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=O)CC1c1ccccc1F

STK841377
Synonyms: 2- methyl- 3- (morpholin- 4- ylcarbonyl)- 1- benzofuran- 5- ylacetate
Smiles: O=C(c1c(C)oc2c1cc(cc2)OC(=O)C)N1CCOCC1

STK841379
Synonyms: 7- hexyl- 3- methyl- 8- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(SCC(=C)C)nc2c1c(=O)[nH]c(=O)n2C

STK841385
Synonyms: 1- (3- nitrophenyl)- 2- {[4- phenyl- 5- (3,4,5- trimethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)c1cccc(c1)[N+](=O)[O-]

STK841386
Synonyms: ethyl2- tert- butyl- 5- {[(3- methoxyphenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1cccc(c1)OC

STK542771
Synonyms: 4- {4- [(3- phenylprop- 2- yn- 1- yl)oxy]but- 2- yn- 1- yl}morpholine
Smiles: O1CCN(CC1)CC#CCOCC#Cc1ccccc1

STK542774
Synonyms: N'- (5- butyl- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)- N,N- dimethylpropane- 1,3- diamine
Smiles: CCCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCCCN(C)C

STK841387
Synonyms: ethyl5- [(4- bromobenzyl)oxy]- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)Br)cc2)c1ccc(cc1)OC

STK542775
Synonyms: 1,5- dimethyl- 3,7- bis[(4- nitrophenyl)carbonyl]- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])N1CC2(C)CN(CC(C1)(C2=O)C)C(=O)c1ccc(cc1)[N+](=O)[O-]

STK542776
Synonyms: 6- iodo- 3- (4- methoxyphenyl)- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(/C=C/c2cccnc2)nc2c(c1=O)cc(cc2)I

STK542778
Synonyms: 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- [4- (4- nitrophenyl)piperazin- 1- yl]ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])c(n2C)C

STK542779
Synonyms: 1- (4- fluorophenyl)- 2- [4- (4- methoxyphenyl)piperazin- 1- yl]ethanone
Smiles: COc1ccc(cc1)N1CCN(CC1)CC(=O)c1ccc(cc1)F

STK542780
Synonyms: 1- [(2,4- dimethyl- 5- nitrophenyl)sulfonyl]piperidine- 4- carboxylicacid
Smiles: OC(=O)C1CCN(CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(cc1C)C

STK542781
Synonyms: 4- [3- (5- chloro- 2- methoxyphenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]benzoicacid
Smiles: COc1ccc(cc1c1n[nH]c(=S)n1c1ccc(cc1)C(=O)O)Cl

STK841390
Synonyms: ethyl1- [(4- methoxy- 3- nitrophenyl)sulfonyl]piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])OC

STK542796
Synonyms: prop- 2- en- 1- yl4- (4- chlorophenyl)- 5- cyano- 6- ({2- [(3,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(c(c1)C)C

STK542798
Synonyms: methyl5- cyano- 4- (2- fluorophenyl)- 6- ({2- [(4- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccc(cc1)OC

STK841393
Synonyms: 4- (3- bromophenyl)- 2- (methylsulfanyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SC)NC(=O)CC1c1cccc(c1)Br

STK542807
Synonyms: (2E)- 3- chloro- N- (furan- 2- ylmethyl)but- 2- en- 1- amine
Smiles: C/C(=C\CNCc1ccco1)/Cl

STK542808
Synonyms: 8- fluoro- N- (2- methoxyphenyl)- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indole- 2- carboxamide
Smiles: COc1ccccc1NC(=O)N1CCc2c(C1)c1cc(F)ccc1[nH]2

STK841395
Synonyms: (5Z)- 3- (3- methoxyphenyl)- 5- (pyridin- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\c2cccnc2)/C1=O

STK542809
Synonyms: [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl](phenyl)aceticacid
Smiles: OC(=O)C(N1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)c1ccccc1

STK542812
Synonyms: 2- {(E)- [(3- chlorophenyl)imino]methyl}- 1- benzothiophene- 3- ol
Smiles: Clc1cccc(c1)/N=C/c1sc2c(c1O)cccc2

STK542814
Synonyms: prop- 2- en- 1- yl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- [(3- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1)C

STK542815
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 5- oxo- 4- [4- (propan- 2- yl)phenyl]- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1ccc(cc1)C(C)C)C(=O)CCC2

STK841399
Synonyms: 4- fluoro- 2- [(2E)- 3- (4- methylphenyl)prop- 2- enoyl]phenylthiophene- 2- carboxylate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)C)OC(=O)c1cccs1

STK542822
Synonyms: 4- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 6,7- dimethoxy- 2- phenylquinazoline
Smiles: COc1cc2c(cc1OC)nc(nc2N1CCN(CC1)Cc1ccc2c(c1)OCO2)c1ccccc1

STK542825
Synonyms: 4- chloro- N- [2- (piperazin- 1- yl)- 1,2- dihydroacenaphthylen- 1- yl]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)NC1c2cccc3c2c(C1N1CCNCC1)ccc3

