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

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STK578959
Synonyms: 7- chloro- 2- (6- ethyl- 1,3- benzothiazol- 2- yl)- 1- (3- hydroxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)ccc(c1)Cl

STK578960
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(2- ethoxyphenyl)carbonyl]- 3'- [(4- methylphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK578962
Synonyms: 2- (2- chlorobenzyl)- 1- (3- methoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cccc(c1)C1N(Cc2ccccc2Cl)C(=O)c2c1c(=O)c1c(o2)cccc1

STK578964
Synonyms: (4E)- 1- (5- acetyl- 4- methyl- 1,3- thiazol- 2- yl)- 5- (3- chlorophenyl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]pyrrolidine- 2,3- dione
Smiles: Clc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK578965
Synonyms: (4E)- 5- (2,4- dimethoxyphenyl)- 4- {hydroxy[4- (2- methylpropoxy)phenyl]methylidene}- 1- (3- methoxypropyl)pyrrolidine- 2,3- dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC(C)C)/O)/C1c1ccc(cc1OC)OC

STK578966
Synonyms: 2- [(3a'S,6a'R)- 5'- (4- fluorobenzyl)- 7- methyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2cccc1C

STK578967
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- (4- methylphenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)C

STK578968
Synonyms: 2- [5- (2- chlorophenyl)furan- 2- yl]- 4- imino- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc(OC)c(c1)OC)c1ccc(o1)c1ccccc1Cl

STK578970
Synonyms: N- {(1Z)- 1- [2- (benzylamino)- 1- cyano- 2- oxoethylidene]- 1H- isoindol- 3- yl}furan- 2- carboxamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccco1)/C(=O)NCc1ccccc1

STK578971
Synonyms: 7- methyl- 6- (3- {[4- (propan- 2- yloxy)benzyl]oxy}propyl)- 6H- indolo[2,3- b]quinoxaline
Smiles: CC(Oc1ccc(cc1)COCCCn1c2c(C)cccc2c2c1nc1ccccc1n2)C

STK578972
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(4- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 5- [3- (3- methylbutoxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O)C

STK578974
Synonyms: 10- (2- chloro- 5- nitrophenyl)- 9- hydroxy- 7,7- dimethyl- 6,7,8,10- tetrahydro- 11H- indeno[1,2- b]quinolin- 11- one
Smiles: OC1=C2C(=NC3=C(C2c2cc(ccc2Cl)[N+](=O)[O-])C(=O)c2c3cccc2)CC(C1)(C)C

STK578975
Synonyms: 3- {5- chloro- 4- [(4- fluorobenzyl)amino]- 6- oxopyridazin- 1(6H)- yl}tricyclo[3.3.1.1~3,7~]decane- 1- carboxylicacid
Smiles: Fc1ccc(cc1)CNc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2)(C3)C(=O)O

STK578976
Synonyms: (3a'S,6a'R)- 3'- benzyl- 5'- (2- methoxyethyl)- 5,7- dimethyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cc(C)cc2C

STK578978
Synonyms: 2- [(3a'S,6a'R)- 5'- benzyl- 6- chloro- 7- methyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl

STK578981
Synonyms: (3R)- N- cyclopropyl- 2,2- dimethyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C1c2ccccc2C2N1[C@H](C(=O)NC1CC1)C(S2)(C)C

STK578982
Synonyms: 4- {[(E)- (4- methoxyphenyl)methylidene]amino}- 5- (3- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK578983
Synonyms: (2'S,3S,3'S,10b'R)- 2'- (1- benzofuran- 2- ylcarbonyl)- 3'- [(4- fluorophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cc4c(o1)cccc4)C(=O)Nc1c2cccc1)cccc3

STK578984
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,5- dimethoxyphenyl)acetamide
Smiles: COc1cc(NC(=O)CSc2nnc(n2c2ccccc2)c2cccc(c2)Cl)cc(c1)OC

STK578985
Synonyms: N- [4- (11- chloro- 6- oxo- 6,7,8,9- tetrahydro- 2H- cyclopenta[3,4]chromeno[8,7- e][1,3]oxazin- 3(4H)- yl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1COc2c(C1)c1oc(=O)c3c(c1cc2Cl)CCC3

STK578986
Synonyms: 5- (3,4- dimethoxyphenyl)- 3- [2- (3,4- dimethoxyphenyl)ethyl]- 4- imino- 8,8- dimethyl- 3,4,5,7,8,9- hexahydro- 6H- chromeno[2,3- d]pyrimidin- 6- one
Smiles: COc1ccc(cc1OC)CCn1cnc2c(c1=N)C(c1ccc(c(c1)OC)OC)C1=C(O2)CC(CC1=O)(C)C

STK578987
Synonyms: 8- (4- bromophenyl)- 3- (3- hydroxypropyl)- 1,7- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(cc1)Br)C

STK578989
Synonyms: N- {(1Z)- 1- [1- cyano- 2- oxo- 2- (propylamino)ethylidene]- 1H- isoindol- 3- yl}- 4- methylbenzamide
Smiles: CCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C)/C#N

STK578990
Synonyms: 4- {[(E)- (3- fluorophenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK578993
Synonyms: tert- butyl[(1S)- 1- {5- [(4- chlorobenzyl)sulfonyl]- 1,3,4- oxadiazol- 2- yl}- 2- phenylethyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)Cl)Cc1ccccc1

STK578994
Synonyms: 1'- cyclohexyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[benzo[g]pyrido[1,2- a][1,8]naphthyridine- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: O=C1NC(=O)C2(C(=O)N1C1CCCCC1)Cc1cc3ccccc3nc1N1C2CCCC1

STK578995
Synonyms: 4- {[(E)- biphenyl- 4- ylmethylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)c1ccccc1

STK578996
Synonyms: N,N- dibenzyl- 5,7- dimethyl[1,2,4]triazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N(Cc1ccccc1)Cc1ccccc1

STK578998
Synonyms: 3- (3,5- dichloro- 2- hydroxyphenyl)- 5- (naphthalen- 1- yl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cc(Cl)c(c(c1)C1N(OC2C1C(=O)N(C2=O)c1cccc2c1cccc2)c1ccccc1)O

STK579000
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK579001
Synonyms: 6- (4- chlorophenyl)- 9- (4- methoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccc(cc1)Cl

STK579002
Synonyms: N- (2- chlorophenyl)- 1- (4- ethoxyphenyl)- 4- (4- methoxyphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1Cl)cc3c1ccc(cc1)OC

STK579003
Synonyms: (2S)- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)- N- (4- phenoxyphenyl)propanamide
Smiles: C[C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)Oc1ccccc1

STK579004
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(2,4- dimethoxyphenyl)carbonyl]- 3'- [(3- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(c(c1)OC)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK579005
Synonyms: N- [1- (4- chlorophenyl)- 3- methyl- 1H- pyrazol- 5- yl]quinolin- 2- amine
Smiles: Clc1ccc(cc1)n1nc(cc1Nc1ccc2c(n1)cccc2)C

STK579006
Synonyms: 4- (2- methylpropyl)- 7- (pyrrolidin- 1- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CC(Cc1nc2oc3c(c2c2c1CCC2)ncnc3N1CCCC1)C

STK579007
Synonyms: {3- [4- {[4- (carboxymethyl)phenyl]amino}- 5- chloro- 6- oxopyridazin- 1(6H)- yl]tricyclo[3.3.1.1~3,7~]dec- 1- yl}aceticacid
Smiles: OC(=O)Cc1ccc(cc1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2)(C3)CC(=O)O

STK579008
Synonyms: 1- [(2E)- 2- (5- bromo- 2- hydroxybenzylidene)hydrazinyl]- 2- ethyl- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cc(Br)ccc1O)c1ccccc1n2

STK579009
Synonyms: 9- (2,4- dimethoxyphenyl)- 6- phenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(c(c1)OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1

STK579011
Synonyms: N- [(2Z)- 3- (2,5- dimethoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methoxyacetamide
Smiles: COCC(=O)/N=C/1\SC2C(N1c1cc(OC)ccc1OC)CS(=O)(=O)C2

STK579013
Synonyms: (1'R,2'R)- 7'- chloro- 2'- (2,5- dimethoxyphenyl)- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: COc1ccc(c(c1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)Cl)OC

STK579014
Synonyms: 8- chloro- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl{[(benzyloxy)carbonyl]amino}(phenyl)acetate
Smiles: O=C(NC(C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccccc1)OCc1ccccc1

STK579015
Synonyms: 3- {4- [(4- methylphenyl)sulfonyl]piperazin- 1- yl}- 1- (propan- 2- yl)- 6,7- dihydro- 5H- cyclopenta[c]pyridine- 4- carbonitrile
Smiles: N#Cc1c(nc(c2c1CCC2)C(C)C)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK579016
Synonyms: 2- {[4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- yl]amino}butan- 1- ol
Smiles: CCC(Nc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)CO

STK579017
Synonyms: 7- chloro- 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 1- (4- methylphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)C)c(=O)c1c(o2)ccc(c1)Cl

STK579019
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(2- ethoxyphenyl)carbonyl]- 3'- (thiophen- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK579020
Synonyms: N- [(2E)- 4- (4- methylphenyl)- 1,3- thiazol- 2(3H)- ylidene]- 3- (2- oxo- 1,3- benzothiazol- 3(2H)- yl)propanamide
Smiles: Cc1ccc(cc1)c1cs/c(=N/C(=O)CCn2c(=O)sc3c2cccc3)/[nH]1

STK579021
Synonyms: (6Z)- 2- (furan- 2- yl)- 5- imino- 6- [(4- oxo- 4H- chromen- 3- yl)methylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1coc2c(c1=O)cccc2)c1ccco1

STK579022
Synonyms: 1- {(2E)- 2- [4- (dimethylamino)benzylidene]hydrazinyl}- 2- ethyl- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1ccc(cc1)N(C)C)c1ccccc1n2

STK579024
Synonyms: 10- methyl- 2- pentyl- 3- phenylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCCCc1nc2c(c(=O)n1c1ccccc1)c(=O)c1c(n2C)cccc1

STK579025
Synonyms: 1- (4- methoxyphenyl)- 7- methyl- 2- (pyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK579026
Synonyms: 7- hydroxy- 5- (4- hydroxyphenyl)- 1- methyl- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(1H)- one
Smiles: C=CCSc1nc(=O)c2c(n1C)N=C(CC2c1ccc(cc1)O)O

STK579029
Synonyms: N- (2,5- dichlorophenyl)- 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1c1cccc(c1)C

STK579030
Synonyms: (2S)- N- (4- fluorophenyl)- 3- methyl- 2- (4- oxoquinazolin- 3(4H)- yl)butanamide
Smiles: CC([C@H](n1cnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)F)C

STK579031
Synonyms: (3a'S,6a'R)- 3'- benzyl- 5'- (butan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cccc2)C

STK579032
Synonyms: 8- methoxy- 5- methyl- 3- (2- sulfanylethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: SCCn1cnc2c(c1=O)n(C)c1c2cc(cc1)OC

STK579033
Synonyms: 1- [3- (benzyloxy)phenyl]- 7- chloro- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccc(c1)OCc1ccccc1)c1noc(c1)C

STK579035
Synonyms: 2- (4- fluorophenyl)- 10,10- dimethyl- 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)c1ccc(cc1)F

STK579036
Synonyms: 6- chloro- 2- oxo- 4- propyl- 2H- chromen- 7- ylN- [(4- methylphenyl)sulfonyl]norleucinate
Smiles: CCCCC(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CCC)NS(=O)(=O)c1ccc(cc1)C

STK579037
Synonyms: 1- (biphenyl- 4- yl)- 2- {[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)c1ccc(cc1)c1ccccc1

STK579038
Synonyms: ethyl2- ({[(3- fluorophenyl)carbonyl]carbamothioyl}amino)- 4- (propan- 2- yl)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(scc1C(C)C)NC(=S)NC(=O)c1cccc(c1)F

STK579039
Synonyms: N- (3- bromophenyl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1cccc(c1)Br

STK579040
Synonyms: ethyl4- {[({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)OC

STK579042
Synonyms: 4- [(Z)- (7- iminio- 2- methyl- 5- oxo- 5H- [1,2]oxazolo[2,3- a]pyrimidin- 6(7H)- ylidene)methyl]- 2,6- dimethoxyphenolate
Smiles: COc1cc(/C=C/2\C(=O)N=c3n(C2=[NH2+])oc(c3)C)cc(c1[O-])OC

STK579043
Synonyms: (2E)- 3- [4- (benzyloxy)- 3- methoxyphenyl]- N- [(2Z)- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]prop- 2- enamide
Smiles: COc1cc(/C=C/C(=O)/N=c/2\scc([nH]2)c2ccccc2)ccc1OCc1ccccc1

STK579047
Synonyms: 5- (4- fluorophenyl)- 4- {[(E)- (3- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)C

STK579048
Synonyms: N- (2,4- dimethoxyphenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK579051
Synonyms: 2- chloro- 7- methyl- 3- {(E)- [2- (5- phenylthieno[2,3- d]pyrimidin- 4- yl)hydrazinylidene]methyl}quinoline
Smiles: Cc1ccc2c(c1)nc(c(c2)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1)Cl

STK579052
Synonyms: (3a'S,6a'R)- 5'- butyl- 3'- (propan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cccc2

STK579053
Synonyms: 3- {(3R,3'S,3a'S,6a'R)- 2,4',6'- trioxo- 5'- [2- (trifluoromethyl)phenyl]- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl}propanamide
Smiles: NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1C(F)(F)F)C(=O)Nc1c2cccc1

STK579054
Synonyms: 2- (2- chlorobenzyl)- 1- (pyridin- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Clc1ccccc1CN1C(=O)c2c(C1c1cccnc1)c(=O)c1c(o2)cccc1

STK579056
Synonyms: (3R,3'S,5'R)- 5- fluoro- N- (4- methoxyphenyl)- 2- oxo- 5'- (propan- 2- yl)- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(F)cc1)C(C)C

STK579057
Synonyms: ethyl[1- (furan- 2- ylmethyl)- 5- oxo- 2- phenyl- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]carbamate
Smiles: CCOC(=O)NC1(N=C(N(C1=O)Cc1ccco1)c1ccccc1)C(F)(F)F

STK579058
Synonyms: 8- benzyl- N- (furan- 2- ylmethyl)- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- amine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c(NCc2ccco2)nc2n1nnn2

STK579059
Synonyms: 5- (4- methoxyphenyl)- 4- {[(E)- (3- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)C

STK579060
Synonyms: 4- butyl- 6- chloro- 2- oxo- 2H- chromen- 7- ylN- [(4- methylphenyl)sulfonyl]norvalinate
Smiles: CCCC(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CCCC)NS(=O)(=O)c1ccc(cc1)C

STK579061
Synonyms: 8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccccc1N1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK579062
Synonyms: N- (3- bromophenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK579063
Synonyms: 2,2- dichloro- N- [(2E)- 6- nitro- 1,3- benzothiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(C(Cl)Cl)/N=c\1/sc2c([nH]1)ccc(c2)[N+](=O)[O-]

STK579064
Synonyms: 3- {(2E)- 2- [(1- benzyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]hydrazinyl}- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: Cc1nn(c(c1/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1)C)Cc1ccccc1

STK579065
Synonyms: 5- (3- chlorophenyl)- 4- {[(E)- (2- methoxynaphthalen- 1- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc2c(c1/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl)cccc2

STK579066
Synonyms: 7- (2- ethoxyethyl)- 8- [(4- ethylpiperazin- 1- yl)methyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCOCCn1c(CN2CCN(CC2)CC)nc2c1c(=O)n(c(=O)n2C)C

STK579067
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [3- (benzyloxy)- 4- methoxyphenyl]methylidene}- 5- {[(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]methyl}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1OCc1ccccc1)/C=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N

STK579068
Synonyms: 2- [(2,2- diethoxyethyl)sulfanyl]- 3- (4- methoxyphenyl)- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCOC(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CC(OC3)(C)C)OCC

STK579069
Synonyms: 1'- [2- (3,4- dimethoxyphenyl)ethyl]- 2'- hydroxy- 15,16- dihydro- 4'H,4bH,6H,7H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5,5'- pyrimidine]- 4',6',7(1'H)- trione
Smiles: COc1ccc(cc1OC)CCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2)O

STK579070
Synonyms: N- (2- bromo- 4,6- difluorophenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- phenyl- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1c(F)cc(cc1Br)F)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C

STK579072
Synonyms: N- [3- (1,3- benzodioxol- 5- yl)- 4- oxo- 4H- thiochromen- 2- yl]- 2- fluorobenzamide
Smiles: O=C(c1ccccc1F)Nc1sc2ccccc2c(=O)c1c1ccc2c(c1)OCO2

STK579073
Synonyms: 8- [(2,5- dibromophenyl)sulfonyl]- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: Brc1ccc(c(c1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1)Br

STK579076
Synonyms: N'- {(E)- [1- (butan- 2- yl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}- 2- chlorobenzohydrazide
Smiles: CCC(N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2Cl)/C1=O)S)C

STK579078
Synonyms: (3a'S,6a'R)- 5- chloro- 5'- (2- methoxyethyl)- 3'- (2- methylpropyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cc(Cl)cc2

STK579080
Synonyms: N- (3,4- difluorophenyl)- 3- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CCn1nnc2c(c1=O)cccc2

STK579081
Synonyms: (3R,3'S,5'S)- N- (4- methoxyphenyl)- 5,7- dimethyl- 5'- (2- methylpropyl)- 2- oxo- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1C)CC(C)C

STK579082
Synonyms: 1- (4- ethoxyphenyl)- N,4- bis(4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK579083
Synonyms: 8- (4- methylpiperazin- 1- yl)- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinoline
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3N1CCN(CC1)C

STK579086
Synonyms: 10- (2- methylpropyl)- 2,7,8,9- tetrahydro- 3H- cyclopenta[4',5']pyrido[3',2':4,5]furo[2,3- e][1,2,4]triazolo[4,3- c]pyrimidine- 3- thione
Smiles: CC(Cc1nc2oc3c(c2c2c1CCC2)ncn1c3n[nH]c1=S)C

STK579087
Synonyms: (1S,2S)- N'- {(E)- [5- (2- nitrophenyl)furan- 2- yl]methylidene}- 2- phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK579088
Synonyms: N- (2- methoxyethyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccccc1)Cc1cc2ccccc2[nH]c1=O

STK579090
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(4- fluorophenyl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(cc1)F

STK579092
Synonyms: [4- (4- methoxyphenyl)piperazin- 1- yl](4,5,6- trimethoxy- 1H- indol- 2- yl)methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2c([nH]1)cc(c(c2OC)OC)OC

STK579094
Synonyms: 9- (5- methyl- 1,2- oxazol- 3- yl)- 8- phenyl- 8,9- dihydrobenzo[7,8]chromeno[2,3- c]pyrrole- 7,10- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)c2ccccc2cc1

STK579095
Synonyms: 1- hydroxy- 9- oxo- 9H- xanthen- 3- yl4- {[(benzyloxy)carbonyl]amino}butanoate
Smiles: O=C(OCc1ccccc1)NCCCC(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1

STK579097
Synonyms: (4Z)- 6- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 4- [(2- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)c1ccccc1F

STK579098
Synonyms: 6'- hydroxy- 2,4- dimethyl- 8- nitro- 3'- phenyl- 1,2,4,4a- tetrahydro- 2'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CC1OC(C)C2N(C1)c1ccc(cc1CC12C(=NC(=O)N(C1=O)c1ccccc1)O)[N+](=O)[O-]

STK579099
Synonyms: 4- hydroxy- 1,7- dimethyl- 8- (prop- 2- en- 1- yl)- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: C=CCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK579100
Synonyms: 4- {[(E)- (4- ethoxyphenyl)methylidene]amino}- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccc(cc1)F

STK579102
Synonyms: 8- (3- methoxyphenyl)- 1,6,7- trimethyl- 3- (2- phenylethyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1cccc(c1)n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)CCc1ccccc1

STK579103
Synonyms: N- [3- (5- methyl- 7- oxo- 3- phenyl- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]glycyl- S- benzyl- D- cysteine
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)NCC(=O)N[C@@H](C(=O)O)CSCc1ccccc1

STK579104
Synonyms: 4- [(2E)- 2- (quinoxalin- 6- ylmethylidene)hydrazinyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: N(=C\c1ccc2c(c1)nccn2)/Nc1ncnc2c1c1CCCCc1s2

STK579106
Synonyms: 2- [(2,2- diethoxyethyl)sulfanyl]- 6,6- dimethyl- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCOC(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C)OCC

STK579108
Synonyms: 6- (2- chloro- 6- fluorobenzyl)- 9- fluoro- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 5(6H)- one
Smiles: Fc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1c(F)cccc1Cl

STK579109
Synonyms: [(benzylamino)(phenyl)methyl](2- phenylethyl)phosphinicacid
Smiles: OP(=O)(C(c1ccccc1)NCc1ccccc1)CCc1ccccc1