STK841401
Synonyms: 2- {3- [4- (4- methoxyphenyl)piperazin- 1- yl]- 3- oxopropyl}- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK542826
Synonyms: 1- {2- [(5- bromo- 2- methoxybenzyl)sulfanyl]ethyl}guanidine
Smiles: COc1ccc(cc1CSCCNC(=N)N)Br

STK542827
Synonyms: 3- ({[4- (2- methoxyphenyl)piperazin- 1- yl]acetyl}amino)- 5- methyl- 1H- indole- 2- carboxylicacid
Smiles: COc1ccccc1N1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)O

STK542828
Synonyms: 3- amino- 5- (4- chlorophenyl)- 2- (2- phenylethyl)thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1csc2c1c(=O)n(c(n2)CCc1ccccc1)N

STK542833
Synonyms: N,N- dimethyl- N'- [5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]propane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1)C

STK841405
Synonyms: 2- {[3- cyano- 4- (2- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)OC)NC(=O)CC1c1ccccc1C

STK542839
Synonyms: (2E,5Z)- 2- [(3,5- dichlorophenyl)imino]- 5- (pyridin- 3- ylmethylidene)- 1,3- thiazolidin- 4- one
Smiles: Clc1cc(Cl)cc(c1)/N=C/1\NC(=O)/C(=C/c2cccnc2)/S1

STK542840
Synonyms: 2- methyl- 5- [4- (naphthalen- 2- ylamino)phthalazin- 1- yl]- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCc1cccnc1)c1nnc(c2c1cccc2)Nc1ccc2c(c1)cccc2

STK841407
Synonyms: 5- methoxy- 2- [(2E)- 3- (4- methylphenyl)prop- 2- enoyl]phenylthiophene- 2- carboxylate
Smiles: COc1ccc(c(c1)OC(=O)c1cccs1)C(=O)/C=C/c1ccc(cc1)C

STK542843
Synonyms: diethyl4- hydroxy- 3- methylthieno[2,3- b]pyridine- 2,5- dicarboxylate
Smiles: CCOC(=O)c1sc2c(c1C)c(O)c(cn2)C(=O)OCC

STK542845
Synonyms: (2E)- 2- {[(2- chlorophenyl)carbonyl]amino}- 3- [4- (dimethylamino)phenyl]prop- 2- enoicacid
Smiles: OC(=O)/C(=C\c1ccc(cc1)N(C)C)/NC(=O)c1ccccc1Cl

STK542850
Synonyms: methyl5- chloro- 3- [(cyclopropylcarbonyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1CC1)cc(cc2)Cl

STK841410
Synonyms: ethyl6- bromo- 2- tert- butyl- 5- {[4- (methoxycarbonyl)benzyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(cc3)C(=O)OC)c(cc2oc1C(C)(C)C)Br

STK542853
Synonyms: 1- (4- bromophenyl)- 2- (9H- purin- 6- ylsulfanyl)ethanol
Smiles: OC(c1ccc(cc1)Br)CSc1ncnc2c1nc[nH]2

STK841412
Synonyms: 6- methyl- 2,2- bis(trifluoromethyl)- 2,3- dihydro- 4H- [1,3]thiazolo[3,2- a][1,3,5]triazin- 4- one
Smiles: FC(C1(NC(=O)n2c(=N1)scc2C)C(F)(F)F)(F)F

STK542856
Synonyms: 2- {[3- cyano- 4- (4- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)NC(=O)CC1c1ccc(cc1)C

STK841417
Synonyms: 2,3- diphenyl- 7- (thiophen- 2- yl)- 6,7- dihydro- 5H- imidazo[2,1- b][1,3]thiazin- 5- one
Smiles: O=C1CC(Sc2n1c(c1ccccc1)c(n2)c1ccccc1)c1cccs1

STK841419
Synonyms: (2E)- 3- (4- chlorophenyl)- 1- (5- fluoro- 2- hydroxyphenyl)prop- 2- en- 1- one
Smiles: Clc1ccc(cc1)/C=C/C(=O)c1cc(F)ccc1O

STK542870
Synonyms: 5- (4- methoxyphenyl)- 4- (naphthalen- 1- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1c1cccc2c1cccc2

STK841421
Synonyms: 1- [5- (2- chloro- 7- methylquinolin- 3- yl)- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: COc1cc(ccc1OC)C1=NN(C(C1)c1cc2ccc(cc2nc1Cl)C)C(=O)C

STK542874
Synonyms: 2- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C

STK841422
Synonyms: ethyl5- [(2- chloro- 4- fluorobenzyl)oxy]- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1Cl)F)cc2)c1ccccc1

STK542879
Synonyms: methyl2- {[3- (3,5- dimethylpiperidin- 1- yl)quinoxalin- 2- yl]amino}- 4,5- dimethylthiophene- 3- carboxylate
Smiles: COC(=O)c1c(Nc2nc3ccccc3nc2N2CC(C)CC(C2)C)sc(c1C)C

STK542880
Synonyms: 4- (2,3- dichlorophenyl)- 2- [4- (methylsulfanyl)phenyl]- 5- phenyl- 1H- imidazole
Smiles: CSc1ccc(cc1)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK841424
Synonyms: prop- 2- en- 1- yl5- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 2- methyl- 6- ({2- [(3- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)Nc1cccc(c1)C