STK579110
Synonyms: 4- hydroxy- 1,7- dimethyl- 8- (tetrahydrofuran- 2- ylmethyl)- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Oc1nc(=O)n(c2c1n1cc(n(c1n2)CC1CCCO1)C)C

STK579111
Synonyms: 8- (5- chloro- 2- methoxyphenyl)- 4- hydroxy- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: COc1ccc(cc1n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C)Cl

STK579112
Synonyms: (3a'S,6a'R)- 5'- benzyl- 5- chloro- 3'- (3,4- dihydroxybenzyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)Cc1ccc(c(c1)O)O)C(=O)N2

STK579113
Synonyms: 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (3- phenylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

STK579114
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK579115
Synonyms: N- (3- bromophenyl)- 6- (4- oxoquinazolin- 3(4H)- yl)hexanamide
Smiles: O=C(Nc1cccc(c1)Br)CCCCCn1cnc2c(c1=O)cccc2

STK579117
Synonyms: (3E)- 4- imino- 3- (3,4,5- trimethoxybenzylidene)- 3,4- dihydro- 2H- pyrimido[2,1- b][1,3]benzothiazol- 2- one
Smiles: COc1cc(/C=C\2/C(=O)N=c3n(C2=N)c2ccccc2s3)cc(c1OC)OC

STK579118
Synonyms: 5- (5- chloro- 2- methoxyphenyl)- 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2)Cl

STK579120
Synonyms: N'- [(Z)- (4- hydroxy- 3- methoxy- 5- nitrophenyl)methylidene]- 2,3,4,9- tetrahydro- 1H- carbazole- 6- carbohydrazide
Smiles: COc1cc(/C=N\NC(=O)c2ccc3c(c2)c2CCCCc2[nH]3)cc(c1O)[N+](=O)[O-]

STK579124
Synonyms: 1- amino- 8,8- dimethyl- 5- (pyrrolidin- 1- yl)- N- (tetrahydrofuran- 2- ylmethyl)- 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)N1CCCC1)NCC1CCCO1

STK579127
Synonyms: ethylN- ({[5- (2- chlorophenyl)- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)OCC)c1ccccc1Cl

STK579128
Synonyms: 6- benzyl- 2- [(3- methoxybenzyl)amino]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: COc1cccc(c1)CNc1nn2c(n1)nc(c(c2O)Cc1ccccc1)C

STK579129
Synonyms: 13- [5- (4- acetylphenyl)furan- 2- yl]- 9,10- dimethoxy- 3,3- dimethyl- 2,3,4,6,7,13- hexahydro- 1H- isoquino[2,1- a]quinolin- 1- one
Smiles: COc1cc2CCN3C(=CC(C4=C3CC(C)(C)CC4=O)c3ccc(o3)c3ccc(cc3)C(=O)C)c2cc1OC

STK579130
Synonyms: 2,2,5- trimethyl- N- (3- methylbutyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: CC(CCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)C

STK579133
Synonyms: N- (3,5- dimethylphenyl)- 6- (4- hydroxyphenyl)- 4- methyl- 2- sulfanyl- 1,6- dihydropyrimidine- 5- carboxamide
Smiles: Oc1ccc(cc1)C1NC(=NC(=C1C(=O)Nc1cc(C)cc(c1)C)C)S

STK579135
Synonyms: 2- {4- [4- chloro- 2- (prop- 2- en- 1- yl)phenoxy]quinazolin- 2- yl}phenol
Smiles: C=CCc1cc(Cl)ccc1Oc1nc(nc2c1cccc2)c1ccccc1O

STK579136
Synonyms: (4Z)- 6- {[4- (2- methoxyphenyl)piperazin- 1- yl]methyl}- 4- (phenylimino)- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccccc2)/[nH]1

STK579137
Synonyms: 3- benzyl- 2- (4- tert- butylphenyl)- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: Cn1c2nc(c3ccc(cc3)C(C)(C)C)n(c(=O)c2c(=O)c2c1cccc2)Cc1ccccc1

STK579138
Synonyms: (1E,2E)- 1- {2- (2- fluorophenyl)- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}- 3- phenylprop- 2- en- 1- olate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)CCC[NH+]1CCOCC1)/C=C/c1ccccc1

STK579139
Synonyms: (3a'S,6a'R)- 5'- (2- methoxyethyl)- 3'- methyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C)C(=O)Nc2c1cccc2

STK579140
Synonyms: (4E)- 5- (2- fluorophenyl)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- [5- (methylsulfanyl)- 1,3,4- thiadiazol- 2- yl]pyrrolidine- 2,3- dione
Smiles: CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1ccccc1F

STK579141
Synonyms: 1- (4- chlorophenyl)- 7- ethyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)Cl)c1noc(c1)C

STK579142
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)OC

STK579143
Synonyms: (1S,2S)- 2- phenyl- N'- [(E)- quinoxalin- 6- ylmethylidene]cyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc2c(c1)nccn2

STK579145
Synonyms: 3- (3,4- dimethoxyphenyl)- 11- methyl- 3,4- dihydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: COc1ccc(cc1OC)C1CC(=C2C(=Nc3ccccc3N=C2C)C1)O

STK579147
Synonyms: 1- (4- methoxyphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)OC)c1cccc(c1)C

STK579149
Synonyms: (3a'S,6a'R)- 3'- (1H- indol- 3- ylmethyl)- 5'- (3- methoxyphenyl)- 5,7- dimethyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(C)cc2C

STK579150
Synonyms: 2- (benzylsulfanyl)- 9- (2,4- dimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1cc(OC)ccc1C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK579153
Synonyms: N- methyl- 4- nitro- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C

STK579154
Synonyms: (2E)- 3- (4- chlorophenyl)- 2- cyano- N- [(2E)- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(cc1)Cl)/C(=O)/N=c\1/scc([nH]1)c1ccccc1

STK579155
Synonyms: (2E)- 1- (5- methylidene- 7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 6(5H)- yl)- 3- (thiophen- 2- yl)prop- 2- en- 1- one
Smiles: O=C(N1CCc2c(C1=C)cc1c(c2)OCO1)/C=C/c1cccs1

STK579157
Synonyms: 9- (2- chloro- 6- fluorobenzyl)- 6- methyl- 2,3,9,10- tetrahydro- 8H- cyclopenta[3,4]chromeno[6,7- e][1,3]oxazin- 4(1H)- one
Smiles: Fc1cccc(c1CN1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2)Cl

STK579158
Synonyms: 4- methoxy- N'- [(E)- (3- methoxyphenyl)methylidene]- 1H- indole- 2- carbohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)c1cc2c([nH]1)cccc2OC

STK579159
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1cccc2c1cccc2

STK579161
Synonyms: 4- {[(E)- (3- bromo- 4- methoxyphenyl)methylidene]amino}- 5- (4- chlorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)Cl

STK579163
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 5,6- dimethylpyrimidin- 4- ol
Smiles: Cc1nc(nc(c1C)O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK579164
Synonyms: (3S)- N- [(1R)- 2- (2,3- dihydro- 1,4- benzodioxin- 6- ylamino)- 2- oxo- 1- phenylethyl]- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C([C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCCO2

STK579166
Synonyms: 6- (2- hydroxyphenyl)- 9- (3- methylphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Cc1cccc(c1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1O

STK579168
Synonyms: ethyl4- {[1,3- dimethyl- 2,6- dioxo- 7- (2- oxopropyl)- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]methyl}piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1nc2c(n1CC(=O)C)c(=O)n(c(=O)n2C)C

STK579170
Synonyms: {1- [3- (4- fluorophenoxy)propyl]- 1H- benzimidazol- 2- yl}(phenyl)methanol
Smiles: Fc1ccc(cc1)OCCCn1c(nc2c1cccc2)C(c1ccccc1)O

STK579176
Synonyms: 6,8- dibromo- 2,4- dihydroxy- N- (pyridin- 2- ylmethyl)quinoline- 3- carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NCc1ccccn1

STK579177
Synonyms: (3S)- N- {(1R)- 2- [(4- methoxyphenyl)amino]- 2- oxo- 1- phenylethyl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2

STK579180
Synonyms: N- [(2Z)- 3- (2,6- dimethylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1c(C)cccc1C)CS(=O)(=O)C2

STK579184
Synonyms: N- (3,4- dimethoxyphenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK579185
Synonyms: 4- methoxy- N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methoxyphenyl)benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)OC)Cc1cc2cc(OC)ccc2[nH]c1=O

STK579186
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- [(E)- 2- phenylethenyl]- 6- [3- (trifluoromethyl)phenyl]- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)/C=C/c1ccccc1

STK579188
Synonyms: 1- (biphenyl- 4- yl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)c2ccccc2)nnc1COc1ccc(cc1)C

STK579189
Synonyms: 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 7- methyl- 1- (4- methylphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK579191
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [3,5- bis(trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

STK579193
Synonyms: 1- {[7- (4- fluorobenzyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]methyl}piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C

STK579195
Synonyms: 2- methoxyethyl2- amino- 6- (hydroxymethyl)- 4- [4- (methoxycarbonyl)phenyl]- 8- oxo- 4,8- dihydropyrano[3,2- b]pyran- 3- carboxylate
Smiles: COCCOC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)C(=O)OC)oc(cc2=O)CO

STK579196
Synonyms: 3- (3- chlorobenzyl)- 8- (2,4- dimethoxyphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1cc(OC)ccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)Cl

STK579197
Synonyms: (5E)- 5- {[1- (3,5- dichlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 3- (furan- 2- ylmethyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1cc(Cl)cc(c1)n1c(C)cc(c1C)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O

STK579198
Synonyms: 7- bromo- 2- methyl- 1- (pyridin- 4- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Brc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccncc1)C

STK579202
Synonyms: 1- (4- fluorophenyl)- N- (3- methylphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)C)c1ccc(cc1)F

STK579204
Synonyms: N- (4- fluorophenyl)- 4- methoxy- 1H- indole- 2- carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)Nc1ccc(cc1)F

STK579206
Synonyms: 7,7- dimethyl- 4- [(3- methylbutyl)sulfanyl]- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CC(CCSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C)C

STK579208
Synonyms: {2- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[methyl(phenyl)amino]methyl}- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccccc1/C=N/NC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N

STK579211
Synonyms: ethyl4- (2- formyl- 4- nitrophenyl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ccc(cc1C=O)[N+](=O)[O-]

STK579212
Synonyms: 7- (2,3- dihydroxypropyl)- 8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCC(Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C)O

STK579213
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- fluorophenyl)carbonyl]- 2'- (phenylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3

STK579216
Synonyms: (3Z)- 1- ethyl- 3- (4- hydroxy- 2- oxo- 1,3- thiazol- 5(2H)- ylidene)- 1,3- dihydro- 2H- indol- 2- one
Smiles: CCN1C(=O)/C(=C/2\SC(=O)N=C2O)/c2c1cccc2

STK579217
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [3,5- bis(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK579218
Synonyms: 4- chloro- N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}benzamide
Smiles: Clc1ccc(cc1)C(=O)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK579219
Synonyms: 9- (4- fluorophenyl)- 7- phenylpyrido[3',2':4,5]thieno[3,2- d]pyrimidine- 2,4- diol
Smiles: Fc1ccc(cc1)c1cc(nc2c1c1nc(O)nc(c1s2)O)c1ccccc1

STK579220
Synonyms: N- [(2Z)- 3- (4- chloro- 2- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1ccc(cc1OC)Cl)CS(=O)(=O)C2

STK579221
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[4- ethyl- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)OCc2ccccc2)nnc1Cc1cccs1

STK579222
Synonyms: 2- methyl- 3- pentylpyrimido[1,2- a]benzimidazol- 4- ol
Smiles: CCCCCc1c(C)nc2n(c1O)c1ccccc1n2

STK579224
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccnc1

STK579225
Synonyms: 6- benzyl- 2- [(2- methoxybenzyl)amino]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: COc1ccccc1CNc1nn2c([nH]1)nc(c(c2=O)Cc1ccccc1)C

STK579226
Synonyms: 5- (3,4- dichlorophenyl)- N'- [(E)- (3,5- dimethyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl)N/N=C/c1c(C)nn(c1C)c1ccccc1

STK579227
Synonyms: 6- chloro- 3,4- dimethyl- 9- [2- methyl- 6- (propan- 2- yl)phenyl]- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: CC(c1cccc(c1N1COc2c(C1)c1oc(=O)c(c(c1cc2Cl)C)C)C)C

STK579229
Synonyms: 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (4- fluorobenzyl)hexanamide
Smiles: O=C(NCc1ccc(cc1)F)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK579230
Synonyms: 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK579231
Synonyms: 9- (4- methoxyphenyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: C=CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccc(cc1)OC

STK579232
Synonyms: 2- (1,3- benzoxazol- 2- ylamino)- 4- (3,5- difluorophenyl)- 7- methyl- 4,6,7,8- tetrahydroquinazolin- 5- ol
Smiles: Fc1cc(F)cc(c1)C1N=C(Nc2nc3c(o2)cccc3)N=C2C1=C(O)CC(C2)C

STK579236
Synonyms: 1- methyl- 9- phenyl- 3- [2- (piperidin- 1- yl)ethyl]- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccccc1

STK579237
Synonyms: 2- (4- ethylpiperazin- 1- yl)- 3- (4- methoxyphenyl)- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCN1CCN(CC1)c1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCCC3

STK579238
Synonyms: (5E)- 4- hydroxy- 5- [(2E)- 3- phenylprop- 2- en- 1- ylidene]- 1,3- thiazol- 2(5H)- one
Smiles: O=C1N=C(/C(=C\C=C\c2ccccc2)/S1)O

STK579240
Synonyms: 4- (2- chlorophenyl)- 3,4,5,6- tetrahydrobenzo[h]quinazolin- 2- ol
Smiles: OC1=NC2=C(C(N1)c1ccccc1Cl)CCc1c2cccc1

STK579241
Synonyms: 3,4- dimethoxy- N- (2- methoxyethyl)- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccc(c(c1)OC)OC)Cc1cc2ccc(cc2[nH]c1=O)C

STK579244
Synonyms: (2- benzyl- 4- hydroxy- 1,1- dioxido- 2H- 1,2- benzothiazin- 3- yl)(phenyl)methanone
Smiles: O=C(C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1)c1ccccc1

STK579245
Synonyms: ethyl2- [(6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)methyl]- 5- methyl- 4- oxo- 3,4- dihydrothieno[2,3- d]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)CN1CCc2c(C1C)cc(c(c2)OC)OC

STK579246
Synonyms: 4- {[4- (4- methoxyphenyl)piperazin- 1- ium- 1- yl]methyl}- 7- methyl- 2- oxo- 2H- chromen- 5- olate
Smiles: COc1ccc(cc1)N1CC[NH+](CC1)Cc1cc(=O)oc2c1c([O-])cc(c2)C

STK579247
Synonyms: (5Z)- 5- {1- [(1,3- benzodioxol- 5- ylmethyl)amino]ethylidene}- 3- benzyl- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(/NCc2ccc3c(c2)OCO3)\C)/C(=O)N1Cc1ccccc1

STK579248
Synonyms: N- (2,4- dichlorophenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK579249
Synonyms: 1- (2- ethylphenyl)- 1',6'- dimethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4,6(1H,3H)- trione
Smiles: CCc1ccccc1N1C(=O)NC(=O)C2(C1=O)CN(C)c1c(C2)cc(cc1)C

STK579250
Synonyms: 7- hydroxy- 5- (4- hydroxy- 3,5- dimethoxyphenyl)- 1- methyl- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(1H)- one
Smiles: C=CCSc1nc(=O)c2c(n1C)N=C(CC2c1cc(OC)c(c(c1)OC)O)O

STK579251
Synonyms: (2Z)- 2- (1,3- benzodioxol- 5- ylmethylidene)- 7- {[bis(2- methoxyethyl)ammonio]methyl}- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/C2=O)CCOC

STK579252
Synonyms: (4E)- 5- (4- fluorophenyl)- 1- hexadecyl- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)F

STK579253
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK579255
Synonyms: 4- hydroxy- 1,9- dimethyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purin- 2(1H)- one
Smiles: CN1CCCn2c1nc1c2c(O)nc(=O)n1C

STK579257
Synonyms: N- [(2Z)- 5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 1- oxo- 3,4- dihydro- 1H- isochromene- 3- carboxamide
Smiles: O=C(C1OC(=O)c2c(C1)cccc2)/N=c\1/[nH]nc(s1)SCc1ccccc1

STK579258
Synonyms: (2E)- N- [(2Z)- 5- [(2- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 2- oxoethyl)sulfanyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- phenylprop- 2- enamide
Smiles: COc1cc(CCNC(=O)CSc2n[nH]/c(=N/C(=O)/C=C/c3ccccc3)/s2)ccc1OC

STK579259
Synonyms: 4- hydroxy- 2- (methylsulfanyl)- 5- (4- nitrophenyl)- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: CSc1nc(O)c2c(n1)NC(=O)CC2c1ccc(cc1)[N+](=O)[O-]

STK579261
Synonyms: (4E)- 2- (3,4- dimethylphenyl)- 4- [(1,3- thiazol- 2- ylamino)methylidene]isoquinoline- 1,3(2H,4H)- dione
Smiles: O=C1/C(=C/Nc2nccs2)/c2ccccc2C(=O)N1c1ccc(c(c1)C)C

STK579262
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CCn1nnc2c(c1=O)cccc2

STK579263
Synonyms: 2- [4- (4- chloro- 2- methylphenoxy)quinazolin- 2- yl]phenol
Smiles: Clc1ccc(c(c1)C)Oc1nc(nc2c1cccc2)c1ccccc1O

STK579264
Synonyms: N- [(2E)- 5,5- dioxido- 3- (prop- 2- en- 1- yl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- phenylacetamide
Smiles: C=CCN1/C(=N\C(=O)Cc2ccccc2)/SC2C1CS(=O)(=O)C2

STK579268
Synonyms: (4E)- 5- (3- butoxyphenyl)- 1- (6- fluoro- 1,3- benzothiazol- 2- yl)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F

STK579269
Synonyms: 5- methyl- 3- phenyl- 6- (prop- 2- en- 1- yl)pyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: C=CCc1c(C)nc2n(c1O)ncc2c1ccccc1

STK579270
Synonyms: (3a'S,6a'R)- 3'- (1H- indol- 3- ylmethyl)- 5'- (3- methylphenyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Cc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cccc2

STK579271
Synonyms: 3- (1H- benzimidazol- 1- yl)- 1- [4- (2- methoxyphenyl)piperazin- 1- yl]propan- 1- one
Smiles: COc1ccccc1N1CCN(CC1)C(=O)CCn1cnc2c1cccc2

STK579272
Synonyms: 3- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- N- [4- (trifluoromethyl)phenyl]propanamide
Smiles: O=C(Nc1ccc(cc1)C(F)(F)F)CCn1c(O)nc2c(c1=O)cccc2

STK579273
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- chloro- 4- fluorophenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(c(c1)Cl)F

STK579274
Synonyms: (3a'S,6a'R)- 7- chloro- 5'- (4- fluorobenzyl)- 3'- (1- hydroxyethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Fc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cccc2Cl

STK579275
Synonyms: methylN- [(3,4- dichlorophenyl)carbamoyl]- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(c(c1)Cl)Cl

STK579276
Synonyms: (5E)- 5- {1- [(2- fluorophenyl)amino]ethylidene}- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C(/Nc1ccccc1F)\C)c1ccccc1C

STK579277
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 3,6,6- trimethyl- 4- oxo- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: COc1cc(CCNC(=O)c2oc3c(c2C)C(=O)CC(C3)(C)C)ccc1OC

STK579279
Synonyms: 4- chloro- N- [(3Z)- 6- methoxy- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzamide
Smiles: COc1ccc2c(c1)cc1c(n2)n([nH]/c/1=N\C(=O)c1ccc(cc1)Cl)CC(C)C

STK579281
Synonyms: 1- [4- (acetylamino)phenyl]- N- cyclopentyl- 4- oxo- 2- [(E)- 2- phenylethenyl]azetidine- 2- carboxamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)CC1(/C=C/c1ccccc1)C(=O)NC1CCCC1

STK579282
Synonyms: 5- (3- ethoxyphenyl)- 4- {[(E)- (2- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1C

STK579283
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 4- amine
Smiles: Fc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1ccc(cc1)Br

STK579285
Synonyms: (5Z)- 5- [(6- methoxy- 4- oxo- 4H- chromen- 3- yl)methylidene]- 3- methyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc2c(c1)c(=O)c(co2)/C=C/1\SC(=S)N(C1=O)C

STK579287
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 6- ethyl- 7- hydroxy- 8- {[4- (2- hydroxyethyl)piperazin- 1- yl]methyl}- 4H- chromen- 4- one
Smiles: OCCN1CCN(CC1)Cc1c(O)c(CC)cc2c1occ(c2=O)c1nc2c(s1)cccc2

STK579288
Synonyms: N- (2- ethoxyphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK579289
Synonyms: ethylN- ({[5- (3- chlorophenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1CC)c1cccc(c1)Cl

STK579290
Synonyms: 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (3- methylphenyl)hexanamide
Smiles: O=C(Nc1cccc(c1)C)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK579291
Synonyms: 3- [2- (cyclohex- 1- en- 1- yl)ethyl]- 3,4,7,8,9,10- hexahydro- 2H,6H- benzo[3,4]chromeno[8,7- e][1,3]oxazin- 6- one
Smiles: O=c1oc2c3CN(CCC4=CCCCC4)COc3ccc2c2c1CCCC2

STK579292
Synonyms: 4- ({[4- (4- chlorophenyl)- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzonitrile
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCc1ccc(cc1)C#N

STK579295
Synonyms: 4- ({(E)- [4- (diethylamino)phenyl]methylidene}amino)- 5- (4- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)N(CC)CC

STK579296
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)C(C)C

STK579298
Synonyms: (4E)- 1- {5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- [3- (pentyloxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK579302
Synonyms: 8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (3- oxobutan- 2- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=O)C(n1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C)C

STK579303
Synonyms: N'- [(E)- (2- hydroxynaphthalen- 1- yl)methylidene]- 5- [4- (2- phenylethoxy)phenyl]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(cc1)OCCc1ccccc1)N/N=C/c1c(O)ccc2c1cccc2

STK579305
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,4- dichlorophenyl)acetamide
Smiles: Clc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCC(=O)Nc1ccc(cc1Cl)Cl

STK579306
Synonyms: 2- chloro- 6- methyl- 3- {(E)- [2- (5- phenylthieno[2,3- d]pyrimidin- 4- yl)hydrazinylidene]methyl}quinoline
Smiles: Cc1ccc2c(c1)cc(c(n2)Cl)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK579308
Synonyms: 4- hydroxy- 1- methyl- 8- (4- phenoxyphenyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purin- 2(6H)- one
Smiles: Oc1nc(=O)n(c2c1n1CCN(c1n2)c1ccc(cc1)Oc1ccccc1)C

STK579309
Synonyms: (2'S,3R,3'S,7a'S)- 7''- chloro- 2'- [(4- fluorophenyl)carbonyl]- 5''- methyl- 5',6',7',7a'- tetrahydrodispiro[indole- 3,1'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2cc(C)cc3Cl)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2

STK579310
Synonyms: N'- (2,2- dimethyl- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl)- N,N- diethylethane- 1,2- diamine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCN(CC)CC

STK579311
Synonyms: 1- methyl- 8- (2- methylphenyl)- 3- [(2E)- 3- phenylprop- 2- en- 1- yl]- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Cc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)C/C=C/c1ccccc1

STK579312
Synonyms: 7- chloro- 1- (2- fluorophenyl)- 6- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cc(c(c1)Cl)C

STK579313
Synonyms: 5- {2- [(2,2- dimethoxyethyl)(methyl)amino]- 5- nitrobenzylidene}- 1- (4- methylpentyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COC(CN(c1ccc(cc1/C=C\1/C(=O)NC(=O)N(C1=O)CCCC(C)C)[N+](=O)[O-])C)OC

STK579314
Synonyms: (5E)- 3- benzyl- 5- [(1- ethyl- 1H- indol- 3- yl)methylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O

STK579316
Synonyms: 4- (3,4- dichlorophenyl)- N- (4- methoxyphenyl)- 1- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl

STK579317
Synonyms: 8- {[4- (furan- 2- ylcarbonyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- oxopropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=O)Cn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2c1c(=O)n(c(=O)n2C)C

STK579319
Synonyms: ethyl(1,3- dimethyl- 2,4,6- trioxo- 1,1',2',3,3',3a',4,6- octahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinolin]- 7'- yl)carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C

STK579320
Synonyms: (4E)- 5- (4- ethoxyphenyl)- 4- [(4- ethoxyphenyl)(hydroxy)methylidene]- 1- [2- (2- hydroxyethoxy)ethyl]pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(c2ccc(cc2)OCC)/C(=C(/c2ccc(cc2)OCC)\O)/C(=O)C1=O

STK579321
Synonyms: (3a'S,6a'R)- 7- chloro- 3'- (3,4- dihydroxybenzyl)- 5'- (3- methoxypropyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2Cl

STK579322
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK579323
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[4- (4- chlorophenyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cc(Cl)ccc1C

STK579324
Synonyms: 1- (2,2- dimethyl- 4- phenyltetrahydro- 2H- pyran- 4- yl)- N- (furan- 2- ylmethyl)propan- 2- amine
Smiles: CC(CC1(CCOC(C1)(C)C)c1ccccc1)NCc1ccco1

STK579325
Synonyms: 4- {[(E)- (3- methoxyphenyl)methylidene]amino}- 5- (3- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK579326
Synonyms: 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK579327
Synonyms: 8- (4- ethoxyphenyl)- 1- methyl- 3- (4- methylbenzyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)C

STK579328
Synonyms: 5- butyl- 3- cyclohexyl- 3H- pyrrolo[2',3':4,5]pyrimido[1,6- a]benzimidazol- 1- ylpentanoate
Smiles: CCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCC)cccc3)C1CCCCC1

STK579329
Synonyms: N- [2- (4- chlorophenyl)- 6- methyl- 5- oxo- 4- phenyl- 2,5- dihydropyridazin- 3- yl]- 3- nitrobenzamide
Smiles: Clc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK579331
Synonyms: N- (3- chlorophenyl)- 2- hydroxy- 7- (4- methoxyphenyl)- 5- oxo- 3,4,5,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)N=C(CC2C(=O)Nc1cccc(c1)Cl)O

STK579333
Synonyms: 3- (11- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)phenol
Smiles: Oc1cccc(c1)c1nn2c(n1)c1c(nc2)sc2c1C(C)CCC2

STK579335
Synonyms: 3- {(Z)- [3- (butan- 2- yl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 7- methyl- 2- (4- phenylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2)/C1=O)C

STK579336
Synonyms: 8- (diethylamino)- 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCN(c1nc2c(n1CC(COc1ccc(cc1)C)O)c(O)nc(=O)n2C)CC

STK579338
Synonyms: (2S)- N- (3- fluorophenyl)- 3- methyl- 2- (4- oxoquinazolin- 3(4H)- yl)butanamide
Smiles: Fc1cccc(c1)NC(=O)[C@@H](n1cnc2c(c1=O)cccc2)C(C)C

STK579340
Synonyms: 2- [(2- fluorobenzyl)sulfanyl]- 6- (propan- 2- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CC(C1OCc2c(C1)c1c(N)nc(nc1s2)SCc1ccccc1F)C

STK579341
Synonyms: (3R,3'S,5'R)- 7- chloro- N- (4- methoxyphenyl)- 5- methyl- 5'- [2- (methylsulfanyl)ethyl]- 2- oxo- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: CSCC[C@H]1C[C@@H]([C@]2(N1)C(=O)Nc1c2cc(C)cc1Cl)C(=O)Nc1ccc(cc1)OC

STK579342
Synonyms: N- (2- ethyl- 6- methylphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCc1cccc(c1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1)C

STK579346
Synonyms: 3- (3- chlorophenyl)- 7- methyl- 2- (4- methylpiperidin- 1- yl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC1CCN(CC1)c1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C

STK579348
Synonyms: 5- (3- chlorophenyl)- 4- {[(E)- (3- methoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK579350
Synonyms: 3- benzyl- 2- cyclohexyl- 4H- thiochromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: O=c1n(Cc2ccccc2)c(nc2c1c(=O)c1c(s2)cccc1)C1CCCCC1

STK579352
Synonyms: 2- (4- fluorophenyl)- 4- imino- 6,7- dihydro- 4H- [1,3]dioxolo[4,5- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(cc1)F

STK579353
Synonyms: 4- (4- chlorophenyl)- 3- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazole
Smiles: Clc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1Cc1cccs1

STK579355
Synonyms: 2- {[4- (3- chlorophenyl)- 8- methyl- 5- oxo- 4,5,6,7,8,9- hexahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- (tetrahydrofuran- 2- ylmethyl)acetamide
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCC(=O)NCC1CCCO1)nn2)c1cccc(c1)Cl

STK579356
Synonyms: 1- phenyl- 2- [6- (propan- 2- yl)- 1,3- benzothiazol- 2- yl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CC(c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cccc1)C

STK579359
Synonyms: 4- {[(E)- (5- methylfuran- 2- yl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(o1)C

STK579361
Synonyms: {2- [(3aR,4R,4aR,7aS,8R,8aR)- 6- (3- chloro- 4- fluorophenyl)- 5,7- dioxo- 4,4a,5,6,7,7a,8,8a- octahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 3- yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)F

STK579362
Synonyms: (3S,3a'R,8a'S,8b'S)- 7- chloro- 2'- (4- chloro- 2- methoxy- 5- methylphenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1cc(Cl)c(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2Cl)C

STK579363
Synonyms: 2- (4- bromophenyl)- N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}acetamide
Smiles: O=C(Cc1ccc(cc1)Br)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK579364
Synonyms: 2- chloro- 7- (4- methylphenyl)- 10- (methylsulfanyl)- 6- phenyl- 7,11- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: CSc1nn2c(=NC3=C(C2c2ccc(cc2)C)C(Oc2c3cc(Cl)cc2)c2ccccc2)[nH]1

STK579365
Synonyms: 12- (4- methoxyphenyl)- 3,3- dimethyl- 2,3,4,12- tetrahydrobenzimidazo[2,1- b]quinazolin- 1- ol
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1c1ccccc1n2)(C)C

STK579366
Synonyms: 1- (4- chlorophenyl)- 4- (3,4,5- trimethoxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1c(OC)cc(cc1OC)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(cc1)Cl

STK579367
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (naphthalen- 2- yl)ethanone
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)c1ccc2c(c1)cccc2

STK579369
Synonyms: (1'R,2'R)- 1'- [(4- fluorophenyl)carbonyl]- 2'- (pyridin- 3- yl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1cccnc1)C(=O)c1c(C2=O)cccc1

STK579370
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- fluorophenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccccc1F

STK579371
Synonyms: 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1- (4- propoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCCOc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK579372
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- [3- (prop- 2- en- 1- yloxy)phenyl]- 1- (1,3- thiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nccs1

STK579374
Synonyms: N- [(2S)- 1- [(furan- 2- ylmethyl)amino]- 4- (methylsulfanyl)- 1- oxobutan- 2- yl]- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: CSCC[C@@H](C(=O)NCc1ccco1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK579375
Synonyms: N- (2- tert- butylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1COc1ccccc1

STK579378
Synonyms: 1- amino- N- (4- methoxyphenyl)- 8,8- dimethyl- 5- (pyrrolidin- 1- 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)N1CCCC1

STK579380
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(COc2ccccc2)nnc1SCc1c(Cl)cccc1Cl

STK579383
Synonyms: 5,7- dichloro- 1- (4- methoxyphenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c(Cl)cc(c1)Cl

STK579385
Synonyms: N- (2- ethylphenyl)- 2- {[4- (4- methylphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK579386
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1COc1ccccc1

STK579388
Synonyms: N- {[(2Z)- 4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2(3H)- ylidene]carbamothioyl}- 4- (propan- 2- yl)benzamide
Smiles: COc1ccc(cc1OC)c1cs/c(=N\C(=S)NC(=O)c2ccc(cc2)C(C)C)/[nH]1

STK579390
Synonyms: 1- tert- butyl4- (4- methyl- 6- oxo- 6H- benzo[c]chromen- 3- yl)piperidine- 1,4- dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1ccc2c(c1C)oc(=O)c1c2cccc1

STK579392
Synonyms: {[(4- fluorobenzyl)sulfanyl][(4- fluorophenyl)amino]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1)F)SCc1ccc(cc1)F)C#N

STK579394
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[5- (2- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1Cc1ccco1)c1ccccc1Cl

STK579395
Synonyms: 3- [(3a'S,6a'R)- 5- bromo- 5'- (butan- 2- yl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(Br)cc2)C

STK579397
Synonyms: 1- (4- ethoxyphenyl)- 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 7- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)OC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK579400
Synonyms: 5,6- dimethyl- 7- (pyridin- 3- yl)- N- (1,3- thiazol- 2- yl)- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: Cc1c(C)n(c2c1c(ncn2)Nc1nccs1)c1cccnc1

STK579401
Synonyms: 1- (2- methylphenyl)- 6- (1- phenylethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CC(N1CNc2c(C1)c(=O)nc(n2c1ccccc1C)S)c1ccccc1

STK579403
Synonyms: N- (furan- 2- ylmethyl)- 2- (10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidin- 7- ylsulfanyl)acetamide
Smiles: O=C(CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3)NCc1ccco1

STK579404
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 6- (3- chloro- 4- fluorophenyl)- 3- [4- (prop- 2- en- 1- yloxy)phenyl]- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: C=CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)F

STK579405
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 1- (2- fluorophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1ccccc1C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK579406
Synonyms: N- [(tetrahydrofuran- 2- ylmethyl)carbamoyl]- D- leucine
Smiles: CC(C[C@H](C(=O)O)NC(=O)NCC1CCCO1)C

STK579407
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- fluorophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1COc1ccc(cc1)Cl

STK579408
Synonyms: 5- {4- [(4- chlorobenzyl)oxy]phenyl}- N'- [(E)- (4- ethoxyphenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1ccc(cc1)OCc1ccc(cc1)Cl

STK579409
Synonyms: 3- benzyl- 6'- hydroxy- 3'- phenyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: O=C1N=C(O)C2(C(=O)N1c1ccccc1)Cc1ccccc1N1C2CN(CC1)Cc1ccccc1

STK579411
Synonyms: 2- nitro- 6- [(E)- {[2- (pyrrolidinium- 1- yl)phenyl]imino}methyl]phenolate
Smiles: [O-][N+](=O)c1cccc(c1[O-])/C=N/c1ccccc1[NH+]1CCCC1

STK579412
Synonyms: methyl[2,4- dioxo- 3- (2- phenylethyl)- 3,4,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 1(5H)- yl]acetate
Smiles: COC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)CCc1ccccc1)CCCCC3

STK579414
Synonyms: methyl4- (2- chlorophenyl)- 5- cyano- 6- ({2- [(3,5- dichlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 2- hydroxy- 3,4- dihydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1cc(Cl)cc(c1)Cl)O

STK579415
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK579416
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- fluorophenyl)carbonyl]- 2'- {[3- (prop- 2- en- 1- yloxy)phenyl]carbonyl}- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: C=CCOc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)F)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK579417
Synonyms: (1Z)- 4,4,6,8- tetramethyl- 1- (4- oxo- 2- sulfanyl- 1,3- thiazol- 5(4H)- ylidene)- 6- phenyl- 5,6- dihydro- 4H- pyrrolo[3,2,1- ij]quinolin- 2(1H)- one
Smiles: SC1=NC(=O)/C(=C/2\c3cc(C)cc4c3N(C2=O)C(C)(C)CC4(C)c2ccccc2)/S1

STK579418
Synonyms: 2- (3- benzyl- 2,4- dioxo- 3,4,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 1(5H)- yl)acetamide
Smiles: NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)Cc1ccccc1)CCCCC3

STK579419
Synonyms: 8,8- dimethyl- 3- [(2- oxo- 2- phenylethyl)sulfanyl]- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridine- 6- carbonitrile
Smiles: N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccccc1)c(SCC(=O)c1ccccc1)nn2

STK579420
Synonyms: 6'- amino- 3'- ethyl- 1- (3- methoxybenzyl)- 2- oxo- 1,2- dihydro- 1'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: COc1cccc(c1)CN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c(CC)n[nH]1)C#N

STK579422
Synonyms: N- cyclopentyl- 2- (10- methoxy- 6- oxo- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 7(6H)- yl)acetamide
Smiles: COc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2CC(=O)NC1CCCC1

STK579423
Synonyms: N- (4- fluorophenyl)- 4- [(4- oxoquinazolin- 3(4H)- yl)methyl]cyclohexanecarboxamide
Smiles: Fc1ccc(cc1)NC(=O)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK579424
Synonyms: 11- methyl- 7- [(2- phenylethyl)sulfanyl]- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c2ncnn2c2n1c(SCCc1ccccc1)nn2

STK579425
Synonyms: 5- (2- methoxyphenyl)- 4- ({(E)- [4- (propan- 2- yl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)C

STK579427
Synonyms: N- (furan- 2- ylmethyl)- 2- methyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]propanamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C(C)C)Cc1ccco1

STK579428
Synonyms: 4- [(4- chlorobenzyl)oxy]- N- [(4Z)- 2- (3- methylphenyl)quinazolin- 4(3H)- ylidene]aniline
Smiles: Clc1ccc(cc1)COc1ccc(cc1)/N=c/1\[nH]c(nc2c1cccc2)c1cccc(c1)C

STK579430
Synonyms: 8- (2- methoxyphenyl)- 1- methyl- 3- (3- methylbenzyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)C

STK579431
Synonyms: 2- (3- tert- butyl- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)- N- cyclopropylacetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)NC1CC1

STK579432
Synonyms: N- [3- (3,4- dichlorophenyl)- 1- methyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1c(c2ccc(c(c2)Cl)Cl)c(=O)c2c(n1C)cccc2

STK579433
Synonyms: 1- [8- methyl- 10- phenyl- 2- (pyridin- 3- yl)- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccccc1)c1nc(nn1cn2)c1cccnc1

STK579434
Synonyms: 5- cyclohexyl- 4- {[(E)- (2,4,6- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(OC)cc(c1/C=N/n1c(=S)[nH]nc1C1CCCCC1)OC

STK579435
Synonyms: 3- (4- chlorophenyl)- 4- (4- nitrophenyl)- 2,4,5,7- tetrahydro- 6H- pyrazolo[3,4- b]pyridin- 6- one
Smiles: O=C1Nc2n[nH]c(c2C(C1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Cl

STK579436
Synonyms: N- (2,4- difluorophenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nnc1c1ccccc1F

STK579437
Synonyms: 7- (2- methoxyethyl)- 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COCCn1c(CN2CCN(CC2)c2ccc(cc2)OC)nc2c1c(=O)n(c(=O)n2C)C

STK579441
Synonyms: 6- (3- chlorobenzyl)- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 5(6H)- one
Smiles: Clc1cccc(c1)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2

STK579442
Synonyms: 8- (4- bromophenyl)- 4- hydroxy- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Brc1ccc(cc1)n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK579443
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(3- nitrophenyl)carbonyl]- 2'- (phenylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3)c1cccc(c1)[N+](=O)[O-]

STK579445
Synonyms: 6- iodo- 3- (4- methoxyphenyl)- 2- [(E)- 2- (pyridin- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(/C=C/c2ccccn2)nc2c(c1=O)cc(cc2)I

STK579446
Synonyms: 6- chloro- 2- [(3- methoxybenzyl)amino]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: COc1cccc(c1)CNc1nn2c(n1)nc(c(c2O)Cl)C

STK579449
Synonyms: 3- (4- fluorophenyl)- 2',6'- dihydroxy- 8- nitro- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1ccc(cc1)F)[N+](=O)[O-]

STK579451
Synonyms: N- (4- {[(3Z)- 1- butyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]sulfamoyl}phenyl)acetamide
Smiles: CCCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NC(=O)C)/c2c1nc1c(C)cccc1c2

STK579452
Synonyms: 4- {[(E)- (3- fluorophenyl)methylidene]amino}- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccc(c1)F

STK579455
Synonyms: [4- (2- fluorophenyl)piperazin- 1- yl](4,5,6,7- tetrahydro- 2H- indazol- 3- yl)methanone
Smiles: O=C(c1[nH]nc2c1CCCC2)N1CCN(CC1)c1ccccc1F

STK579456
Synonyms: 5- (3- tert- butyl- 1H- pyrazol- 5- yl)- 4- [2- (trifluoromethyl)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccccc1C(F)(F)F)c1[nH]nc(c1)C(C)(C)C

STK579459
Synonyms: 6- butyl- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: CCCCc1c(C)nc2n(c1O)ncn2

STK579460
Synonyms: 4- (3- methoxyphenyl)- 1- (4- methylphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1cccc(c1)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(cc1)C

STK579461
Synonyms: N- [(2Z)- 3- (2,3- dichlorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1c1cccc(c1Cl)Cl)CS(=O)(=O)C2

STK579462
Synonyms: 1'- (3- chlorophenyl)- 4- methyl- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: Clc1cccc(c1)N1C(=O)NC(=O)C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1

STK579464
Synonyms: 5- [(2E)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]- 2,6- dihydroxy- 3- (prop- 2- en- 1- yl)pyrimidin- 4(3H)- one
Smiles: C=CCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc2c(c1)OCO2)O

STK579465
Synonyms: (4- methylphenyl)(7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)methanone
Smiles: Cc1ccc(cc1)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK579466
Synonyms: 3- (2- chlorobenzyl)- 8- (4- ethoxyphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1Cl