STK542883
Synonyms: 4- methyl- 2,6- diphenylpiperidin- 4- ol
Smiles: CC1(O)CC(NC(C1)c1ccccc1)c1ccccc1

STK841425
Synonyms: (2E)- 1- (2- hydroxy- 4- methoxyphenyl)- 3- (thiophen- 2- yl)prop- 2- en- 1- one
Smiles: COc1ccc(c(c1)O)C(=O)/C=C/c1cccs1

STK841427
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- 4- [(4- methoxy- 3- nitrophenyl)sulfonyl]piperazine
Smiles: COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK841428
Synonyms: 7- (2,4- dichlorophenyl)- 5- hydroxy- 1,3- benzoxathiol- 2- one
Smiles: Clc1ccc(c(c1)Cl)c1cc(O)cc2c1oc(=O)s2

STK542899
Synonyms: 3- acetyl- 4- (4- methoxyphenyl)- 2- methyl- 5H- indeno[1,2- b]pyridin- 5- one
Smiles: COc1ccc(cc1)c1c(C(=O)C)c(C)nc2c1C(=O)c1c2cccc1

STK542900
Synonyms: methyl5- {[(4- amino- 5- ethyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]methyl}furan- 2- carboxylate
Smiles: COC(=O)c1ccc(o1)CSc1nnc(n1N)CC

STK841430
Synonyms: 2- {4- [4- (4- methoxyphenyl)piperazin- 1- yl]- 4- oxobutyl}- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK841431
Synonyms: 1- [(4- methoxy- 3- nitrophenyl)sulfonyl]- 4- (4- methoxyphenyl)piperazine
Smiles: COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])OC

STK841432
Synonyms: 2- (4- fluorophenyl)- 2- oxoethyl2- phenylquinoline- 4- carboxylate
Smiles: Fc1ccc(cc1)C(=O)COC(=O)c1cc(nc2c1cccc2)c1ccccc1

STK841433
Synonyms: 3- benzyl- 6- iodo- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccnc1)Cc1ccccc1

STK542907
Synonyms: 2- [(4,7- dimethyl- 2- oxo- 2H- chromen- 6- yl)carbamoyl]benzoicacid
Smiles: O=c1cc(C)c2c(o1)cc(c(c2)NC(=O)c1ccccc1C(=O)O)C

STK542908
Synonyms: (6aR,6bS,9aR,10S)- 8- (1,3- benzodioxol- 5- yl)- 10- [(4- methoxyphenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1

STK542909
Synonyms: propan- 2- yl5- (2- {2- [(3,4- dimethoxyphenyl)carbonyl]hydrazinyl}- 2- oxoethoxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COc1cc(ccc1OC)C(=O)NNC(=O)COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C

STK841435
Synonyms: 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]- 4- methylphenyl3- nitrobenzoate
Smiles: Cc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK542918
Synonyms: 2- amino- 6- methyl- 4- (trifluoromethyl)pyridine- 3,5- dicarbonitrile
Smiles: N#Cc1c(C)nc(c(c1C(F)(F)F)C#N)N

STK841436
Synonyms: methyl6- tert- butyl- 2- {[(3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCC(C2)C(C)(C)C

STK841438
Synonyms: (2E)- 1- (5- bromo- 2- hydroxyphenyl)- 3- (2- fluorophenyl)prop- 2- en- 1- one
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)O

STK542923
Synonyms: 2- (4- {[(2,6- dimethoxyphenyl)carbonyl]carbamothioyl}piperazin- 1- yl)- 8- ethyl- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: COc1cccc(c1C(=O)NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O)OC

STK542924
Synonyms: 4,7- diphenyl- 2- (2- phenylethyl)- 3a,4,7,7a- tetrahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(CCc2ccccc2)C(=O)C2C1C(C=CC2c1ccccc1)c1ccccc1

STK542925
Synonyms: 7,8- dimethoxy- 4- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}- 5H- pyrimido[5,4- b]indole
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK841442
Synonyms: 2- {[3- cyano- 4- (4- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccc(cc1)C)C(=O)CCC2

STK542937
Synonyms: ethyl4,5- dimethyl- 2- {[3- (piperidin- 1- yl)quinoxalin- 2- yl]amino}thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCCCC2)sc(c1C)C

STK542939
Synonyms: 6- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 3,3- dimethyl- 8- (morpholin- 4- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(SC/C=C(/Cl)\C)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK542942
Synonyms: methyl4,5- dimethyl- 2- {[3- (morpholin- 4- yl)quinoxalin- 2- yl]amino}thiophene- 3- carboxylate
Smiles: COC(=O)c1c(Nc2nc3ccccc3nc2N2CCOCC2)sc(c1C)C

STK542943
Synonyms: 9'- bromo- 2'- (4- methylphenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccc(cc1)C

STK542955
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(2,5- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (4- ethoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1cc(C)ccc1C

STK542968
Synonyms: methyl5- (4- fluorophenyl)- 6a- methyl- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccc(cc1)F)C

STK841446
Synonyms: propan- 2- yl5- [(2- fluorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(OCc1ccccc1F)cc2)C