STK579469
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[5- (2- fluorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK579470
Synonyms: 4- [(2E)- 2- {[1- (propan- 2- yl)- 1H- indol- 3- yl]methylidene}hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1cn(c2c1cccc2)C(C)C

STK579471
Synonyms: N- [(2Z)- 3- (3- acetylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methylpropanamide
Smiles: O=C(C(C)C)/N=C/1\SC2C(N1c1cccc(c1)C(=O)C)CS(=O)(=O)C2

STK579472
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- [3- ethoxy- 4- (pentyloxy)phenyl]- 1- {5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2

STK579473
Synonyms: 3- (3- chlorobenzyl)- 1,6,7,8- tetramethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Clc1cccc(c1)Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)C

STK579474
Synonyms: methyl4- {[(3Z)- 6- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]amino}- 4- oxobutanoate
Smiles: CCCn1[nH]/c(=N\C(=O)CCC(=O)OC)/c2c1nc1ccc(cc1c2)C

STK579475
Synonyms: N- [(2E)- 4- tert- butyl- 1,3- thiazol- 2(3H)- ylidene]- 2- {[5- (2- methylfuran- 3- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetamide
Smiles: O=C(/N=c\1/scc([nH]1)C(C)(C)C)CSc1nnc(o1)c1ccoc1C

STK579476
Synonyms: 7'- {(E)- [4- hydroxy- 1- (3- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trion
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK579477
Synonyms: 8- (4- benzylpiperazin- 1- yl)- 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccccc1

STK579482
Synonyms: N- [3- (naphthalen- 1- yl)- 4- oxo- 4H- chromen- 2- yl]thiophene- 2- carboxamide
Smiles: O=C(c1cccs1)Nc1oc2ccccc2c(=O)c1c1cccc2c1cccc2

STK579483
Synonyms: N- (2- chloro- 5- nitrophenyl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)acetamide
Smiles: COc1cc2CCN(Cc2cc1OC)CC(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]

STK579484
Synonyms: 4- {[(E)- (2- fluorophenyl)methylidene]amino}- 5- (3- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1F

STK579486
Synonyms: 5- (4- chlorophenyl)- 10- (3- hydroxyphenyl)- 1,3- dimethyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1cccc(c1)O

STK579487
Synonyms: 1- {[5- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 3,3- dimethylbutan- 2- one
Smiles: COc1ccc(cc1)n1c(nnc1c1cccc(c1)OC)SCC(=O)C(C)(C)C

STK579488
Synonyms: 1- (2,3- dimethylphenyl)- 2- sulfanyl- 6- (tetrahydrofuran- 2- ylmethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: O=c1nc(S)n(c2c1CN(CN2)CC1CCCO1)c1cccc(c1C)C

STK579489
Synonyms: (4Z)- 4- [({4- [(difluoromethyl)sulfanyl]phenyl}amino)methylidene]- 2- (2,4- dimethylphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: FC(Sc1ccc(cc1)N/C=C\1/c2ccccc2C(=O)N(C1=O)c1ccc(cc1C)C)F

STK579490
Synonyms: (3a'S,6a'R)- 5- bromo- 5'- (3- methoxypropyl)- 3'- [2- (methylsulfanyl)ethyl]- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCSC)C(=O)Nc2c1cc(Br)cc2

STK579492
Synonyms: N- (2- fluorophenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK579493
Synonyms: (2S)- N- (1,3- benzodioxol- 5- yl)- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)propanamide
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)Nc1ccc2c(c1)OCO2

STK579494
Synonyms: 8- {(2E)- 2- [1- (4- bromophenyl)ethylidene]hydrazinyl}- 6- hydroxy- 7- (2- hydroxy- 3- phenoxypropyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(N/N=C(/c2ccc(cc2)Br)\C)nc2c1c(O)nc(=O)n2C)COc1ccccc1

STK579496
Synonyms: 8- {[bis(2- methoxyethyl)ammonio]methyl}- 3- (3,4- dimethoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(c(c1)OC)OC)C(F)(F)F)CCOC

STK579498
Synonyms: methylN- (dicyclohexylcarbamoyl)- L- leucinate
Smiles: COC(=O)[C@@H](NC(=O)N(C1CCCCC1)C1CCCCC1)CC(C)C

STK579499
Synonyms: 2- (2- fluorophenoxy)- N- [3- (4- methylphenyl)- 1,2- oxazol- 5- yl]butanamide
Smiles: CCC(C(=O)Nc1onc(c1)c1ccc(cc1)C)Oc1ccccc1F

STK579500
Synonyms: 6- hydroxy- 3- methyl- 8- (3- methylpiperidin- 1- yl)- 7- [2- (pyrimidin- 2- ylsulfanyl)ethyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC1CCCN(C1)c1nc2c(n1CCSc1ncccn1)c(O)nc(=O)n2C

STK579501
Synonyms: 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- ethylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)CC)nnc1COc1ccc(cc1)C

STK579502
Synonyms: 10- (2- hydroxy- 4- methylphenyl)- 1,3- dimethyl- 5- phenyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Cc1ccc(c(c1)O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK579504
Synonyms: 3- (4- fluorophenyl)- 8- nitro- 1',3'- dipropyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: CCCN1C(=O)N(CCC)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ccc(cc1)F)[N+](=O)[O-]

STK579505
Synonyms: 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nnc1c1ccccc1F

STK579506
Synonyms: methylN- [(2- methylphenyl)carbamoyl]- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccccc1C

STK579507
Synonyms: 6,7- dimethoxy- 2- [(3- nitrophenyl)sulfonyl]- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]

STK579511
Synonyms: 2- (4- ethylphenoxy)- N- [(2E)- 5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: CCc1ccc(cc1)OCC(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)F

STK579512
Synonyms: (3a'S,6a'R)- 5- bromo- 5'- (2- methoxyethyl)- 3'- methyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C)C(=O)Nc2c1cc(Br)cc2

STK579513
Synonyms: N- (biphenyl- 2- yl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1c1ccccc1)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK579514
Synonyms: 2- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 1- (4- fluorophenyl)- 7- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)F)c(=O)c1c(o2)ccc(c1)C

STK579516
Synonyms: 1'- butyl- 6- hydroxy- 3- (4- methoxyphenyl)- 6'- nitro- 2'- propyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCCC1N(CCCC)c2ccc(cc2CC21C(=NC(=O)N(C2=O)c1ccc(cc1)OC)O)[N+](=O)[O-]

STK579517
Synonyms: 2,9- dibenzyl- 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)Cc1ccccc1

STK579518
Synonyms: (4E)- 5- [4- (benzyloxy)- 3- ethoxyphenyl]- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK579519
Synonyms: 3- benzyl- 1',3'- dimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1ccccc1N1C2CN(CC1)Cc1ccccc1

STK579520
Synonyms: (4Z)- 4- {2- [4- methoxy- 3- (morpholin- 4- ylmethyl)phenyl]- 4H- chromen- 4- ylidene}- 2- phenyl- 1,3- oxazol- 5(4H)- one
Smiles: COc1ccc(cc1CN1CCOCC1)C1=C/C(=C\2/N=C(OC2=O)c2ccccc2)/c2c(O1)cccc2

STK579521
Synonyms: N- [(2Z)- 5- [(4- chlorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=c\1/[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)Cl

STK579522
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanamide
Smiles: CCC(n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc(c(c1)Cl)F

STK579523
Synonyms: N- (3- bromophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK579524
Synonyms: 4- chloro- N- (3,4- dihydro- 1H- [1,4]oxazino[4,3- a]benzimidazol- 8- yl)- N- methylbenzamide
Smiles: Clc1ccc(cc1)C(=O)N(c1ccc2c(c1)nc1n2CCOC1)C

STK579526
Synonyms: 14- [4- (dimethylamino)phenyl]- 3,3- dimethyl- 2,3,4,6,7,14- hexahydro- 1H- [1,3]dioxolo[6,7]isoquino[2,1- a]quinolin- 1- one
Smiles: O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1OCOc1c2)c1ccc(cc1)N(C)C

STK579527
Synonyms: 10,10- dimethyl- 2- [4- (propan- 2- yloxy)phenyl]- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC(Oc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2)C

STK579530
Synonyms: N'- {(1E)- 1- [4- hydroxy- 1- (2- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}benzohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NNC(=O)c1ccccc1

STK579531
Synonyms: 2- {(E)- [(2E)- (4,6- dimethylpyrimidin- 2(1H)- ylidene)hydrazinylidene]methyl}- 3- hydroxy- 5- phenylcyclohex- 2- en- 1- one
Smiles: Cc1cc(C)[nH]/c(=N\N=C\C2=C(O)CC(CC2=O)c2ccccc2)/n1

STK579532
Synonyms: (5E)- 5- (1- {[4- (diethylamino)phenyl]amino}ethylidene)- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCN(c1ccc(cc1)N/C(=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/C)CC

STK579533
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (4- ethylphenyl)- 1- (6- methyl- 1,3- benzothiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: CCc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK579534
Synonyms: (4Z)- 4- [(2,5- dimethoxyphenyl)imino]- 6- (3- methyl- 1- benzofuran- 2- yl)- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccc(c(c1)/N=c/1\nc(N)nc([nH]1)c1oc2c(c1C)cccc2)OC

STK579535
Synonyms: 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1c1ccccc1)c1ccccn1

STK579537
Synonyms: 1',3,3',12- tetramethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H,7H- spiro[pyrido[1',2':1,2]pyrimido[5,4- c]quinolizine- 5,5'- pyrimidine]- 2',4',6',7(1'H,3'H)- tetrone
Smiles: CC1CCN2C(C1)C1(Cc3c2nc2c(C)cccn2c3=O)C(=O)N(C)C(=O)N(C1=O)C

STK579539
Synonyms: 2- cyano- N- cyclopropyl- 2- [3- (pyrrolidin- 1- yl)quinoxalin- 2- yl]acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCCC1)C(=O)NC1CC1

STK579540
Synonyms: N- (4- butylphenyl)- 2- {[5- (3- methylphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C

STK579541
Synonyms: (5Z)- 3- (4- fluorobenzyl)- 6- hydroxy- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C/NN2CCCCC2c2cccnc2)/C1=O)O

STK579542
Synonyms: (4E)- 1- (5- acetyl- 4- methyl- 1,3- thiazol- 2- yl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (3- ethoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK579545
Synonyms: 1- {1- [6- (4- ethylpiperazin- 1- yl)- 2- phenylpyrimidin- 4- yl]- 5- methyl- 1H- pyrazol- 4- yl}ethanone
Smiles: CCN1CCN(CC1)c1nc(nc(c1)n1ncc(c1C)C(=O)C)c1ccccc1

STK579546
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK579547
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- furan- 2- ylmethylidene]- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccco1

STK579548
Synonyms: 4- (4- ethylpiperazin- 1- yl)- 2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK579549
Synonyms: 4,5- dimethoxy- N'- [(E)- (4- methoxyphenyl)methylidene]- 1H- indole- 2- carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)ccc(c2OC)OC

STK579550
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,4,6- trimethylphenyl)acetamide
Smiles: Cc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1c(C)cc(cc1C)C

STK579554
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(4- chlorophenyl)carbonyl]- 3'- [(2,4- dichlorophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2Cl)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK579555
Synonyms: 4- [(5Z)- 5- (2- chlorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N'- [(4- methylphenyl)sulfonyl]butanehydrazide
Smiles: O=C(NNS(=O)(=O)c1ccc(cc1)C)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

STK579556
Synonyms: 4- {[(1E,2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK579557
Synonyms: 2- (ethylsulfanyl)- 9- (4- methylphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccc(cc1)C

STK579558
Synonyms: 5- (2- fluorophenyl)- 4- {[(E)- naphthalen- 1- ylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccc2c1cccc2

STK579559
Synonyms: N- (furan- 2- ylmethyl)- 2- [(7- methyl- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 9- yl)oxy]acetamide
Smiles: O=C(NCc1ccco1)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK579561
Synonyms: (1'S,3R,3'S,7a'S)- 5''- fluoro- 1'- (phenylcarbonyl)- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Fc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1

STK579562
Synonyms: 4- (3- chloro- 4- fluorophenyl)- 5- (4- methoxybenzyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)Cc1n[nH]c(=S)n1c1ccc(c(c1)Cl)F

STK579563
Synonyms: N- (2- bromo- 4- methylphenyl)- 2- {[4- ethyl- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1CC)SCC(=O)Nc1ccc(cc1Br)C

STK579564
Synonyms: 11- chloro- 3- (2,4,6- trimethylphenyl)- 3,4,8,9- tetrahydro- 2H- cyclopenta[3,4]chromeno[8,7- e][1,3]oxazin- 6(7H)- one
Smiles: Cc1cc(C)c(c(c1)C)N1COc2c(C1)c1oc(=O)c3c(c1cc2Cl)CCC3

STK579565
Synonyms: 2- methoxy- 6- {4- [4- (propan- 2- yloxy)phenoxy]quinazolin- 2- yl}phenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2)OC(C)C)c2c(n1)cccc2

STK579566
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1N)c1n[nH]c(c1)C

STK579568
Synonyms: (2Z)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- N- (4- methylphenyl)ethanamide
Smiles: COc1cc2/C(=C/C(=O)Nc3ccc(cc3)C)/NCCc2cc1OC

STK579573
Synonyms: 5- (3- chlorophenyl)- 4- {[(1E,2E)- 3- (2- methoxyphenyl)prop- 2- en- 1- ylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1/C=C/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK579574
Synonyms: 6- amino- 5- (1,3- benzothiazol- 2- ylsulfanyl)- 4- hydroxy- 1- methylpyrimidin- 2(1H)- one
Smiles: Cn1c(=O)nc(c(c1N)Sc1nc2c(s1)cccc2)O

STK579575
Synonyms: (2E)- 2- {(2Z)- [1- (biphenyl- 4- yl)ethylidene]hydrazinylidene}- 4- (4- chlorophenyl)- 2,3- dihydro- 1,3- thiazole
Smiles: Clc1ccc(cc1)c1cs/c(=N/N=C(\c2ccc(cc2)c2ccccc2)/C)/[nH]1

STK579576
Synonyms: 3- (furan- 2- ylmethyl)- 1- [2- (piperidin- 1- yl)ethyl]- 1,5,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: O=c1c2c3CCCCCc3sc2n(c(=O)n1Cc1ccco1)CCN1CCCCC1

STK579577
Synonyms: N- [3- (3,4- dichlorophenyl)- 1- methyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]furan- 2- carboxamide
Smiles: O=C(c1ccco1)Nc1c(c2ccc(c(c2)Cl)Cl)c(=O)c2c(n1C)cccc2

STK579583
Synonyms: (5E)- 1- butyl- 5- ({[2- (diethylamino)ethyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCCCN1C(=NC(=O)/C(=C\NCCN(CC)CC)/C1=O)S

STK579584
Synonyms: 5- {2- [(4- chlorobenzyl)oxy]phenyl}- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}- 1H- pyrazole- 3- carbohydrazide
Smiles: Clc1ccc(cc1)COc1ccccc1c1[nH]nc(c1)C(=O)N/N=C/c1ccc(cc1)N(C)C

STK579586
Synonyms: (2E)- N- [(2E)- 5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (furan- 2- yl)prop- 2- enamide
Smiles: Fc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N\C(=O)/C=C/c2ccco2)/s1

STK579587
Synonyms: (4E)- 1- butyl- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 5- (3,4- dimethoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(c(c1)OC)OC

STK579588
Synonyms: (3a'S,6a'R)- 5'- (3,4- dimethylphenyl)- 3'- (1H- indol- 3- ylmethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: O=C1N(c2ccc(c(c2)C)C)C(=O)[C@@H]2[C@H]1C(Cc1c[nH]c3c1cccc3)NC12C(=O)Nc2c1cccc2

STK579592
Synonyms: N- [5- chloro- 2- (1H- 1,2,4- triazol- 1- yl)phenyl]- 2- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)acetamide
Smiles: COc1cc2CCN(C(c2cc1OC)C)CC(=O)Nc1cc(Cl)ccc1n1ncnc1

STK579593
Synonyms: 2- methoxy- 4- [(E)- {[3- (pyridin- 2- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]phenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK579595
Synonyms: N- (furan- 2- ylmethyl)- 6- methoxy- N- (tetrahydrofuran- 2- ylmethyl)- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N(Cc1ccco1)CC1CCCO1

STK579597
Synonyms: 2- {[8,8- dimethyl- 11- (morpholin- 4- yl)- 7,10- dihydro- 8H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK579598
Synonyms: 4- [(2E)- 2- (2,3- dimethoxybenzylidene)hydrazinyl]- 5- (4- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1N/N=C/c1cccc(c1OC)OC

STK579599
Synonyms: 2- [5- (benzylsulfanyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]pyrazine
Smiles: c1ccc(cc1)n1c(nnc1c1cnccn1)SCc1ccccc1

STK579600
Synonyms: (5Z)- 5- [5- (3,4- dimethoxyphenyl)- 1- phenylpyrazolidin- 3- ylidene]- 6- hydroxy- 3- (prop- 2- en- 1- yl)pyrimidine- 2,4(3H,5H)- dione
Smiles: C=CCN1C(=O)N=C(/C(=C/2\CC(N(N2)c2ccccc2)c2ccc(c(c2)OC)OC)/C1=O)O

STK579602
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (furan- 2- ylmethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Clc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK579603
Synonyms: (4E)- 1- (5- acetyl- 4- methyl- 1,3- thiazol- 2- yl)- 5- (3- butoxyphenyl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK579604
Synonyms: 1- (2,4- dimethylphenyl)- 3- (4- hydroxy- 6- methylpyrimidin- 2- yl)guanidine
Smiles: N=C(Nc1ccc(cc1C)C)Nc1nc(C)cc(n1)O

STK579606
Synonyms: 5- [3- (benzyloxy)phenyl]- N'- [(E)- (2,6- dichlorophenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1)N/N=C/c1c(Cl)cccc1Cl

STK579607
Synonyms: 7- [(2Z)- 3- chlorobut- 2- en- 1- yl]- 8- (4- ethylpiperazin- 1- yl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN1CCN(CC1)c1nc2c(n1C/C=C(\Cl)/C)c(=O)n(c(=O)n2C)C

STK579608
Synonyms: 2- ({5- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK579609
Synonyms: 6- chloro- 4- {[4- (3- chlorophenyl)piperazin- 1- ium- 1- yl]methyl}- 2- oxo- 2H- chromen- 7- olate
Smiles: Clc1cccc(c1)N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)[O-]

STK579610
Synonyms: N- (3- bromophenyl)- 2- {[4- (4- chlorophenyl)- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cccc(c1)Br

STK579611
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[4- (4- chlorophenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C)C

STK579613
Synonyms: N- (2,3- dimethylphenyl)- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)C

STK579614
Synonyms: 3- [10- (4- hydroxyphenyl)- 2,6,8- trioxo- 3,4a,5,5a,6,8,8a,9,9a,10- decahydro- 5,9- methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3- f]isoindol- 7(2H)- yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)O)sc(=O)[nH]1

STK579615
Synonyms: (4E)- 5- (4- tert- butylphenyl)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 1- (furan- 2- ylmethyl)pyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccco1)/O

STK579616
Synonyms: 2- [(3a'S,6a'R)- 5'- benzyl- 5- chloro- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cc(Cl)cc1

STK579617
Synonyms: N- [5- hydroxy- 2- (3- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]hexanamide
Smiles: CCCCCC(=O)Nc1cc(O)nc2n1nc(n2)c1cccc(c1)C

STK579618
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- [(3- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK579619
Synonyms: 1- (4- ethylphenyl)- 4- (4- methylphenyl)- N- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1)cc3c1ccc(cc1)C

STK579620
Synonyms: 8- (4- methylpiperazin- 1- yl)- 5- (2- methylpropyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinoline
Smiles: CC(Cc1nc2oc3c(c2c2c1CCCC2)ncnc3N1CCN(CC1)C)C

STK579621
Synonyms: 3- [(3- fluorobenzyl)sulfanyl]- 5- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(nnc1SCc1cccc(c1)F)COc1ccc(cc1)C

STK579622
Synonyms: N- (4- bromophenyl)- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1C)c1cccc(c1)Cl

STK579624
Synonyms: 8- [(3,5- dimethylpiperidin- 1- yl)methyl]- 1,3- dimethyl- 7- (2- oxopropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CN(CC(C1)C)Cc1nc2c(n1CC(=O)C)c(=O)n(c(=O)n2C)C

STK579625
Synonyms: 10- fluoro- 1',3,3'- trimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: CN1CCN2C(C1)C1(Cc3c2c(F)ccc3)C(=O)N(C)C(=O)N(C1=O)C

STK579626
Synonyms: N- [(2- methylphenyl)carbamoyl]- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1ccccc1C)C

STK579629
Synonyms: N- [(2,4- dimethylphenyl)carbamoyl]- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1C)C

STK579631
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,5- dimethylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1COc1ccc(cc1)Cl

STK579633
Synonyms: (4E)- 2- (2,4- dimethoxyphenyl)- 4- {[(3- methylbutyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(c(c1)OC)N1C(=O)/C(=C/NCCC(C)C)/c2c(C1=O)cccc2

STK579635
Synonyms: (3R)- 2,2- dimethyl- 5- oxo- N- {(2S)- 1- oxo- 1- [(2- phenylethyl)amino]propan- 2- yl}- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C([C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C)NCCc1ccccc1

STK579636
Synonyms: 2- (benzylsulfanyl)- 5- hydroxy- 4- (thiophen- 2- yl)- 4,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)N=C2C(=C(O)CCC2)C1c1cccs1

STK579637
Synonyms: (4E)- 5- (4- bromophenyl)- 4- [hydroxy(phenyl)methylidene]- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)C(F)(F)F

STK579639
Synonyms: 1- (3,4- dichlorophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nnc1c1nccnc1

STK579641
Synonyms: 8- (4- bromophenyl)- 4- hydroxy- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Brc1ccc(cc1)n1c(C)c(n2c1nc1c2c(O)nc(=O)n1C)C

STK579646
Synonyms: 7- (butan- 2- ylsulfanyl)- 3- (4- chlorophenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidine
Smiles: CCC(Sc1cc(C)nc2n1nc(c2c1ccc(cc1)Cl)C)C

STK579647
Synonyms: 3- (2- phenylethyl)- 2- (piperazin- 1- yl)- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: O=c1n(CCc2ccccc2)c(nc2c1c1CCCCCc1s2)N1CCNCC1

STK579648
Synonyms: N- [(2Z)- 5,5- dioxido- 3- [4- (trifluoromethoxy)phenyl]tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 3- methylbutanamide
Smiles: CC(CC(=O)/N=C/1\SC2C(N1c1ccc(cc1)OC(F)(F)F)CS(=O)(=O)C2)C

STK579649
Synonyms: 8- fluoro- 5- methyl- 3- [2- (morpholin- 4- yl)ethyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Fc1ccc2c(c1)c1ncn(c(=O)c1n2C)CCN1CCOCC1

STK579650
Synonyms: 2- (3- tert- butyl- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)- N- [3- (propan- 2- yloxy)propyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)NCCCOC(C)C

STK579651
Synonyms: 4- {[(E)- (3- methoxyphenyl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

STK579652
Synonyms: 4- hydroxy- 1- methyl- 8- phenyl- 7,8- dihydro- 1H- imidazo[2,1- f]purin- 2(6H)- one
Smiles: Oc1nc(=O)n(c2c1n1CCN(c1n2)c1ccccc1)C

STK579653
Synonyms: 2- [5,7- bis(4- methoxyphenyl)- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc(cc1)C1CC(Nc2n1nc(n2)N1C(=O)c2c(C1=O)cccc2)c1ccc(cc1)OC

STK579657
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1C)c1cccc(c1)Cl

STK579659
Synonyms: 3- [(3R,3'S,3a'S,6a'R)- 6- chloro- 5'- (3- chlorophenyl)- 7- methyl- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: NC(=O)CC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)Cl)C(=O)Nc1c2ccc(c1C)Cl

STK579661
Synonyms: (3a'S,6a'R)- 5- bromo- 3'- (2- methylpropyl)- 5'- (2- phenylethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CC(CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(Br)cc1)C

STK579662
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- {[5- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1c1cccc(c1)OC

STK579663
Synonyms: ethyl4- [3- (3- hydroxypropyl)- 1- methyl- 2,4- dioxo- 1,2,3,4,6,7- hexahydro- 8H- imidazo[2,1- f]purin- 8- yl]benzoate
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1)C(=O)OCC

STK579664
Synonyms: 5- (2- chlorophenyl)- 4- {[(E)- (4- ethylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK579666
Synonyms: 4- ({N- [(4,11- dimethyl- 2- oxo- 6,7,8,9- tetrahydro- 2H- [1]benzofuro[3,2- g]chromen- 3- yl)acetyl]- D- phenylalanyl}amino)butanoicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)N[C@@H](C(=O)NCCCC(=O)O)Cc1ccccc1

STK579668
Synonyms: N- (1,3- dimethyl- 2,4,6- trioxo- 1,1',2',3,3',3a',4,6- octahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinolin]- 7'- yl)benzamide
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CCC1)NC(=O)c1ccccc1

STK579669
Synonyms: 4- hydroxy- 6- methyl- 5- (naphthalen- 1- ylmethyl)- 2- phenyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: Cc1nc2[nH]n(c(=O)c2c(c1Cc1cccc2c1cccc2)O)c1ccccc1

STK579671
Synonyms: 2- bromo- N'- {3- [(5Z)- 5- (4- methylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}benzohydrazide
Smiles: O=C(NNC(=O)c1ccccc1Br)CCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

STK579673
Synonyms: 1- ethyl- 4- (4- ethylpiperazin- 1- yl)- 3- nitroquinolin- 2(1H)- one
Smiles: CCN1CCN(CC1)c1c2ccccc2n(c(=O)c1[N+](=O)[O-])CC

STK579674
Synonyms: 2- [4- (difluoromethoxy)- 3- methoxyphenyl]- 4- imino- 6,7,11,12- tetrahydro- 4H,10H- [1,4]dioxepino[2,3- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCCCOc2c1)c1ccc(c(c1)OC)OC(F)F

STK579675
Synonyms: 4- chloro- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1cccnc1

STK579676
Synonyms: 2- chloro- N- [3- (2- fluorophenyl)- 1- methyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]benzamide
Smiles: Clc1ccccc1C(=O)Nc1c(c2ccccc2F)c(=O)c2c(n1C)cccc2

STK579678
Synonyms: N- [(2Z)- 3- (3- bromophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclopropanecarboxamide
Smiles: Brc1cccc(c1)N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK579679
Synonyms: 8- [(4- methylpiperidinium- 1- yl)methyl]- 3- (naphthalen- 2- yloxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: CC1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F

STK579680
Synonyms: N- (3- chlorophenyl)- 2- {[2- (3- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nc(SCC(=O)Nc2cccc(c2)Cl)c2c(n1)CC(OC2)(C)C

STK579681
Synonyms: [1- amino- 8,8- dimethyl- 5- (pyrrolidin- 1- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridin- 2- yl](morpholin- 4- yl)methanone
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)N1CCOCC1

STK579682
Synonyms: 2- (3- {(E)- [4- hydroxy- 2,6- dioxo- 1- (thiophen- 2- ylmethyl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1H- indol- 1- yl)- N- (tetrahydrofuran- 2- ylmethyl)acetamide
Smiles: O=C(Cn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1cccs1)O)NCC1CCCO1

STK579685
Synonyms: 3- (3- chlorophenyl)- 7- methyl- 2- (piperazin- 1- yl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)N1CCNCC1)c1cccc(c1)Cl

STK579687
Synonyms: 1- (4- fluorophenyl)- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK579688
Synonyms: 6,9- diphenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccc2)ncn3)CC(C1)c1ccccc1

STK579689
Synonyms: 5- methyl- 7- (4- methylpiperazin- 1- yl)- 3- phenyl- 2- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1)C(F)(F)F

STK579692
Synonyms: 8- (2- methoxyethyl)- 1,7- dimethyl- 3- (3- phenylpropyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCCc1ccccc1

STK579693
Synonyms: 2- hydroxy- 1- (4- methoxyphenyl)- 6- (2- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: COc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK579694
Synonyms: 1- (3- chlorophenyl)- 6- cyclohexyl- 2- hydroxy- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Clc1cccc(c1)n1c(O)nc(=O)c2c1NCN(C2)C1CCCCC1

STK579697
Synonyms: 3- (furan- 2- ylmethyl)- 2- (4- methoxyphenyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COc1ccc(cc1)c1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1

STK579698
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- ethylphenyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK579700
Synonyms: 4- phenyl- 9- (pyridin- 3- ylmethyl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: O=c1cc(c2ccccc2)c2c(o1)c1CN(COc1cc2)Cc1cccnc1

STK579701
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- (2,4- dimethoxyphenyl)- 6- [3- (trifluoromethyl)phenyl]- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK579702
Synonyms: (5Z)- 5- {[1- (4- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

STK579703
Synonyms: 1'- ethyl- 6'- nitro- 2'- phenyl- 1- (propan- 2- yl)- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4,6(1H,3H)- trione
Smiles: CCN1c2ccc(cc2CC2(C1c1ccccc1)C(=O)NC(=O)N(C2=O)C(C)C)[N+](=O)[O-]

STK579704
Synonyms: 3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- propylpropanamide
Smiles: CCCNC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK579705
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(2,4- dichlorophenyl)carbonyl]- 3'- [(3- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1Cl)Cl)C(=O)Nc1c2cccc1)cccc3

STK579706
Synonyms: (6E)- 6- {[6- (4- chlorophenyl)imidazo[2,1- b][1,3]thiazol- 5- yl]methylidene}- 5- imino- 2- (morpholin- 4- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)c1nc2n(c1/C=C\1/C(=O)N=c3n(C1=N)nc(s3)N1CCOCC1)ccs2

STK579708
Synonyms: 7- benzyl- 8- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

STK579711
Synonyms: N- [7- (4- methylphenyl)- 5- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]benzenesulfonamide
Smiles: Cc1ccc(cc1)C1CC(Nc2n1nc(n2)NS(=O)(=O)c1ccccc1)c1ccccc1

STK579712
Synonyms: 3- (decylsulfanyl)- 5- (3,4- dimethoxyphenyl)- 1H- 1,2,4- triazole
Smiles: CCCCCCCCCCSc1n[nH]c(n1)c1ccc(c(c1)OC)OC

STK579714
Synonyms: 4- ({(E)- [3- (benzyloxy)phenyl]methylidene}amino)- 5- (2- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccc(c1)OCc1ccccc1

STK579717
Synonyms: 1- [2- (4- methoxybenzyl)- 8- methyl- 10- phenyl- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)OC(=C(C1c1ccccc1)C(=O)C)C

STK579718
Synonyms: 2- hydroxy- 1- (4- methylphenyl)- 6- (propan- 2- yl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C(C)C

STK579719
Synonyms: N- (4- bromophenyl)- 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK579720
Synonyms: 2- [7- (3- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]phenol
Smiles: Cc1cccc(c1)n1ncc2c1ncn1c2nnc1c1ccccc1O

STK579721
Synonyms: 3,3- dimethyl- 16- phenyl- 2,3,4,6,7,11,12,16- octahydro- 1H,10H- [1,4]dioxepino[2',3':6,7]isoquino[2,1- a]quinolin- 1- one
Smiles: O=C1CC(C)(C)CC2=C1C(C=C1N2CCc2c1cc1OCCCOc1c2)c1ccccc1

STK579722
Synonyms: (2E)- [2- (2- methylquinolin- 4- yl)hydrazinylidene]ethanoicacid
Smiles: OC(=O)/C=N/Nc1cc(C)nc2c1cccc2

STK579724
Synonyms: 9- (3,5- difluorophenyl)- 2- [(4- nitrobenzyl)sulfanyl]- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Fc1cc(cc(c1)F)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccc(cc1)[N+](=O)[O-]

STK579725
Synonyms: N- (2- bromo- 4- methylphenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- phenyl- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: Cc1ccc(cc1)OCc1nnc(n1c1ccccc1)SCC(=O)Nc1ccc(cc1Br)C

STK579726
Synonyms: N- (3- chlorophenyl)- 1- (4- ethoxyphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)Cl)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK579727
Synonyms: (4E)- 5- (2- fluorophenyl)- 1- hexadecyl- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1F

STK579729
Synonyms: 8,13- dioxo- 13,14- dihydro- 8H- naphtho[2,3- a]phenoxazin- 7- yl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK579731
Synonyms: 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)NCCc2ccccc2)c2c(n1)CC(OC2)(C)C

STK579732
Synonyms: N- [(2E)- 3- (3- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 4- phenylbutanamide
Smiles: O=C(/N=C\1/SC2C(N1c1cccc(c1)F)CS(=O)(=O)C2)CCCc1ccccc1

STK579733
Synonyms: 8- (4- ethoxyphenyl)- 1- methyl- 3- (2- methylprop- 2- en- 1- yl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CC(=C)C

STK579734
Synonyms: 3- benzyl- 1'- methyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: O=C1NC(=O)C2(C(=O)N1C)Cc1ccccc1N1C2CN(CC1)Cc1ccccc1

STK579735
Synonyms: (3Z)- 4- imino- 3- (1H- indol- 3- ylmethylidene)- 8- (methylsulfonyl)- 3,4- dihydro- 2H- pyrimido[2,1- b][1,3]benzothiazol- 2- one
Smiles: O=C1N=c2sc3c(n2C(=N)/C/1=C/c1c[nH]c2c1cccc2)ccc(c3)S(=O)(=O)C

STK579736
Synonyms: methyl(1- {7- methyl- 4- oxo- 3- [(Z)- (4- oxo- 3- propyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4H- pyrido[1,2- a]pyrimidin- 2- yl}- 3- oxopiperazin- 2- yl)acetate
Smiles: CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCNC(=O)C2CC(=O)OC)/C1=O

STK579737
Synonyms: 1- (2,5- dimethoxyphenyl)- 7- methyl- 2- (pyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(c(c1)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C)OC

STK579738
Synonyms: N- [4- (acetylamino)phenyl]- 4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexanecarboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK579739
Synonyms: (1S,2S)- N'- {(E)- [3- methoxy- 4- (naphthalen- 1- ylmethoxy)phenyl]methylidene}- 2- phenylcyclopropanecarbohydrazide
Smiles: COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1OCc1cccc2c1cccc2

STK579740
Synonyms: 8- chloro- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl[(tert- butoxycarbonyl)amino](phenyl)acetate
Smiles: O=C(OC(C)(C)C)NC(c1ccccc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3

STK579743
Synonyms: 2- amino- 1- (2,5- dimethylphenyl)- N- heptyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)ccc1C

STK579744
Synonyms: (5E)- 6- hydroxy- 3- phenyl- 5- ({[2- (piperidin- 1- yl)ethyl]amino}methylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C\NCCN2CCCCC2)/C(=O)N1c1ccccc1

STK579745
Synonyms: 5- (2- fluorophenyl)- 4- {[(E)- (4- methoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK579746
Synonyms: N- [(2Z)- 3- (2,4- difluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclopropanecarboxamide
Smiles: Fc1ccc(c(c1)F)N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK579747
Synonyms: (4Z)- 4- [(2- methoxyphenyl)imino]- 6- {[4- (2- methoxyphenyl)piperazin- 1- yl]methyl}- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c\1/[nH]c(CN2CCN(CC2)c2ccccc2OC)nc(n1)N

STK579748
Synonyms: 1- [2- (dimethylamino)ethyl]- 3- (2- phenylethyl)- 1,5,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: CN(CCn1c2sc3c(c2c(=O)n(c1=O)CCc1ccccc1)CCCCC3)C

STK579750
Synonyms: N- (4- ethoxyphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OCC)COc1ccccc1

STK579752
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (naphthalen- 2- yloxy)propyl]- 3- methyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCC1)COc1ccc2c(c1)cccc2

STK579754
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2,4- dimethoxyphenyl)carbonyl]- 2'- [(4- fluorophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(c(c1)OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1)cccc3

STK579756
Synonyms: 3- (3- chlorophenyl)- 4- methyl- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: Clc1cccc(c1)c1nnc(n1C)SC/C=C/c1ccccc1

STK579757
Synonyms: N'- [(1E)- 1- (1- cyclohexyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)C1CCCCC1)O)/C

STK579758
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)thiophene- 2- carboxamide
Smiles: CC(CN(C(=O)c1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK579759
Synonyms: [4- (3- chlorophenyl)piperazin- 1- yl](4,5,6- trimethoxy- 1H- indol- 2- yl)methanone
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N1CCN(CC1)c1cccc(c1)Cl

STK579760
Synonyms: (1Z)- 8- ethyl- 1- (2- hydroxy- 4- oxo- 1,3- thiazol- 5(4H)- ylidene)- 4,4,6- trimethyl- 5,6- dihydro- 4H- pyrrolo[3,2,1- ij]quinolin- 2(1H)- one
Smiles: CCc1cc2C(C)CC(N3c2c(c1)/C(=C\1/SC(=NC1=O)O)/C3=O)(C)C

STK579761
Synonyms: 4- [(dibutylammonio)methyl]- 8- methyl- 2- oxo- 2H- chromen- 7- olate
Smiles: CCCC[NH+](Cc1cc(=O)oc2c1ccc(c2C)[O-])CCCC

STK579763
Synonyms: 9- [3- (1H- imidazol- 1- yl)propyl]- 7- (4- methylphenyl)- 7,9- dihydro- 8H- benzo[7,8]chromeno[2,3- d]pyrimidin- 8- imine
Smiles: Cc1ccc(cc1)C1c2c(ncn(c2=N)CCCn2ccnc2)Oc2c1ccc1c2cccc1

STK579764
Synonyms: (4E)- 5- (3- ethoxy- 4- hydroxyphenyl)- 1- (furan- 2- ylmethyl)- 4- [hydroxy(3- nitrophenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2cccc(c2)[N+](=O)[O-])\O)/C(=O)C(=O)N1Cc1ccco1

STK579766
Synonyms: 1- (3- chlorophenyl)- 2- hydroxy- 6- (2- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Clc1cccc(c1)n1c(O)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK579768
Synonyms: 2- {4- (4- methoxyphenyl)- 5- [(3- methylbenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: COc1ccc(cc1)n1c(nnc1c1ccccn1)SCc1cccc(c1)C

STK579769
Synonyms: 3- [(3- fluorobenzyl)sulfanyl]- 5- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)F)nnc1c1cccc(c1)OC

STK579770
Synonyms: N- (3- chlorophenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1c1ccccc1)c1cnccn1

STK579771
Synonyms: 1- {[7- (3- chlorobenzyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]methyl}piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1Cc1cccc(c1)Cl)c(=O)n(c(=O)n2C)C

STK579772
Synonyms: ethyl4- (8- methyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2nnnn2c2c1c1CCN(Cc1s2)C

STK579774
Synonyms: 5- (3- ethoxyphenyl)- 4- {[(E)- thiophen- 2- ylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccs1

STK579775
Synonyms: 5- (2- ethyl- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)- 3- (4- fluorobenzyl)- 2,6- dihydroxypyrimidin- 4(3H)- one
Smiles: CCN1CCc2c(C1c1c(O)nc(n(c1=O)Cc1ccc(cc1)F)O)[nH]c1c2cccc1

STK579776
Synonyms: (3S)- N- [(2R)- 1- oxo- 1- {[4- (propan- 2- yl)phenyl]amino}propan- 2- yl]- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C([C@H](NC(=O)[C@H]1NCc2c(C1)cccc2)C)Nc1ccc(cc1)C(C)C

STK579777
Synonyms: (4E)- 5- (2- chlorophenyl)- 1- (3- chlorophenyl)- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: Clc1cccc(c1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1Cl

STK579778
Synonyms: (E)- N- {[8- (3- chlorophenyl)- 10- methyl- 11- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]methoxy}- 1- (4- methoxyphenyl)methanimine
Smiles: COc1ccc(cc1)/C=N/OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)c(C)nn2c1cccc(c1)Cl

STK579781
Synonyms: 4- {[(E)- (2- chloro- 6- fluorophenyl)methylidene]amino}- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl

STK579783
Synonyms: (3a'S,6a'R)- 5'- (butan- 2- yl)- 5- chloro- 3'- (1- hydroxyethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Cl)cc2)C

STK579784
Synonyms: 1- (4- ethylphenyl)- N,4- bis(4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK579785
Synonyms: methylN- (butan- 2- ylcarbamoyl)- L- methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)NC(CC)C

STK579786
Synonyms: 3- (1H- benzimidazol- 2- yl)- 1- (3- methylbutyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: CC(CCn1c2nc3ccccc3nc2c(c1N)c1nc2c([nH]1)cccc2)C

STK579788
Synonyms: 1- tert- butyl4- (2- chloro- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)piperidine- 1,4- dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3

STK579789
Synonyms: 7- bromo- 1- (4- fluorophenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK579791
Synonyms: 4- ({S- benzyl- N- [(3,5,9- trimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)acetyl]- D- cysteinyl}amino)butanoicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)N[C@@H](C(=O)NCCCC(=O)O)CSCc1ccccc1

STK579793
Synonyms: 5- hydroxy- 4- (4- methoxyphenyl)- 2- {[2- (4- methoxyphenyl)- 2- oxoethyl]sulfanyl}- 7,7- dimethyl- 4,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: COc1ccc(cc1)C(=O)CSC1=C(C#N)C(C2=C(CC(CC2=N1)(C)C)O)c1ccc(cc1)OC

STK579795
Synonyms: 2- chloro- N- [(1Z)- 1- {1- cyano- 2- [(4- methylbenzyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1Cl)/C(=O)NCc1ccc(cc1)C