STK841447
Synonyms: methyl4- [(4- methoxy- 6- methylpyrimidin- 2- yl)oxy]benzoate
Smiles: COc1nc(Oc2ccc(cc2)C(=O)OC)nc(c1)C

STK841448
Synonyms: prop- 2- en- 1- yl6- ({2- [(4- acetylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)C(=O)C

STK841450
Synonyms: 2- methoxyethyl6- bromo- 5- [(2,5- dimethylbenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1cc(C)ccc1C)c(c2)Br

STK542983
Synonyms: 3- (2- chlorophenyl)- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: O=c1n(c(/C=C/c2cccnc2)nc2c1cccc2)c1ccccc1Cl

STK542987
Synonyms: 3,6- diamino- 5- cyano- N- (4- methylbenzyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)NCc1ccc(cc1)C

STK542988
Synonyms: 1,1'- {[cyclohexyl(phenyl)silanediyl]diprop- 1- yne- 1,3- diyl}dipiperidine
Smiles: C1CCC(CC1)[Si](c1ccccc1)(C#CCN1CCCCC1)C#CCN1CCCCC1

STK542989
Synonyms: 2- deoxy- N- {4- [(E)- phenyldiazenyl]phenyl}- D- erythro- pentopyranosylamine
Smiles: O[C@H]1CC(OC[C@H]1O)Nc1ccc(cc1)/N=N/c1ccccc1

STK841453
Synonyms: 2- {[4- (3- bromophenyl)- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC(=O)CC1c1cccc(c1)Br

STK841454
Synonyms: 2- ({4- [4- (benzyloxy)phenyl]- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl}sulfanyl)- N- phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccc(cc1)OCc1ccccc1

STK542995
Synonyms: (2E)- 3- [3- (azepan- 1- ylsulfonyl)- 4- methylphenyl]prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)C

STK542998
Synonyms: (2E)- 1- (4- bromophenyl)- 3- (1- methyl- 1H- indol- 3- yl)prop- 2- en- 1- one
Smiles: Brc1ccc(cc1)C(=O)/C=C/c1cn(c2c1cccc2)C

STK543000
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 1- benzyl- 9'- bromo- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1ccc2c(c1)OCO2

STK543002
Synonyms: 2'- (2,5- dimethylphenyl)- 2,2- dimethyl- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Cc1ccc(c(c1)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C)C

STK543003
Synonyms: (2E,5Z)- 5- (4- fluorobenzylidene)- 2- {[2- (trifluoromethyl)phenyl]imino}- 1,3- thiazolidin- 4- one
Smiles: Fc1ccc(cc1)/C=C/1\S/C(=N/c2ccccc2C(F)(F)F)/NC1=O

STK543006
Synonyms: 4- amino- N- {(2E,4Z)- 4- [2- (4- chlorophenyl)- 2- oxoethylidene]- 5- oxoimidazolidin- 2- ylidene}benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)/N=C/1\N/C(=C\C(=O)c2ccc(cc2)Cl)/C(=O)N1

STK543009
Synonyms: 4- [(3aS,6aS)- 3- (4- methoxyphenyl)- 4,6- dioxo- 1- phenyl- 3a,4,6,6a- tetrahydropyrrolo[3,4- c]pyrazol- 5(1H)- yl]phenylacetate
Smiles: COc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C)c1ccccc1

STK841461
Synonyms: methyl5- {[(4- fluorophenyl)carbonyl]oxy}- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1ccc(cc1)F

STK543014
Synonyms: 6- bromo- 5'- methoxy- 1',3',3'- trimethyl- 8- nitro- 1',3'- dihydrospiro[chromene- 2,2'- indole]
Smiles: COc1ccc2c(c1)C(C)(C)C1(N2C)C=Cc2c(O1)c(cc(c2)Br)[N+](=O)[O-]

STK543015
Synonyms: ethyl7- ({[5- (acetyloxy)- 2- methyl- 1- benzofuran- 3- yl]carbonyl}oxy)- 3- (4- bromophenyl)- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc(cc1)Br)OC(=O)c1c(C)oc2c1cc(cc2)OC(=O)C

STK841464
Synonyms: prop- 2- en- 1- yl6- [(2- amino- 2- oxoethyl)sulfanyl]- 5- cyano- 4- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)N

STK543016
Synonyms: (3aS,6aS)- 5- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- (4- nitrophenyl)- 1- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: O=C1[C@H]2N(N=C([C@H]2C(=O)N1c1ccc2c(c1)OCCO2)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK841465
Synonyms: 2- {[3- cyano- 4- (2- ethoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (2,4- dimethylphenyl)acetamide
Smiles: CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(cc2C)C)NC2=C1C(=O)CCC2)C#N

STK543024
Synonyms: N- [5- (1H- benzimidazol- 2- yl)pentyl]- 2- chlorobenzamide
Smiles: O=C(c1ccccc1Cl)NCCCCCc1nc2c([nH]1)cccc2

STK543025
Synonyms: 2- (4- {[(3,5- dimethoxyphenyl)carbonyl]carbamothioyl}piperazin- 1- yl)- 8- ethyl- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: COc1cc(OC)cc(c1)C(=O)NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O