STK579797
Synonyms: 1- {4- [(2- chlorobenzyl)oxy]phenyl}- 7- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)OCc1ccccc1Cl)c1noc(c1)C

STK579798
Synonyms: N- (4- chloro- 2- methylphenyl)- 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK579799
Synonyms: (3S,3'R,3a'R,6a'S)- 3'- [(4- chlorophenyl)(hydroxy)methyl]- 5'- [2- (3,4- dimethoxyphenyl)ethyl]- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COc1cc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(N[C@H]3[C@@H](c3ccc(cc3)Cl)O)C(=O)Nc3c2cccc3)ccc1OC

STK579800
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK579803
Synonyms: 5- {3- [(2- chlorobenzyl)oxy]phenyl}- N'- [(E)- phenylmethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1Cl)N/N=C/c1ccccc1

STK579806
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- 1- (4- nitrophenyl)ethanone
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)c1ccc(cc1)[N+](=O)[O-])SC

STK579807
Synonyms: 5- benzyl- N- [(2E)- 6- ethyl- 4- methylquinazolin- 2(1H)- ylidene]- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: CCc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)Cc1ccccc1)/[nH]2

STK579808
Synonyms: 7- [(3- methoxybenzyl)oxy]- 3- phenyl- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: COc1cccc(c1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F

STK579809
Synonyms: (3R,3'S,5'S)- 5- fluoro- N- (4- methoxyphenyl)- 5'- (2- methylpropyl)- 2- oxo- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(F)cc1)CC(C)C

STK579814
Synonyms: (4E)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 1- methyl- 5- (4- methylphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)C)/O

STK579815
Synonyms: 8- methoxy- 2,3- bis(4- methylphenyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COc1ccc2c(c1)oc1c(c2=O)c(=O)n(c(n1)c1ccc(cc1)C)c1ccc(cc1)C

STK579816
Synonyms: 3- (3- methylphenyl)- 4- (4- methylphenyl)- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1c1cccc(c1)C

STK579819
Synonyms: 3- [5- (4- bromo- 2,6- dimethylphenoxy)pentyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1c(C)cc(cc1C)Br

STK579820
Synonyms: 1- (furan- 2- ylmethyl)- 6- (4- methoxybenzyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: COc1ccc(cc1)CN1CNc2c(C1)c(=O)nc(n2Cc1ccco1)S

STK579821
Synonyms: N- benzyl- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)NCc1ccccc1

STK579822
Synonyms: 3- [(5Z)- 5- (furan- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- [2- (1H- imidazol- 4- yl)ethyl]propanamide
Smiles: O=C(CCN1C(=S)S/C(=C\c2ccco2)/C1=O)NCCc1c[nH]cn1

STK579823
Synonyms: 1- {[7- (2,6- dichlorobenzyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]methyl}piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1Cc1c(Cl)cccc1Cl)c(=O)n(c(=O)n2C)C

STK579824
Synonyms: N- [3- (3- methoxyphenyl)- 1- methyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]benzamide
Smiles: COc1cccc(c1)c1c(=O)c2ccccc2n(c1NC(=O)c1ccccc1)C

STK579826
Synonyms: N- [3- (4- bromophenyl)- 6- chloro- 4- oxo- 4H- chromen- 2- yl]benzamide
Smiles: Brc1ccc(cc1)c1c(NC(=O)c2ccccc2)oc2c(c1=O)cc(cc2)Cl

STK579827
Synonyms: (2E,5Z)- 2- [(2- bromophenyl)imino]- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OC1=N/C(=N\c2ccccc2Br)/S/C/1=C\c1cn(c2c1cccc2)C

STK579828
Synonyms: 4- ({[5- (3- methylphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C

STK579829
Synonyms: 9- (4- hydroxy- 3,5- dimethoxyphenyl)- 6- (4- methoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cc(OC)c(c(c2)OC)O)ncn3)C1)O

STK579830
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (3- hydroxyphenyl)- 1- (6- methoxy- 1,3- benzothiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)O

STK579831
Synonyms: 2- [4- (2- methoxyphenyl)- 2- (propan- 2- yl)tetrahydro- 2H- pyran- 4- yl]- 1- (1H- pyrazol- 1- yl)ethanone
Smiles: COc1ccccc1C1(CCOC(C1)C(C)C)CC(=O)n1cccn1

STK579832
Synonyms: 3'- (2,4- dimethylphenyl)- 6'- hydroxy- 2,4- dimethyl- 8- nitro- 1,2,4,4a- tetrahydro- 2'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CC1OC(C)C2N(C1)c1ccc(cc1CC12C(=NC(=O)N(C1=O)c1ccc(cc1C)C)O)[N+](=O)[O-]

STK579836
Synonyms: (E)- {2- (3- hydroxyphenyl)- 1- [2- (morpholin- 4- ium- 4- yl)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)O)CC[NH+]1CCOCC1)/[O-]

STK579837
Synonyms: 5- (3,4- dichlorophenyl)- N'- [(E)- (4- methylphenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: Cc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl

STK579838
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1

STK579839
Synonyms: 7- (3,4- dichlorophenyl)- 3- phenyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccc(cc1Cl)n1ncc2c1ncn1c2nnc1c1ccccc1

STK579841
Synonyms: 2- hydroxy- 8- methyl- 3- ({(E)- [4- (pentyloxy)phenyl]methylidene}amino)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCCOc1ccc(cc1)/C=N/n1c(O)nc2c(c1=O)[nH]c1c2cc(cc1)C

STK579842
Synonyms: 3- (3- bromo- 4- fluorophenyl)- 5- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(c(c1)Br)F

STK579843
Synonyms: 10a- [(E)- 2- (9H- fluoren- 2- yl)ethenyl]- 8,10,10- trimethyl- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: Cc1ccc2c(c1)C(C)(C)C1(N2CCC(=O)N1)/C=C/c1ccc2c(c1)Cc1c2cccc1

STK579844
Synonyms: N- [(2E)- 3- (4- chlorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 3- phenylpropanamide
Smiles: O=C(/N=C\1/SC2C(N1c1ccc(cc1)Cl)CS(=O)(=O)C2)CCc1ccccc1

STK579845
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK579846
Synonyms: (5E)- 3- benzyl- 5- [1- (hexylamino)propylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCCCN/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/CC

STK579848
Synonyms: 2- {[4- (4- chlorophenyl)- 3- cyano- 5- hydroxy- 7,7- dimethyl- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (4- fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)Cl

STK579849
Synonyms: 6- {[cyclohexyl(methyl)ammonio]methyl}- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- olate
Smiles: C[NH+](C1CCCCC1)Cc1c([O-])ccc2c1oc(=O)c1c2CCC1

STK579850
Synonyms: methyl{[3- cyano- 4- (furan- 2- yl)- 6,7- dihydro- 5H- cyclopenta[b]pyridin- 2- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc2CCCc2c(c1C#N)c1ccco1

STK579852
Synonyms: 8- (2,5- dimethyl- 1H- pyrrol- 1- yl)- 3- (2- fluorophenyl)- 1',3'- dimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1F)n1c(C)ccc1C

STK579853
Synonyms: 3- (2- ethoxyphenoxy)- 8- [(4- methylpiperidinium- 1- yl)methyl]- 4- oxo- 4H- chromen- 7- olate
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2C[NH+]1CCC(CC1)C)[O-]

STK579855
Synonyms: 3- (3- chlorophenyl)- 2- {[2- (morpholin- 4- yl)ethyl]amino}- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1cccc(c1)n1c(NCCN2CCOCC2)nc2c(c1=O)c1CCCCCc1s2

STK579856
Synonyms: N- (2- methylphenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nnc(n1c1ccccc1)c1cnccn1

STK579857
Synonyms: 1- (2- methylprop- 2- en- 1- yl)- 6- (propan- 2- yl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CC(=C)Cn1c(S)nc(=O)c2c1NCN(C2)C(C)C

STK579858
Synonyms: 2- {5- [(2,6- dichlorobenzyl)sulfanyl]- 4- phenyl- 4H- 1,2,4- triazol- 3- yl}pyrazine
Smiles: Clc1cccc(c1CSc1nnc(n1c1ccccc1)c1cnccn1)Cl

STK579861
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK579862
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,5- dichlorophenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1c1cccc(c1)Cl

STK579863
Synonyms: N- [4- (dimethylamino)phenyl]- 2- {[4- (4- ethoxyphenyl)- 5- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)N(C)C)nnc1c1ccccc1

STK579864
Synonyms: 5- [(2E)- 3- (1- benzyl- 1H- indol- 3- yl)prop- 2- enoyl]- 6- hydroxy- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: O=C(c1c(O)n(C)c(=O)n(c1=O)C)/C=C/c1cn(c2c1cccc2)Cc1ccccc1

STK579865
Synonyms: (3R,3'S,5'R)- N- (4- methoxyphenyl)- 5,7- dimethyl- 2- oxo- 5'- (propan- 2- yl)- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1C)C(C)C

STK579866
Synonyms: N- (4- bromophenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Br)nnc1c1ccccc1F

STK579868
Synonyms: 2- [5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)c1ncncc1c1ccc(c(c1)OC)OC

STK579870
Synonyms: N- [3- (diethylamino)propyl]- 3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- (4- methylphenyl)propanamide
Smiles: CCN(CCCNC(=O)CC(c1ccc(cc1)C)C1CCOC(C1)(C)C)CC

STK579871
Synonyms: 8- (2,4- dimethoxyphenyl)- 3- (3- hydroxypropyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1OC)OC

STK579873
Synonyms: 4- imino- 9,10- dimethoxy- 2- phenyl- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: COc1cc2c(cc1OC)CCn1c2cc(c2ccccc2)c(c1=N)C#N

STK579874
Synonyms: 6- amino- 4- (2,3- dimethoxyphenyl)- 3- methyl- 1- phenyl- 1H- pyrazolo[3,4- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1cccc(c1OC)OC)c(C)nn2c1ccccc1

STK579875
Synonyms: 1- [2- (diethylamino)ethyl]- N- [4- (dimethylamino)benzyl]- 1H- benzimidazol- 2- amine
Smiles: CCN(CCn1c(NCc2ccc(cc2)N(C)C)nc2c1cccc2)CC

STK579876
Synonyms: N- cyclopropyl- 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]hexanamide
Smiles: O=C(NC1CC1)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK579878
Synonyms: methylN- {[2- (cyclohex- 1- en- 1- yl)ethyl]carbamoyl}- L- leucinate
Smiles: COC(=O)[C@@H](NC(=O)NCCC1=CCCCC1)CC(C)C

STK579879
Synonyms: 2- {[3- cyano- 5- hydroxy- 4- (4- methoxyphenyl)- 7,7- dimethyl- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)OC

STK579883
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazole
Smiles: Clc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCc1ccc(cc1)Br

STK579884
Synonyms: 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- [4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C

STK579885
Synonyms: N- (2- bromo- 4- methylphenyl)- 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2Br)C)nnc1COc1ccc(cc1)Cl

STK579887
Synonyms: 7- chloro- 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 1- (2- methoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccccc1C1N(c2nc3c(s2)cc(cc3C)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK579888
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (phenylcarbonyl)- 2'- [(4- propoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK579889
Synonyms: 1- (3,4- dimethoxyphenyl)- 2- ethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c(=O)c1c(o2)cccc1

STK579893
Synonyms: 7- chloro- 1- (3,4- dimethoxyphenyl)- 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)C1N(c2nc3c(s2)cc(cc3C)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK579894
Synonyms: N- [(3Z)- 1- ethyl- 6- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- methoxybenzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]n(c2c1cc1cc(C)ccc1n2)CC

STK579896
Synonyms: N- (2,6- dichlorophenyl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1c(Cl)cccc1Cl

STK579897
Synonyms: ethyl4- {[2- (2- hydroxy- 3- methoxyphenyl)quinazolin- 4- yl]oxy}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK579898
Synonyms: 4- [({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)methyl]benzonitrile
Smiles: C=CCn1c(nnc1COc1ccc(cc1)Cl)SCc1ccc(cc1)C#N

STK579900
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (4- fluorophenyl)ethanone
Smiles: Fc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK579902
Synonyms: 1- {N'- (4,6- dimethylpyrimidin- 2- yl)- N- [2- (1H- indol- 3- yl)ethyl]carbamimidoyl}- 3- phenylurea
Smiles: O=C(Nc1ccccc1)N/C(=N/c1nc(C)cc(n1)C)/NCCc1c[nH]c2c1cccc2

STK579903
Synonyms: N- [1- methyl- 4- oxo- 3- (3,4,5- trimethoxyphenyl)- 1,4- dihydroquinolin- 2- yl]- 3- nitrobenzamide
Smiles: COc1cc(cc(c1OC)OC)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])n(C)c2c(c1=O)cccc2

STK579904
Synonyms: 3- {5- chloro- 4- [(2,4- dimethoxyphenyl)amino]- 6- oxopyridazin- 1(6H)- yl}tricyclo[3.3.1.1~3,7~]decane- 1- carboxylicacid
Smiles: COc1cc(OC)ccc1Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2)(C3)C(=O)O

STK579905
Synonyms: 3- (3- chlorophenyl)- 7- methyl- 2- {[2- (morpholin- 4- yl)ethyl]amino}- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)NCCN1CCOCC1)c1cccc(c1)Cl

STK579908
Synonyms: 4- ({(E)- [4- (benzyloxy)phenyl]methylidene}amino)- 5- (2- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)OCc1ccccc1

STK579909
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (3- methoxyphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cccc(c1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK579910
Synonyms: (5E)- 1- butyl- 5- [(1- propyl- 1,2,3,4- tetrahydroquinolin- 7- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCCCN1C(=NC(=O)/C(=C\c2ccc3c(c2)N(CCC)CCC3)/C1=O)S

STK579911
Synonyms: (2Z)- 1- (3,5- dichlorophenyl)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3cc(Cl)cc(c3)Cl)/NCCc2cc1OC

STK579913
Synonyms: 4- (4- chlorophenyl)- 1- (4- fluorophenyl)- N- (4- methoxyphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(c2ccc(cc2)F)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl

STK579914
Synonyms: 1- tert- butyl4- (3,4- dimethyl- 2- oxo- 2H- chromen- 7- yl)piperidine- 1,4- dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1ccc2c(c1)oc(=O)c(c2C)C

STK579915
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1Cc1ccco1)Cc1cccs1)C

STK579916
Synonyms: (3S)- N- [2- oxo- 2- (propylamino)ethyl]- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: CCCNC(=O)CNC(=O)[C@H]1NCc2c(C1)cccc2

STK579918
Synonyms: N- [(2Z)- 3- (3- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methylpropanamide
Smiles: Fc1cccc(c1)N1/C(=N/C(=O)C(C)C)/SC2C1CS(=O)(=O)C2

STK579919
Synonyms: N- [(2Z)- 3- (2,4- dimethylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: Cc1ccc(c(c1)C)N1/C(=N/C(=O)C)/SC2C1CS(=O)(=O)C2

STK579920
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK579922
Synonyms: 2- chloro- N- [4- (4- chlorophenyl)- 6- methyl- 5- oxo- 2- phenyl- 2,5- dihydropyridazin- 3- yl]benzamide
Smiles: Clc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)c1ccccc1Cl)c1ccccc1

STK579923
Synonyms: (3R,3'S,5'R)- N- (4- methoxyphenyl)- 7- methyl- 2- oxo- 5'- (propan- 2- yl)- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cccc1C)C(C)C

STK579925
Synonyms: 2- {2- [(2- methoxyphenoxy)methyl]- 8,9- diphenyl- 7H- pyrrolo[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 7- yl}ethanol
Smiles: OCCn1c2ncn3c(c2c(c1c1ccccc1)c1ccccc1)nc(n3)COc1ccccc1OC

STK579927
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1c1ccccc1)c1cnccn1

STK579932
Synonyms: 8- (3- methoxyphenyl)- 1- methyl- 3- (3- methylbenzyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)C

STK579934
Synonyms: 2- benzyl- 7- methyl- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(cc(c1OC)OC)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK579935
Synonyms: 10a- [(E)- 2- (2- chlorophenyl)ethenyl]- 8,10,10- trimethyl- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: O=C1CCN2C(N1)(/C=C/c1ccccc1Cl)C(C)(C)c1c2ccc(c1)C

STK579936
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(4- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 5- (3- propoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK579937
Synonyms: 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 7- methyl- 1- phenyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1cc(C)c2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)ccc(c1)C

STK579938
Synonyms: (4Z)- 2- (4- methoxyphenyl)- 4- {2- [4- (methylsulfanyl)phenyl]- 4H- chromen- 4- ylidene}- 1,3- oxazol- 5(4H)- one
Smiles: COc1ccc(cc1)C1=N/C(=C\2/C=C(Oc3c2cccc3)c2ccc(cc2)SC)/C(=O)O1

STK579939
Synonyms: N- (4- chloro- 2- methylphenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Cl)nnc1COc1ccc(cc1)C

STK579940
Synonyms: methyl[(6- chloro- 1- hydroxy- 9- oxo- 9H- xanthen- 3- yl)oxy]acetate
Smiles: COC(=O)COc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl

STK579941
Synonyms: 10- (3- methoxyphenyl)- 1,3- dimethyl- 5- (4- methylphenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1cccc(c1)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccc(cc1)C)C

STK579943
Synonyms: 13- (3,4- diethoxyphenyl)- 9,10- dimethoxy- 3,3- dimethyl- 2,3,4,6,7,13- hexahydro- 1H- isoquino[2,1- a]quinolin- 1- one
Smiles: CCOc1cc(ccc1OCC)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc(OC)c(c1)OC

STK579944
Synonyms: 2- (4- butoxy- 3- methoxyphenyl)- 4- imino- 6,7- dihydro- 4H- [1,3]dioxolo[4,5- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: CCCCOc1ccc(cc1OC)c1cc2c3cc4OCOc4cc3CCn2c(=N)c1C#N

STK579946
Synonyms: 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 7- methyl- 1- [3- (prop- 2- en- 1- yloxy)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: C=CCOc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK579947
Synonyms: N- [(2Z)- 3- (3- bromo- 4,5- diethoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: CCOc1cc(cc(c1OCC)Br)N1/C(=N/C(=O)C)/SC2C1CS(=O)(=O)C2

STK579948
Synonyms: 4- {[(E)- (3- methylphenyl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1cccc(c1)C

STK579949
Synonyms: 2- {5- [(2,5- dimethylbenzyl)sulfanyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Cc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nnc1c1ccccn1

STK579953
Synonyms: 4- methoxy- N- {(4E)- 2- [4- (methylsulfanyl)phenyl]- 4H- chromen- 4- ylidene}aniline
Smiles: COc1ccc(cc1)/N=c/1\cc(oc2c1cccc2)c1ccc(cc1)SC

STK579954
Synonyms: [4- (2- fluorophenyl)piperazin- 1- yl](6- methoxy- 1H- indol- 2- yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CCN(CC1)c1ccccc1F

STK579955
Synonyms: methyl({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetate
Smiles: COC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)OC

STK579956
Synonyms: 4- (4- bromophenyl)- 1- phenyl- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: Brc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1ccccc1

STK579957
Synonyms: N- (2,5- dimethylphenyl)- 2,4- dihydroxy- 6,7- dimethoxyquinoline- 3- carboxamide
Smiles: COc1cc2nc(O)c(c(c2cc1OC)O)C(=O)Nc1cc(C)ccc1C

STK579960
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(2,3,4,5- tetrafluorophenyl)methanone
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)c1cc(F)c(c(c1F)F)F

STK579961
Synonyms: N- (3,5- dimethylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1COc1ccccc1

STK579962
Synonyms: N- butyl- 6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinoline- 2(1H)- carbothioamide
Smiles: CCCCNC(=S)N1CCc2c(C1C)cc(c(c2)OC)OC

STK579965
Synonyms: (5,6- dimethoxy- 1H- indol- 2- yl)(1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCC2(CC1)OCCO2

STK579966
Synonyms: 5- (2- fluorophenyl)- 4- {[(E)- 1H- indol- 3- ylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1c[nH]c2c1cccc2

STK579968
Synonyms: 4- {[(E)- (3- bromophenyl)methylidene]amino}- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccc(c1)Br

STK579969
Synonyms: (4Z)- 4- [2- (1,3- benzodioxol- 5- yl)- 4H- chromen- 4- ylidene]- 2- (4- chlorophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: Clc1ccc(cc1)C1=N/C(=C\2/C=C(Oc3c2cccc3)c2ccc3c(c2)OCO3)/C(=O)O1

STK579970
Synonyms: 2- chloro- N- [2- (4- chlorophenyl)- 6- methyl- 5- oxo- 4- phenyl- 2,5- dihydropyridazin- 3- yl]benzamide
Smiles: Clc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1ccccc1Cl)c1ccccc1

STK579972
Synonyms: (4E)- 5- (4- chlorophenyl)- 4- [hydroxy(phenyl)methylidene]- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)C(F)(F)F