STK543027
Synonyms: 6- (2,4- dichlorophenyl)- N,N- diethyl- 4,4- bis(trifluoromethyl)- 4H- 1,3,5- oxadiazin- 2- amine
Smiles: CCN(C1=NC(N=C(O1)c1ccc(cc1Cl)Cl)(C(F)(F)F)C(F)(F)F)CC

STK841466
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- fluorophenyl3- nitrobenzoate
Smiles: COc1cc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2cccc(c2)[N+](=O)[O-])ccc1OC

STK543029
Synonyms: 2'- (biphenyl- 4- yl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CC(N1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)c1ccccc1)C

STK543033
Synonyms: 2'- (4- chlorophenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Clc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK841467
Synonyms: ethyl2- [({[5- (pyridin- 4- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(o2)c2ccncc2)sc2c1CCC2

STK841468
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- fluorophenyl4- bromobenzoate
Smiles: COc1cc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2ccc(cc2)Br)ccc1OC

STK543046
Synonyms: 7- (4- fluorophenyl)- 2,3- diphenyl- 6,7- dihydro- 5H- imidazo[2,1- b][1,3]thiazin- 5- one
Smiles: Fc1ccc(cc1)C1CC(=O)n2c(S1)nc(c2c1ccccc1)c1ccccc1

STK543049
Synonyms: 2'- (4- phenoxyphenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: c1ccc(cc1)Oc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK543062
Synonyms: 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenyl3,4- dimethoxybenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(c(c1)OC)OC)C(=O)/C=C/c1ccccc1F

STK841476
Synonyms: (3,5- dimethyl- 1H- pyrazol- 1- yl)[4- (morpholin- 4- ylsulfonyl)phenyl]methanone
Smiles: Cc1cc(n(n1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)C

STK841477
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(2,5- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)Nc1cc(C)ccc1C

STK841478
Synonyms: 6- amino- 3- methyl- 1- (4- methylphenyl)- 4- (thiophen- 3- yl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cscc1)c(C)nn2c1ccc(cc1)C

STK543070
Synonyms: 2'- (3,4- dimethoxyphenyl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1ccc(cc1OC)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(C)C

STK543077
Synonyms: 10,10- dimethyl- 2- [(naphthalen- 1- yloxy)methyl]- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)COc1cccc2c1cccc2

STK543084
Synonyms: 9'- bromo- 2'- (4- methylphenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(cc1)C)Br

STK841486
Synonyms: 3- amino- N- (3,4- dimethylphenyl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)Nc1ccc(c(c1)C)C

STK841487
Synonyms: 4- fluoro- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenyl2- methoxybenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(F)ccc1OC(=O)c1ccccc1OC

STK841489
Synonyms: N- benzyl- 2- {[3- cyano- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK543093
Synonyms: 3- methyl- 7- (2- methylprop- 2- en- 1- yl)- 8- [(naphthalen- 2- ylmethyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=C)Cn1c(SCc2ccc3c(c2)cccc3)nc2c1c(=O)[nH]c(=O)n2C

STK543094
Synonyms: (2E)- 4- {benzyl[2,5- dioxo- 1- (4- propoxyphenyl)pyrrolidin- 3- yl]amino}- 4- oxobut- 2- enoicacid
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)/C=C/C(=O)O)Cc1ccccc1

STK543097
Synonyms: 1- {(4E,5E)- 6- (2- fluorophenyl)- 2- hydroxy- 5- (1- hydroxyethylidene)- 2- methyl- 4- [(4- methylphenyl)imino]cyclohexyl}ethanone
Smiles: CC(=O)C1C(/C(=C(\O)/C)/C(=N/c2ccc(cc2)C)/CC1(C)O)c1ccccc1F

STK543098
Synonyms: 5- {[4- (4- fluorophenyl)piperazin- 1- yl]carbonyl}- 4,6- dimethyl- 2H- pyran- 2- one
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1c(C)cc(=O)oc1C

STK543099
Synonyms: (4E)- 4- (1- hydroxyethylidene)- 5- [4- (propan- 2- yl)phenyl]- 1- (pyridin- 3- ylmethyl)pyrrolidine- 2,3- dione
Smiles: CC(c1ccc(cc1)C1/C(=C(\O)/C)/C(=O)C(=O)N1Cc1cccnc1)C

STK841490
Synonyms: 3- amino- 5- oxo- N- (2,4,6- trimethylphenyl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1cc(C)c(c(c1)C)NC(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK543105
Synonyms: (5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 3- (3- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)OC

STK543112
Synonyms: 2- {[3- cyano- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK543113
Synonyms: ethyl2- {[(2- chlorophenyl)carbonyl]amino}- 4,5- dihydronaphtho[1,2- b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCc1c2cccc1

STK543114
Synonyms: propyl({4- [4- (benzyloxy)phenyl]- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl}sulfanyl)acetate
Smiles: CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)OCc1ccccc1

STK841495
Synonyms: 4- (3- bromophenyl)- 2- [(4- chlorobenzyl)sulfanyl]- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC(=O)CC1c1cccc(c1)Br

STK543116
Synonyms: ethyl2- tert- butyl- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OC/C=C/c3ccccc3)ccc2oc1C(C)(C)C