STK579973
Synonyms: 6- methyl- 1- oxo- N- (1,3- thiazol- 2- yl)- 3,4- dihydro- 1H- isochromene- 3- carboxamide
Smiles: O=C(C1OC(=O)c2c(C1)cc(cc2)C)Nc1nccs1

STK579975
Synonyms: 1- (4- chlorophenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)Cl)nnc1COc1ccc(cc1)C

STK579976
Synonyms: [4- (difluoromethoxy)- 3- ethoxyphenyl](6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: CCOc1cc(ccc1OC(F)F)C(=O)N1CCc2c(C1)cc(c(c2)OC)OC

STK579977
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C)nnc1c1ccccn1

STK579978
Synonyms: 5- (2,3- dichlorophenyl)- 2- (3- iodophenyl)- 4- phenyl- 1H- imidazole
Smiles: Ic1cccc(c1)c1nc(c([nH]1)c1cccc(c1Cl)Cl)c1ccccc1

STK579979
Synonyms: N- (2,6- difluorophenyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)acetamide
Smiles: O=C(Nc1c(F)cccc1F)CN1CCc2c(C1)cc1c(c2)OCCCO1

STK579980
Synonyms: 3- benzyl- 8- (3- methoxypropyl)- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCCn1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)Cc1ccccc1

STK579983
Synonyms: 1- hydroxy- 5- methyl- 3- [2- (naphthalen- 2- yl)- 2- oxoethoxy]- 9H- xanthen- 9- one
Smiles: O=C(c1ccc2c(c1)cccc2)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK579985
Synonyms: N- [(3E)- 1- butyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- fluorobenzenesulfonamide
Smiles: CCCCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)F)/c2c1nc1ccccc1c2

STK579986
Synonyms: 3- {[3- (dimethylamino)propyl]amino}- 7- methyl- 1- (pyrrolidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(NCCCN(C)C)nc(c2c1CCN(C2)C)N1CCCC1

STK579988
Synonyms: {3- [5- chloro- 4- (cyclopropylamino)- 6- oxopyridazin- 1(6H)- yl]tricyclo[3.3.1.1~3,7~]dec- 1- yl}aceticacid
Smiles: OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)NC1CC1

STK579992
Synonyms: 4- (4- chlorophenyl)- 3- (3- methylphenyl)- 5- {[3- (trifluoromethyl)benzyl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: Clc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nnc1c1cccc(c1)C

STK579993
Synonyms: 4- imino- 2- (4- nitrophenyl)- 6,7- dihydro- 4H- [1,3]dioxolo[4,5- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(cc1)[N+](=O)[O-]

STK579994
Synonyms: (5E)- 2,6- dihydroxy- 5- ({[4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]amino}methylidene)pyrimidin- 4(5H)- one
Smiles: COc1ccc(cc1)c1csc(n1)N/C=C/1\C(=NC(=NC1=O)O)O

STK579995
Synonyms: 4- chloro- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2cccc(c2[nH]c1=O)C)C

STK579998
Synonyms: N- [(3E)- 1- ethyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- fluorobenzenesulfonamide
Smiles: CCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)F)/c2c1nc1c(C)cccc1c2

STK580002
Synonyms: 1- hydroxy- 9- oxo- 9H- xanthen- 3- ylN- [(benzyloxy)carbonyl]- D- valinate
Smiles: O=C(N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)C(C)C)OCc1ccccc1

STK580003
Synonyms: N- [(2Z)- 5,5- dioxido- 3- [4- (trifluoromethyl)phenyl]tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C/1\SC2C(N1c1ccc(cc1)C(F)(F)F)CS(=O)(=O)C2

STK580004
Synonyms: (2E)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 3- (5- iodofuran- 2- yl)prop- 2- en- 1- one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)/C=C/c1ccc(o1)I

STK580005
Synonyms: 4- ({(E)- [4- (benzyloxy)phenyl]methylidene}amino)- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)OCc1ccccc1)C

STK580007
Synonyms: 2,6- dimethoxy- 4- [(E)- {[3- (2- methoxyphenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]phenylacetate
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2ccccc2OC)cc(c1OC(=O)C)OC

STK580008
Synonyms: 2- [8- (4- chlorophenyl)- 11- (2- methoxyphenyl)- 10- methyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]phenol
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1O)c1ccc(cc1)Cl

STK580009
Synonyms: 2,2'- [(2,2- dimethyl- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl)imino]diethanol
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N(CCO)CCO

STK580011
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 4- ethyl- 5- (2- fluorophenyl)- 4H- 1,2,4- triazole
Smiles: CCn1c(SCc2c(Cl)cccc2Cl)nnc1c1ccccc1F

STK580013
Synonyms: (4E)- 5- [3- (benzyloxy)phenyl]- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(4- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: Cc1ccc(cc1)CSc1nnc(s1)N1C(c2cccc(c2)OCc2ccccc2)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STK580014
Synonyms: 3- (7- phenyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)naphthalen- 2- ol
Smiles: Oc1cc2ccccc2cc1c1nc2n(n1)cnc1c2cnn1c1ccccc1

STK580015
Synonyms: 2,5- dichloro- N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}benzamide
Smiles: Clc1ccc(c(c1)C(=O)NCc1nnc2n1cc(Cl)cc2C(F)(F)F)Cl

STK580016
Synonyms: 1,3- diphenyl- 5- [(1- propyl- 1H- indol- 3- yl)methylidene]- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CCCn1cc(c2c1cccc2)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1

STK580017
Synonyms: (4E)- 2- (3,4- dimethylphenyl)- 4- {[(5- methyl- 1,2- oxazol- 3- yl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: Cc1onc(c1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(c(c1)C)C

STK580019
Synonyms: (4E)- 2- (2- methoxyphenyl)- 4- {[(3- methoxyphenyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1cccc(c1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1OC

STK580020
Synonyms: 2- hydroxy- 1- (3- methylphenyl)- 6- (1- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1cccc(c1)n1c(O)nc(=O)c2c1NCN(C2)C(c1ccccc1)C

STK580021
Synonyms: 6'- hydroxy- 3- (4- methoxyphenyl)- 3'- methyl- 8- nitro- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C1=O)C)O

STK580025
Synonyms: 4- chloro- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK580027
Synonyms: 2- {[5- (2- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1c1ccccc1)c1ccccc1Cl

STK580028
Synonyms: 13- (3- bromophenyl)- 9,10- dimethoxy- 3,3- dimethyl- 2,3,4,6,7,13- hexahydro- 1H- isoquino[2,1- a]quinolin- 1- one
Smiles: COc1cc2c(cc1OC)CCN1C2=CC(c2cccc(c2)Br)C2=C1CC(CC2=O)(C)C

STK580029
Synonyms: N,N'- (ethane- 1,2- diylbis{imino[(1E)- 1- (furan- 2- yl)- 3- oxoprop- 1- ene- 3,2- diyl]})difuran- 2- carboxamide
Smiles: O=C(/C(=C\c1ccco1)/NC(=O)c1ccco1)NCCNC(=O)/C(=C\c1ccco1)/NC(=O)c1ccco1

STK580030
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (4- chlorophenyl)ethylidene]- 5- {[methyl(phenyl)amino]methyl}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Clc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N)/C

STK580031
Synonyms: N- [3,5- bis(trifluoromethyl)phenyl]- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK580032
Synonyms: 5- (4- chlorophenyl)- 10- (2,4- dihydroxyphenyl)- 1,3,7,7- tetramethyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)c1c2c(c3n1C(C)(C)COC3c1ccc(cc1O)O)n(C)c(=O)n(c2=O)C

STK580033
Synonyms: 5- (biphenyl- 4- yl)- 7- phenyl- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1ccccc1

STK580036
Synonyms: (5Z)- 3- (4- chlorophenyl)- 6- hydroxy- 5- {[1- (4- hydroxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: Oc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O

STK580037
Synonyms: (5Z)- 5- [1- acetyl- 5- (4- hydroxy- 3- methoxyphenyl)pyrazolidin- 3- ylidene]- 3- (4- chlorophenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: COc1cc(ccc1O)C1C/C(=C/2\C(=NC(=O)N(C2=O)c2ccc(cc2)Cl)O)/NN1C(=O)C

STK580039
Synonyms: 4- [(Z)- (8- ethoxy- 4- iminio- 2- oxo- 2H- pyrimido[2,1- b][1,3]benzothiazol- 3(4H)- ylidene)methyl]- 2- methoxyphenolate
Smiles: CCOc1ccc2c(c1)sc1=NC(=O)/C(=C\c3ccc(c(c3)OC)[O-])/C(=[NH2+])n21

STK580040
Synonyms: N- (furan- 2- ylmethyl)- 3- [(4Z)- 4- {[(6- methylpyridin- 2- yl)amino]methylidene}- 1,3- dioxo- 3,4- dihydroisoquinolin- 2(1H)- yl]benzenesulfonamide
Smiles: Cc1cccc(n1)N/C=C/1\C(=O)N(c2cccc(c2)S(=O)(=O)NCc2ccco2)C(=O)c2c1cccc2

STK580041
Synonyms: (4E)- 5- (4- chlorophenyl)- 4- [(4- ethoxyphenyl)(hydroxy)methylidene]- 1- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)Cl)N(C(=O)C1=O)c1ccc(cc1)OC)/O

STK580042
Synonyms: 2- (4- fluorophenyl)- 8- methoxy- 3- pentyl- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CCCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC)c1ccc(cc1)F

STK580043
Synonyms: 5- (2,3- dichlorophenyl)- 2- (2,3- dimethoxyphenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1cccc(c1OC)c1[nH]c(c(n1)c1ccccc1)c1cccc(c1Cl)Cl

STK580044
Synonyms: 3- butyl- 10- methyl- 2- (2- methylphenyl)pyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccccc1C

STK580045
Synonyms: 2- ({6- cyano- 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl}sulfanyl)- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc2n1c(Nc1ccc(cc1)C)c(C#N)c1c2COC(C1)(C)C

STK580047
Synonyms: (4E)- 4- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)- 2- [3- (trifluoromethyl)phenyl]isoquinoline- 1,3(2H,4H)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)c2c(/C/1=C\NCCCN1CCOCC1)cccc2

STK580048
Synonyms: 3- [(2,4- dichlorobenzyl)sulfanyl]- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 4- amine
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc(n1N)c1cccnc1

STK580050
Synonyms: methyl(8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetate
Smiles: COC(=O)Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK580051
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,5- dimethoxyphenyl)acetamide
Smiles: COc1cc(NC(=O)CSc2nnc(n2c2ccc(cc2)Cl)COc2ccccc2)cc(c1)OC

STK580052
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- [2- (benzyloxy)phenyl]- 6- methyl- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: O=C1N(C)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccccc1OCc1ccccc1

STK580053
Synonyms: 3- (6- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)- 5- (2- fluorophenyl)- N- methyl- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: CNC(=S)N1N=C(CC1c1ccccc1F)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK580054
Synonyms: 2- [(4- ethyl- 7- methyl- 2- oxo- 2H- chromen- 5- yl)oxy]- N- (pyridin- 4- ylmethyl)propanamide
Smiles: CCc1cc(=O)oc2c1c(cc(c2)C)OC(C(=O)NCc1ccncc1)C

STK580057
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- ethyl- 6- methylphenyl)acetamide
Smiles: CCc1cccc(c1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1OC)C

STK580058
Synonyms: (5E)- 5- {1- [(1,3- benzodioxol- 5- ylmethyl)amino]propylidene}- 3- cyclohexyl- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O)/NCc1ccc2c(c1)OCO2

STK580059
Synonyms: 3- [(E)- (5- iminio- 7- oxo- 5H- [1,3]thiazolo[3,2- a]pyrimidin- 6(7H)- ylidene)methyl]- 4- oxo- 4H- chromen- 6- olate
Smiles: [O-]c1ccc2c(c1)c(=O)c(co2)/C=C\1/C(=O)N=c2n(C1=[NH2+])ccs2

STK580061
Synonyms: (3S,3a'R,8a'S,8b'S)- 7- ethyl- 2'- (naphthalen- 2- yl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK580063
Synonyms: 7- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 6(7H)- one
Smiles: O=C(N1CCCC1)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2

STK580067
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (furan- 2- ylmethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK580068
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- fluorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2F)nnc1COc1ccccc1

STK580069
Synonyms: 3- [4- (methoxycarbonyl)phenoxy]- 8- [(2- methylpiperidinium- 1- yl)methyl]- 4- oxo- 4H- chromen- 7- olate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2C[NH+]1CCCCC1C)[O-]

STK580070
Synonyms: (E)- 2,3- dihydro- 1,4- benzodioxin- 6- yl{2- [4- (dimethylamino)phenyl]- 1- [2- (dimethylammonio)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccc(cc1)N(C)C)C

STK580072
Synonyms: N- (3,4- dichlorophenyl)- 6- fluoro- 2- methylquinoline- 3- carboxamide
Smiles: Fc1ccc2c(c1)cc(c(n2)C)C(=O)Nc1ccc(c(c1)Cl)Cl

STK580074
Synonyms: 1- (4- ethoxyphenyl)- N- (3- methoxyphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)OC)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK580077
Synonyms: 3- {(Z)- [3- (3- methoxypropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 9- methyl- 2- (4- phenylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C1=O

STK580078
Synonyms: N- [4- (4- chlorophenyl)- 2- (3,4- dimethylphenyl)- 6- methyl- 5- oxo- 2,5- dihydropyridazin- 3- yl]butanamide
Smiles: CCCC(=O)Nc1n(nc(c(=O)c1c1ccc(cc1)Cl)C)c1ccc(c(c1)C)C

STK580079
Synonyms: methyl4- [9- (5- methyl- 1,2- oxazol- 3- yl)- 8,11- dioxo- 8,9,10,11- tetrahydrobenzo[5,6]chromeno[2,3- c]pyrrol- 10- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc2c1cccc2

STK580080
Synonyms: 2- benzyl- 9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)Cc1ccccc1

STK580081
Synonyms: 7- (2- fluorophenyl)- 14H- chromeno[2',3':4,5]pyrimido[1,6- a]benzimidazol- 14- one
Smiles: Fc1ccccc1c1nc2oc3ccccc3c(=O)c2c2n1c1ccccc1n2

STK580083
Synonyms: 3- cyclopentyl- 2- (2- fluorophenyl)- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: Fc1ccccc1c1nc2n(C)c3ccccc3c(=O)c2c(=O)n1C1CCCC1

STK580085
Synonyms: 1,3- bis(4- methylphenyl)- 7'- nitro- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: Cc1ccc(cc1)N1C(=O)N(c2ccc(cc2)C)C(=O)C2(C1=O)Cc1cc(ccc1N1C2CCC1)[N+](=O)[O-]

STK580086
Synonyms: N- (2,4- dimethoxyphenyl)- 4- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanamide
Smiles: COc1cc(OC)ccc1NC(=O)CCCn1nnc2c(c1=O)cccc2

STK580087
Synonyms: 4- {[(E)- (2,4- dichlorophenyl)methylidene]amino}- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1Cl)Cl

STK580088
Synonyms: methyl4- [({4- [(4- oxoquinazolin- 3(4H)- yl)methyl]cyclohexyl}carbonyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK580089
Synonyms: N- (2,4- difluorophenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nnc1COc1ccccc1

STK580090
Synonyms: 2- (2,5- dichlorophenoxy)- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrimido[6,1- a]isoquinolin- 4- one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Oc2cc(Cl)ccc2Cl)nc1=O

STK580091
Synonyms: methylN- [(5- chloro- 2- methylphenyl)carbamoyl]- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1cc(Cl)ccc1C)C

STK580092
Synonyms: 8- (phenylsulfonyl)- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: O=S(=O)(c1ccccc1)N1CCc2c(C1)cc1c(c2)OCCCO1

STK580093
Synonyms: 2- {[4- ethyl- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- fluoro- 4- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1c1cccc(c1)C

STK580095
Synonyms: 1- (4- chlorophenyl)- 6,7- dimethyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)Cl)c(=O)c1c(o2)cc(c(c1)C)C

STK580096
Synonyms: N- (4- fluorophenyl)- 2- {[4- (4- methylphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK580097
Synonyms: (4- tert- butylphenyl)(6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccc(cc1)C(C)(C)C

STK580101
Synonyms: (4- methoxyphenyl)(3,5,6,7- tetrahydro- 1'H- spiro[imidazo[4,5- c]pyridine- 4,4'- piperidin]- 1'- yl)methanone
Smiles: COc1ccc(cc1)C(=O)N1CCC2(CC1)NCCc1c2[nH]cn1

STK580103
Synonyms: 3- [(3- chlorophenyl)sulfonyl]- 1- [2- (morpholin- 4- yl)ethyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: Clc1cccc(c1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)CCN1CCOCC1

STK580104
Synonyms: ethyl[3- (4- chlorophenyl)- 7- hydroxypyrazolo[1,5- a]pyrimidin- 5- yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(cn2)c1ccc(cc1)Cl

STK580105
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(4- methoxyphenyl)carbonyl]- 3'- (pyridin- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccn2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK580106
Synonyms: methyl{[4- (3- chlorophenyl)- 8- methyl- 5- oxo- 4,5,6,7,8,9- hexahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CCN(C3)C

STK580107
Synonyms: 6- methyl- 2- [(4- methylphenyl)amino]- 5- pentylpyrimidin- 4- ol
Smiles: CCCCCc1c(C)nc(nc1O)Nc1ccc(cc1)C

STK580108
Synonyms: 4- imino- 2- (4- methylphenyl)- 6,7,11,12- tetrahydro- 4H,10H- [1,4]dioxepino[2,3- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCCCOc2c1)c1ccc(cc1)C

STK580109
Synonyms: 10- (2- hydroxy- 4- methylphenyl)- 5- (4- methoxyphenyl)- 1,3- dimethyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1ccc(cc1O)C

STK580110
Synonyms: (4Z)- 2- (2,4- dichlorophenyl)- 4- (3,4- diethoxybenzylidene)- 1,3- oxazol- 5(4H)- one
Smiles: CCOc1cc(ccc1OCC)/C=C/1\N=C(OC1=O)c1ccc(cc1Cl)Cl

STK580111
Synonyms: (2Z)- 7- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 2- (2- methylbenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccccc1C)/C2=O

STK580112
Synonyms: 4- (2- methylpropyl)- 7- (piperidin- 1- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CC(Cc1nc2oc3c(c2c2c1CCC2)ncnc3N1CCCCC1)C

STK580113
Synonyms: N- [(2Z)- 6- chloro- 1,3- benzothiazol- 2(3H)- ylidene]- 2,6- dimethoxybenzamide
Smiles: COc1cccc(c1C(=O)/N=c/1\sc2c([nH]1)ccc(c2)Cl)OC

STK580114
Synonyms: methylN- [(2,3- dichlorophenyl)carbamoyl]- D- methioninate
Smiles: COC(=O)[C@H](NC(=O)Nc1cccc(c1Cl)Cl)CCSC

STK580115
Synonyms: (5E)- 5- {1- [(4- ethoxyphenyl)amino]propylidene}- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1ccc(cc1)N/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/CC

STK580120
Synonyms: (5Z)- 5- {[1- (4- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O

STK580121
Synonyms: 4- (2- methoxyphenyl)- 1,3- diphenyl- 4,5- dihydro- 1H- pyrazolo[3,4- b]pyridin- 6- ol
Smiles: COc1ccccc1C1CC(=Nc2c1c(nn2c1ccccc1)c1ccccc1)O

STK580125
Synonyms: 1- (4- fluorophenyl)- 2- (2- hydroxy- 2- phenylethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1ccc(cc1)C1N(CC(c2ccccc2)O)C(=O)c2c1c(=O)c1c(o2)cccc1

STK580126
Synonyms: 3- [2- (dimethylamino)ethyl]- 4- imino- 5- (4- methoxyphenyl)- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c(=N)n(cn2)CCN(C)C)O

STK580127
Synonyms: 4- [(2E)- 2- (2,3- dihydro- 1,4- benzodioxin- 6- ylmethylidene)hydrazinyl]- 5- phenylthieno[2,3- d]pyrimidine
Smiles: c1ccc(cc1)c1csc2c1c(N/N=C/c1ccc3c(c1)OCCO3)ncn2

STK580128
Synonyms: 6,7- dimethoxy- 1- methyl- 2- [(2,3,5,6- tetramethylphenyl)sulfonyl]- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1c(C)c(C)cc(c1C)C

STK580129
Synonyms: 5- [2- (benzyloxy)phenyl]- N'- [(E)- (2- methyl- 1H- indol- 3- yl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1OCc1ccccc1)N/N=C/c1c(C)[nH]c2c1cccc2

STK580131
Synonyms: methyl3- (8- cyclohexyl- 1,7- dimethyl- 2,4- dioxo- 1,2,4,8- tetrahydro- 3H- imidazo[2,1- f]purin- 3- yl)propanoate
Smiles: COC(=O)CCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)C1CCCCC1)C