STK543123
Synonyms: 2- ({4- [4- (benzyloxy)- 3- methoxyphenyl]- 3- cyano- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl}sulfanyl)- N- (4- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C(=O)CCC2

STK841497
Synonyms: 3- amino- N- (4- bromophenyl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK841501
Synonyms: 4- (morpholin- 4- yl)- N- (tetrahydrofuran- 2- ylmethyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncnc3NCC1CCCO1

STK841502
Synonyms: 4- fluoro- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl4- nitrobenzoate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK841504
Synonyms: prop- 2- en- 1- yl5- cyano- 6- [(2- ethoxy- 2- oxoethyl)sulfanyl]- 2- methyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)OCC

STK841507
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- methylphenyl4- fluorobenzoate
Smiles: COc1cc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2ccc(cc2)F)ccc1OC

STK841508
Synonyms: 5- methoxy- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl3- nitrobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)/C=C/c1cccs1

STK543135
Synonyms: ethyl5- fluoro- 3- {[3- (thiomorpholin- 4- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCSCC1)cc(cc2)F

STK841510
Synonyms: N- (piperidin- 1- ylcarbonothioyl)pyridine- 3- carboxamide
Smiles: S=C(N1CCCCC1)NC(=O)c1cccnc1

STK543136
Synonyms: N- {3- [(4- methylphenyl)sulfonyl]- 1- (prop- 2- en- 1- yl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: C=CCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)C

STK543138
Synonyms: prop- 2- en- 1- yl6- ({2- [(3- chloro- 4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1ccc(c(c1)Cl)C

STK841511
Synonyms: 2- [(4- amino- 6,6- dimethyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(N)c2c(n1)sc1c2CC(SC1)(C)C

STK543142
Synonyms: 1- benzyl- 2'- (biphenyl- 4- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: c1ccc(cc1)CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)c1ccccc1

STK841514
Synonyms: 2- [(1E)- 3- oxo- 3- phenylprop- 1- en- 1- yl]phenyl2- methylbenzoate
Smiles: O=C(c1ccccc1)/C=C/c1ccccc1OC(=O)c1ccccc1C

STK543145
Synonyms: 2- (2- {4,5- dimethoxy- 2- [(4- methylpiperazin- 1- yl)sulfonyl]phenyl}ethyl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCN(CC1)C

STK543146
Synonyms: 2,2'- {methanediylbis[(4- phenyl- 4H- 1,2,4- triazole- 5,3- diyl)sulfanediyl]}bis(1- phenylethanone)
Smiles: O=C(c1ccccc1)CSc1nnc(n1c1ccccc1)Cc1nnc(n1c1ccccc1)SCC(=O)c1ccccc1

STK543150
Synonyms: 8- cyclohexyl- 7- (4- methoxyphenyl)- 1,3- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1ccc(cc1)c1cn2c(n1C1CCCCC1)nc1c2c(=O)n(C)c(=O)n1C

STK841516
Synonyms: propan- 2- yl2- methyl- 5- (2- {2- [(2- methylphenyl)carbonyl]hydrazinyl}- 2- oxoethoxy)- 1- benzofuran- 3- carboxylate
Smiles: O=C(COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C)NNC(=O)c1ccccc1C

STK841518
Synonyms: (2E)- 3- (2- chlorophenyl)- 1- (2- hydroxy- 5- methylphenyl)prop- 2- en- 1- one
Smiles: Cc1ccc(c(c1)C(=O)/C=C/c1ccccc1Cl)O

STK543159
Synonyms: 2- [(5- {[(6- ethoxy- 1,3- benzothiazol- 2- yl)sulfanyl]methyl}- 4- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- 1- phenylethanone
Smiles: CCOc1ccc2c(c1)sc(n2)SCc1nnc(n1c1ccccc1)SCC(=O)c1ccccc1

STK841520
Synonyms: 6- (2- methylbutan- 2- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: CCC(C1CCc2c(C1)c1c(O)ncnc1s2)(C)C

STK543163
Synonyms: 2- cyano- N- hexyl- 2- [3- (piperidin- 1- yl)quinoxalin- 2- yl]acetamide
Smiles: CCCCCCNC(=O)C(c1nc2ccccc2nc1N1CCCCC1)C#N

STK841523
Synonyms: N~2~- (4- chlorophenyl)- N~4~- (furan- 2- ylmethyl)quinazoline- 2,4- diamine
Smiles: Clc1ccc(cc1)Nc1nc(NCc2ccco2)c2c(n1)cccc2

STK543174
Synonyms: prop- 2- en- 1- yl4- (4- chlorophenyl)- 5- cyano- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)F

STK543182
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: CC1CN(CC(O1)C)CC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2

STK841527
Synonyms: (5Z)- 1- (4- chlorophenyl)- 5- (1H- pyrrol- 2- ylmethylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc[nH]2)/C1=O

STK841528
Synonyms: 6,6- dimethyl- N- (2- phenylethyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CC1(C)OCc2c(C1)c1c(NCCc3ccccc3)ncnc1s2

STK841529
Synonyms: N- (3- methylphenyl)- 4- (morpholin- 4- yl)quinazolin- 2- amine
Smiles: Cc1cccc(c1)Nc1nc(N2CCOCC2)c2c(n1)cccc2

STK841530
Synonyms: prop- 2- en- 1- yl6- [(2- amino- 2- oxoethyl)sulfanyl]- 5- cyano- 2- methyl- 4- (4- methylphenyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)N

STK543189
Synonyms: 4- (2,5- dimethoxyphenyl)- 5- (4- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1c1cc(OC)ccc1OC

STK841531
Synonyms: ethyl{[3- cyano- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)c1cccc(c1Cl)Cl)C#N

STK841532
Synonyms: ethyl6- bromo- 2- methyl- 5- [(pentafluorobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1c(F)c(F)c(c(c1F)F)F)c(c2)Br

STK543199
Synonyms: 4- [5- (4- methyl- 1,2,5- oxadiazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]- 1,2,5- oxadiazol- 3- amine
Smiles: Cc1nonc1c1nnc([nH]1)c1nonc1N

STK841534
Synonyms: ethyl2- phenyl- 5- {[4- (trifluoromethyl)benzyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)C(F)(F)F)cc2)c1ccccc1

STK543203
Synonyms: ethyl5,5- dimethyl- 2- [(2- methylacryloyl)amino]- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C(=C)C)sc2c1CC(C)(C)OC2

STK543204
Synonyms: 5- butyl- 5- [(2- oxopyrrolidin- 1- yl)methyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCCCC1(CN2CCCC2=O)C(=O)NC(=O)NC1=O

STK841536
Synonyms: (4Z)- 5- (2- fluorophenyl)- 4- (1- hydroxyethylidene)- 1- (2- phenylethyl)pyrrolidine- 2,3- dione
Smiles: O=C1N(CCc2ccccc2)C(/C(=C(/O)\C)/C1=O)c1ccccc1F

STK841537
Synonyms: 8- (piperidin- 1- yl)- 9H- purin- 6- amine
Smiles: Nc1ncnc2c1nc([nH]2)N1CCCCC1

STK841539
Synonyms: 3,6- diamino- N- (4- bromophenyl)- 5- cyano- 4- [4- (propan- 2- yl)phenyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1c(N)nc2c(c1c1ccc(cc1)C(C)C)c(N)c(s2)C(=O)Nc1ccc(cc1)Br

STK841543
Synonyms: 2- [(4- oxo- 3- phenyl- 3,4- dihydroquinazolin- 2- yl)sulfanyl]- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2ccccc2c(=O)n1c1ccccc1)CCC

STK543218
Synonyms: methyl4- (4- chlorophenyl)- 5- cyano- 2- oxo- 6- [(2- oxo- 2- propoxyethyl)sulfanyl]- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: CCCOC(=O)CSC1=C(C#N)C(C(C(=O)N1)C(=O)OC)c1ccc(cc1)Cl

STK543229
Synonyms: (2E,5Z)- 2- [(2,4- dichlorophenyl)imino]- 5- [4- (octyloxy)benzylidene]- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\S/C(=N/c2ccc(cc2Cl)Cl)/NC1=O

STK543232
Synonyms: ethyl5- chloro- 3- [(cyclohexylcarbamoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)NC1CCCCC1)cc(cc2)Cl

STK543233
Synonyms: 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- (piperidin- 1- yl)ethane- 1,2- dione
Smiles: COc1ccc2c(c1)c(C(=O)C(=O)N1CCCCC1)c(n2C)C

STK543235
Synonyms: 4- (2,3- dichlorophenyl)- 5- phenyl- 2- (3,4,5- trimethoxyphenyl)- 1H- imidazole
Smiles: COc1c(OC)cc(cc1OC)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK543236
Synonyms: 2,2'- {[4,4'- di(prop- 2- en- 1- yl)- 4H,4'H- 3,3'- bi- 1,2,4- triazole- 5,5'- diyl]disulfanediyl}bis[1- (4- fluorophenyl)ethanone]
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)F)nnc1c1nnc(n1CC=C)SCC(=O)c1ccc(cc1)F

STK543237
Synonyms: 3- [3- (4- bromophenyl)- 4,5- dihydro- 1H- pyrazol- 5- yl]- 5- methoxy- 1H- indole
Smiles: COc1ccc2c(c1)c(c[nH]2)C1NN=C(C1)c1ccc(cc1)Br

STK841549
Synonyms: 2- (4- ethoxyphenyl)quinoline- 4- carboxamide
Smiles: CCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)N

STK841550
Synonyms: ethyl4- [({[5- (3- chloro- 1- benzothiophen- 2- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(o1)c1sc2c(c1Cl)cccc2

STK543248
Synonyms: 2'- (4- methylphenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Cc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK543249
Synonyms: (5Z)- 3- (3,4- dimethylphenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(c(c1)C)C

STK841559
Synonyms: prop- 2- en- 1- yl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)C

STK543257
Synonyms: 2- cyano- 2- {3- [4- (diphenylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}- N- (3- methoxypropyl)acetamide
Smiles: COCCCNC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N

STK841560
Synonyms: ethyl2- {[(1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)acetyl]amino}- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NC(=O)Cn1c(=O)c2cccc3c2c(c1=O)ccc3

STK841561
Synonyms: 2- (3,4- dimethoxyphenyl)- 1H- imidazo[4,5- c]pyridine
Smiles: COc1cc(ccc1OC)c1nc2c([nH]1)ccnc2

STK841563
Synonyms: 3- amino- N- (4- methylphenyl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK543262
Synonyms: ethyl1- (3- bromophenyl)- 4- [(3- bromophenyl)amino]- 2- methyl- 5- oxo- 2,5- dihydro- 1H- pyrrole- 2- carboxylate
Smiles: CCOC(=O)C1(C)C=C(C(=O)N1c1cccc(c1)Br)Nc1cccc(c1)Br

STK543266
Synonyms: 4- [(4- methoxybenzyl)sulfanyl]- 2- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: COc1ccc(cc1)CSc1nc(C)nc2c1c1CCCCc1s2

STK543267
Synonyms: (3aR,6aS)- 5- (2,4- dichlorophenyl)- 3- (3,4- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl

STK841566
Synonyms: prop- 2- en- 1- yl5- cyano- 6- [(2- ethoxy- 2- oxoethyl)sulfanyl]- 2- methyl- 4- (4- methylphenyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)OCC

STK543273
Synonyms: 2- (4- {[(2,4- dichlorophenyl)carbonyl]carbamothioyl}piperazin- 1- yl)- 8- ethyl- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1ccc(cc1Cl)Cl

STK841568
Synonyms: 2- (benzylsulfanyl)- 5- oxo- 4- [4- (propan- 2- yl)phenyl]- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)NC2=C(C1c1ccc(cc1)C(C)C)C(=O)CCC2

STK543280
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 1- methyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCO2

STK543285
Synonyms: (4Z)- 4- (1- hydroxyethylidene)- 5- (4- methoxyphenyl)- 1- (prop- 2- en- 1- yl)pyrrolidine- 2,3- dione
Smiles: C=CCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccc(cc1)OC

STK841572
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 5- methoxyphenyl4- nitrobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)/C=C/c1ccc(c(c1)OC)OC

STK543290
Synonyms: 5- [(3- nitrophenyl)amino]- 5- oxo- 2- propylpentanoicacid
Smiles: CCCC(C(=O)O)CCC(=O)Nc1cccc(c1)[N+](=O)[O-]

STK543293
Synonyms: 2'- (2,5- dimethylphenyl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Cc1ccc(c(c1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(C)C)C

STK543298
Synonyms: 1- [3- (4- bromophenyl)- 5- (4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 3- (diethylamino)propan- 1- one
Smiles: CCN(CCC(=O)N1N=C(CC1c1ccc(cc1)OC)c1ccc(cc1)Br)CC

STK543302
Synonyms: N,N'- dibenzyl- 2- methyl- 5- nitropyrimidine- 4,6- diamine
Smiles: Cc1nc(NCc2ccccc2)c(c(n1)NCc1ccccc1)[N+](=O)[O-]

STK543306
Synonyms: 1- benzyl- 4- hydroxy- 2- oxo- N- (1,3- thiazol- 2- yl)- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)c2CCCCc2n(c1=O)Cc1ccccc1)Nc1nccs1

STK841581
Synonyms: N- [4- ({[4- (prop- 2- en- 1- yl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)phenyl]benzenesulfonamide
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)NS(=O)(=O)c2ccccc2)nnc1c1ccncc1

STK841583
Synonyms: ethyl[(6- methoxy- 2- methylquinolin- 4- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1cc(C)nc2c1cc(OC)cc2

STK841584
Synonyms: 4- nitrobenzyl(2E)- 3- (thiophen- 2- yl)prop- 2- enoate
Smiles: O=C(/C=C/c1cccs1)OCc1ccc(cc1)[N+](=O)[O-]

STK543318
Synonyms: (4Z)- 5- (4- bromophenyl)- 4- (1- hydroxyethylidene)- 1- (hydroxymethyl)pyrrolidine- 2,3- dione
Smiles: OCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccc(cc1)Br

STK841586
Synonyms: ethyl4- [(2,4- dimethyl- 5- nitrophenyl)sulfonyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(cc1C)C

STK841589
Synonyms: 2- ethyl- 8,8- dimethyl- 3- (prop- 2- en- 1- yl)- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: C=CCn1c(CC)nc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C

STK543320
Synonyms: (3aR,4S,9aR,9bS)- 2- (4- methylphenyl)- 1,3- dioxo- 4- (phenylcarbonyl)- 2,3,3a,4,9a,9b- hexahydro- 1H- pyrrolo[3,4- a]indolizine- 8- carbonitrile
Smiles: N#CC1=C[C@H]2N(C=C1)[C@@H]([C@H]1[C@@H]2C(=O)N(C1=O)c1ccc(cc1)C)C(=O)c1ccccc1

STK543323
Synonyms: 2- [4- (benzyloxy)- 3- methoxyphenyl]- 5- (4- bromophenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1cc(ccc1OCc1ccccc1)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)Br

STK841590
Synonyms: prop- 2- en- 1- yl5- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)Nc1ccccc1C