STK580132
Synonyms: (3a'S,6a'R)- 7- chloro- 5'- (2- chlorobenzyl)- 3'- (1- hydroxyethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cccc1Cl)O

STK580134
Synonyms: [2- ({(2'S,3S,3'S,10b'R)- 2'- [(4- methylphenyl)carbonyl]- 2- oxo- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 3'- yl}carbonyl)phenoxy]acetonitrile
Smiles: N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)cccc3

STK580137
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2- methoxyphenyl)carbonyl]- 2'- (thiophen- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3

STK580138
Synonyms: 8- [2- (3,4- dimethoxyphenyl)ethyl]- 1,6,7- trimethyl- 3- (2- methylprop- 2- en- 1- yl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1cc(ccc1OC)CCn1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)CC(=C)C

STK580141
Synonyms: 3- methyl- N- [2- methyl- 5- (6- methyl[1,2,4]triazolo[3,4- a]phthalazin- 3- yl)benzyl]butanamide
Smiles: CC(CC(=O)NCc1cc(ccc1C)c1nnc2n1nc(C)c1c2cccc1)C

STK580143
Synonyms: 3,6- diamino- N- (1,3- benzodioxol- 5- ylmethyl)- 5- cyanothieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)NCc1ccc2c(c1)OCO2

STK580146
Synonyms: 2- [(11- methyl- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidin- 7- yl)sulfanyl]- 1- phenylethanone
Smiles: CC1CCc2c(C1)sc1c2c2ncnn2c2n1c(SCC(=O)c1ccccc1)nn2

STK580147
Synonyms: N- [3- (2- methoxyphenyl)- 3- methylpentyl]- 2- phenylacetamide
Smiles: COc1ccccc1C(CCNC(=O)Cc1ccccc1)(CC)C

STK580149
Synonyms: 3- [(3a'S,6a'R)- 5- fluoro- 2,4',6'- trioxo- 5'- (2- phenylethyl)- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(F)cc1

STK580150
Synonyms: methyl3- {[(4- methoxyphenyl)sulfonyl]amino}- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COc1ccc(cc1)S(=O)(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK580152
Synonyms: 2- chloro- 4- ({[(4- hydroxy- 6- methylpyrimidin- 2- yl)sulfanyl]acetyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(c(c1)Cl)C(=O)O)CSc1nc(C)cc(n1)O

STK580154
Synonyms: (5E)- 3- (4- fluorobenzyl)- 6- hydroxy- 5- [(2- phenylhydrazinyl)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C\NNc2ccccc2)/C1=O)O

STK580155
Synonyms: ethyl(3E)- 3- {2- [5- (4- chlorophenyl)thieno[2,3- d]pyrimidin- 4- yl]hydrazinylidene}butanoate
Smiles: CCOC(=O)C/C(=N/Nc1ncnc2c1c(cs2)c1ccc(cc1)Cl)/C

STK580156
Synonyms: tert- butyl(2- {5- [(3,4- dichlorobenzyl)sulfonyl]- 1,3,4- oxadiazol- 2- yl}ethyl)carbamate
Smiles: O=C(OC(C)(C)C)NCCc1nnc(o1)S(=O)(=O)Cc1ccc(c(c1)Cl)Cl

STK580158
Synonyms: (2E)- 3- (3,5- dichloro- 4- hydroxyphenyl)- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)Cl)O)/c1scc(n1)c1ccc(cc1)OC

STK580159
Synonyms: N- [2- chloro- 5- (trifluoromethyl)phenyl]- 6- (4- oxoquinazolin- 3(4H)- yl)hexanamide
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)CCCCCn1cnc2c(c1=O)cccc2

STK580161
Synonyms: (4Z)- 2- (5- chloro- 2- methoxyphenyl)- 4- {[(1,1- dioxidotetrahydrothiophen- 3- yl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1N1C(=O)/C(=C\NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2)Cl

STK580162
Synonyms: 7- (3- hydroxypropyl)- 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCCn1c(CN2CCN(CC2)c2ccc(cc2)OC)nc2c1c(=O)n(c(=O)n2C)C

STK580164
Synonyms: 4- (3- bromo- 4- methylphenyl)- 5- (1H- pyrazol- 5- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1Br)n1c(=S)[nH]nc1c1ccn[nH]1

STK580165
Synonyms: 6- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- [(2Z)- 4- (4- methylphenyl)- 1,3- thiazol- 2(3H)- ylidene]hexanamide
Smiles: O=C(/N=c/1\scc([nH]1)c1ccc(cc1)C)CCCCCN1C(=O)c2c(C1=O)cccc2

STK580166
Synonyms: 4- acetyl- 1- (2- bromoethyl)- 5- (2,4- dimethoxyphenyl)- 3- hydroxy- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: BrCCN1C(=O)C(=C(C1c1ccc(cc1OC)OC)C(=O)C)O

STK580167
Synonyms: 1- (4- chlorophenyl)- 2- hydroxy- 6- (1- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Clc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C(c1ccccc1)C

STK580169
Synonyms: 3- [(2- chlorobenzyl)sulfanyl]- 8,8- dimethyl- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridine- 6- carbonitrile
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCc3ccccc3Cl)nnc2c2c1CC(C)(C)OC2

STK580170
Synonyms: 12- (4- methoxyphenyl)- 2- (thiophen- 2- yl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: COc1ccc(cc1)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)c1cccs1

STK580171
Synonyms: 2- (1,3- benzodioxol- 5- yl)isoquinoline- 1,3(2H,4H)- dione
Smiles: O=C1Cc2ccccc2C(=O)N1c1ccc2c(c1)OCO2

STK580172
Synonyms: (5E)- 6- hydroxy- 3- (3- methylphenyl)- 5- [(morpholin- 4- ylamino)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C\NN2CCOCC2)/C1=O)O

STK580173
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (2- chlorophenyl)- 5- ethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl

STK580174
Synonyms: 6- {[2- ({[3- (4- fluorophenyl)- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl]acetyl}amino)butanoyl]amino}hexanoicacid
Smiles: CCC(C(=O)NCCCCCC(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F

STK580175
Synonyms: N- [3- (diethylamino)propyl]- 5,10- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CCN(CCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)CC2)CC

STK580177
Synonyms: N- [(2Z)- 3- (4- methoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- phenylacetamide
Smiles: COc1ccc(cc1)CN1/C(=N/C(=O)Cc2ccccc2)/SC2C1CS(=O)(=O)C2

STK580178
Synonyms: 1- (3- ethoxy- 4- hydroxyphenyl)- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cc(ccc1O)C1N(c2nc3c(s2)cc(cc3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK580179
Synonyms: 2- [4- (3- methoxyphenyl)piperazin- 1- yl]- N- [(2E)- 6- methyl- 1,3- benzothiazol- 2(3H)- ylidene]acetamide
Smiles: COc1cccc(c1)N1CCN(CC1)CC(=O)/N=c\1/sc2c([nH]1)ccc(c2)C

STK580181
Synonyms: N- {(1Z)- 1- [2- (butylamino)- 1- cyano- 2- oxoethylidene]- 1H- isoindol- 3- yl}- 3- nitrobenzamide
Smiles: CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-])/C#N

STK580183
Synonyms: N- (cyclopropylcarbamoyl)- L- phenylalanine
Smiles: OC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CC1

STK580184
Synonyms: 5- (4- ethoxyphenyl)- 4- {[(E)- (4- methoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)OC

STK580185
Synonyms: 7- bromo- 1- (2,5- dimethoxyphenyl)- 2- (2- hydroxyethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1cc(OC)ccc1OC)c(=O)c1c(o2)ccc(c1)Br

STK580186
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 8- [(2E)- 2- (pyridin- 4- ylmethylidene)hydrazinyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(N/N=C/c2ccncc2)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)C

STK580187
Synonyms: (4Z)- 6- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 4- [(4- methylphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)c1cccc(c1)Cl

STK580188
Synonyms: 8- {[benzyl(methyl)ammonio]methyl}- 3- (2- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: COc1ccccc1c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](Cc1ccccc1)C)[O-]

STK580189
Synonyms: 6- (2,4- dimethoxyphenyl)- 9- [4- (propan- 2- yl)phenyl]- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(c(c1)OC)C1CC(=C2C(=Nc3n(C2c2ccc(cc2)C(C)C)ncn3)C1)O

STK580190
Synonyms: N- (4- {[(3Z)- 1- ethyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]sulfamoyl}phenyl)acetamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NC(=O)C)/c2c1nc1c(C)cccc1c2

STK580191
Synonyms: 4- hydroxy- 8- [3- (1H- imidazol- 1- yl)propyl]- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Oc1nc(=O)n(c2c1n1cc(n(c1n2)CCCn1cncc1)C)C

STK580192
Synonyms: 3- (2- chloro- 6- fluorobenzyl)- 1,7- dimethyl- 8- (tetrahydrofuran- 2- ylmethyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Fc1cccc(c1Cn1c(=O)c2n3cc(n(c3nc2n(c1=O)C)CC1CCCO1)C)Cl

STK580194
Synonyms: 1- (2,3- dimethoxyphenyl)- 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1c(OC)cccc1C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK580195
Synonyms: N- benzyl- 4- chloro- 3- [(6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)carbonyl]- N- methylbenzenesulfonamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1cc(ccc1Cl)S(=O)(=O)N(Cc1ccccc1)C

STK580197
Synonyms: 10- (3- chlorophenyl)- 1,3- dimethyl- 5- phenyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Clc1cccc(c1)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK580198
Synonyms: (5E)- 1- (3- methoxyphenyl)- 5- [(morpholin- 4- ylamino)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COc1cccc(c1)N1C(=NC(=O)/C(=C\NN2CCOCC2)/C1=O)S

STK580199
Synonyms: 3,6,6- trimethyl- 4- oxo- N- [4- (trifluoromethoxy)phenyl]- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)Nc1ccc(cc1)OC(F)(F)F

STK580200
Synonyms: N- (2- bromophenyl)- 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2Br)nnc1COc1ccccc1

STK580203
Synonyms: 1- {[7- (2- chlorobenzyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]methyl}piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK580205
Synonyms: (3a'S,6a'R)- 3'- benzyl- 5'- tert- butyl- 5- methyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Cc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C(C)(C)C)Cc1ccccc1)C(=O)N2

STK580206
Synonyms: N- (1- imino- 1,3- dihydro- 2H- isoindol- 2- yl)acetamide
Smiles: CC(=O)NN1Cc2c(C1=N)cccc2

STK580207
Synonyms: N- [1- (furan- 2- ylmethyl)- 2- hydroxy- 4,6- dioxo- 5- (trifluoromethyl)- 4,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]- 4- methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)NC1(C(=O)Nc2c1c(=O)nc(n2Cc1ccco1)O)C(F)(F)F

STK580208
Synonyms: 2- [4- (diphenylmethyl)piperazin- 1- yl]- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrimido[6,1- a]isoquinolin- 4- one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(nc1=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK580210
Synonyms: N- butyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: CCCCN(S(=O)(=O)c1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O

STK580211
Synonyms: N- [3- (1H- indol- 3- yl)propanoyl]glycine
Smiles: O=C(CCc1c[nH]c2c1cccc2)NCC(=O)O

STK580212
Synonyms: 11- (4- hydroxyphenyl)- 3,3- dimethyl- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: Oc1ccc(cc1)C1Nc2ccccc2N=C2C1=C(O)CC(C2)(C)C

STK580213
Synonyms: 1- (1,3- benzodioxol- 5- yl)- N- [(2S)- 1- (cyclohexylamino)- 1- oxopropan- 2- yl]- 5- oxopyrrolidine- 3- carboxamide
Smiles: O=C([C@@H](NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCO2)C)NC1CCCCC1

STK580214
Synonyms: N'- [(E)- (2- chloro- 8- methylquinolin- 3- yl)methylidene]pyridine- 4- carbohydrazide
Smiles: Clc1nc2c(C)cccc2cc1/C=N/NC(=O)c1ccncc1

STK580216
Synonyms: 3- (pyridin- 2- ylmethyl)- 3,4,8,9- tetrahydro- 2H- cyclopenta[3,4]chromeno[8,7- e][1,3]oxazin- 6(7H)- one
Smiles: O=c1oc2c3CN(COc3ccc2c2c1CCC2)Cc1ccccn1

STK580217
Synonyms: (5Z)- 6- hydroxy- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)- 3- [3- (trifluoromethyl)phenyl]pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C/NN2CCCCC2c2cccnc2)/C(=O)N1c1cccc(c1)C(F)(F)F

STK580218
Synonyms: 9- (3,4- dimethoxyphenyl)- 2- (ethylsulfanyl)- 6,6- dimethyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nc2n(n1)C(c1ccc(c(c1)OC)OC)C1=C(O)CC(CC1=N2)(C)C

STK580219
Synonyms: 3- cyclohexyl- 10- methyl- 2- (3- nitrophenyl)pyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: [O-][N+](=O)c1cccc(c1)c1nc2c(c(=O)n1C1CCCCC1)c(=O)c1c(n2C)cccc1

STK580221
Synonyms: (4E)- 5- methyl- 2- phenyl- 4- {[(4- phenylquinolin- 8- yl)amino]methylidene}- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=C/Nc1cccc2c1nccc2c1ccccc1)c1ccccc1

STK580223
Synonyms: (5Z)- 1- benzyl- 5- [5- (4- ethoxyphenyl)- 1- phenylpyrazolidin- 3- ylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)C1C/C(=C/2\C(=O)NC(=O)N(C2=O)Cc2ccccc2)/NN1c1ccccc1

STK580224
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK580225
Synonyms: (3a'R,8b'S)- 2'- (butan- 2- yl)- 5- chloro- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(Cl)cc2)C

STK580226
Synonyms: (3S,3a'R,8a'S,8b'S)- 5- ethyl- 2'- (2- fluorophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F

STK580227
Synonyms: N- [3- (2,3,5,9- tetramethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]- beta- alanyl- S- benzyl- L- cysteine
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)NCCC(=O)N[C@H](C(=O)O)CSCc1ccccc1

STK580228
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- [(4- propoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK580229
Synonyms: 7- benzyl- 8- [4- (2- fluorobenzyl)piperazin- 1- yl]- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Fc1ccccc1CN1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C

STK580232
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (3,4- diethoxyphenyl)- 5- (2- hydroxyethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)OCC)c([nH]n2)c1cc(Cl)c(cc1O)C

STK580233
Synonyms: (3a'S,6a'R)- 5- chloro- 5'- [2- (3,4- dimethoxyphenyl)ethyl]- 3'- (propan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3C(C)C)C(=O)Nc3c2cc(Cl)cc3)ccc1OC

STK580235
Synonyms: 1- {[3- (2- chlorophenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]methyl}- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccccc1C1=NOC(C1)Cn1c(=O)c2n(C)cnc2n(c1=O)C

STK580237
Synonyms: 4- {[(E)- (2- hydroxyphenyl)methylidene]amino}- 5- (4- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1O

STK580238
Synonyms: methyl6'- amino- 5'- cyano- 2'- (2- methoxy- 2- oxoethyl)- 7- methyl- 2- oxo- 1,2- dihydrospiro[indole- 3,4'- pyran]- 3'- carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C21C(=O)Nc1c2cccc1C)C#N)N

STK580239
Synonyms: 9- (3,5- dimethylphenyl)- 3- (3- hydroxypropyl)- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1cc(C)cc(c1)C

STK580241
Synonyms: 7- ethyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- [3- (prop- 2- en- 1- yloxy)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: C=CCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)CC

STK580242
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(c(c1)OC)OC

STK580243
Synonyms: 4- bromo- N- [(3E)- 1- butyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: CCCCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)Br)/c2c1nc1ccccc1c2

STK580244
Synonyms: N- [(3E)- 1- ethyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- methoxybenzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c\1/[nH]n(c2c1cc1cccc(c1n2)C)CC

STK580245
Synonyms: (4Z)- 4- (3,4- diethoxy- 5- iodobenzylidene)- 2- (furan- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: CCOc1cc(/C=C/2\N=C(OC2=O)c2ccco2)cc(c1OCC)I

STK580246
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- bromo- 2- fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)Br)CSc1nnc(n1N)c1n[nH]c(c1)C

STK580247
Synonyms: (3a'S,6a'R)- 5- bromo- 5'- butyl- 3'- (1- hydroxyethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Br)cc2

STK580248
Synonyms: methylN- {(E)- [4- hydroxy- 1- (4- iodophenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)I)O

STK580249
Synonyms: (4Z)- 4- (hydroxyimino)- 3,6,6- trimethyl- N- [3- (morpholin- 4- yl)propyl]- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)NCCCN1CCOCC1

STK580251
Synonyms: 6- benzyl- 3- (3,4- dimethoxyphenyl)- 5- methylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: COc1cc(ccc1OC)c1cnn2c1nc(C)c(c2O)Cc1ccccc1

STK580253
Synonyms: (E)- {2- (3,4- diethoxyphenyl)- 1- [2- (morpholin- 4- ium- 4- yl)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2,3- dihydro- 1,4- benzodioxin- 6- yl)methanolate
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

STK580254
Synonyms: 4- amino- 5- [(1S)- 1- amino- 3- methylbutyl]- 4H- 1,2,4- triazole- 3- thiol
Smiles: N[C@H](c1nnc(n1N)S)CC(C)C

STK580255
Synonyms: 7- (4- bromophenyl)- 3- (4- chlorophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Clc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc(cc1)Br

STK580256
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(4- ethylphenyl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(cc1)CC

STK580257
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3,4- dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK580258
Synonyms: N- (3- chlorophenyl)- 6- methoxy- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)Nc1cccc(c1)Cl

STK580260
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- ethylphenyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK580262
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK580265
Synonyms: 1- (3- ethoxyphenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK580266
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[methyl(phenyl)amino]methyl}- N'- [(1E)- 1- (naphthalen- 2- yl)ethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CN(c1ccccc1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc2c(c1)cccc2)\C

STK580267
Synonyms: 2,6- dihydroxy- 5- [(2E)- 3- (4- methoxyphenyl)prop- 2- enoyl]- 3- (prop- 2- en- 1- yl)pyrimidin- 4(3H)- one
Smiles: C=CCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc(cc1)OC)O

STK580268
Synonyms: 3- (furan- 2- ylmethyl)- 2- (2- methylphenyl)- 4H- thiochromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: Cc1ccccc1c1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1

STK580269
Synonyms: 3- butyl- 2- (4- fluorophenyl)- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)F

STK580272
Synonyms: 5- (2- bromophenyl)- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2n[nH]c(c2)c2ccccc2Br)ccc1OC

STK580273
Synonyms: 2,2- dimethyl- 5- (2- methylpropyl)- N- [2- (morpholin- 4- yl)ethyl]- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: CC(Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCN1CCOCC1)C

STK580274
Synonyms: 1'- butyl- 6- hydroxy- 3- (3- methylphenyl)- 6'- nitro- 2'- propyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCCCN1c2ccc(cc2CC2(C1CCC)C(=NC(=O)N(C2=O)c1cccc(c1)C)O)[N+](=O)[O-]

STK580275
Synonyms: 16- (4- methoxyphenyl)- 3,3- dimethyl- 2,3,4,6,7,11,12,16- octahydro- 1H,10H- [1,4]dioxepino[2',3':6,7]isoquino[2,1- a]quinolin- 1- one
Smiles: COc1ccc(cc1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCCCOc2c1

STK580277
Synonyms: 5- [(5- bromo- 2- methoxybenzyl)amino]- 2- (morpholin- 4- ium- 4- yl)benzoate
Smiles: COc1ccc(cc1CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1)Br

STK580278
Synonyms: 3,4- dimethyl- 9- (pyridin- 4- ylmethyl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: O=c1oc2c3CN(COc3ccc2c(c1C)C)Cc1ccncc1

STK580279
Synonyms: methyl2- {[(Z)- 2- {4- [4- (acetyloxy)phenyl]- 1,3- thiazol- 2- yl}- 2- cyanoethenyl]amino}- 4,5- dimethylthiophene- 3- carboxylate
Smiles: N#C/C(=C/Nc1sc(c(c1C(=O)OC)C)C)/c1scc(n1)c1ccc(cc1)OC(=O)C

STK580280
Synonyms: tert- butyl(3S)- 3- [(2- oxo- 2- {[4- (propan- 2- yl)phenyl]amino}ethyl)carbamoyl]- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: O=C(Nc1ccc(cc1)C(C)C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK580281
Synonyms: 4- {(2E)- 2- [(3,5- dimethyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]hydrazinyl}- 5- phenylthieno[2,3- d]pyrimidine
Smiles: Cc1nn(c(c1/C=N/Nc1ncnc2c1c(cs2)c1ccccc1)C)c1ccccc1

STK580284
Synonyms: (3a'S,6a'R)- 3'- (1H- indol- 3- ylmethyl)- 6,7- dimethyl- 5'- phenyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1C(Cc1c[nH]c3c1cccc3)NC12C(=O)Nc2c1ccc(c2C)C

STK580287
Synonyms: N- (2- chlorophenyl)- 4- (4- oxoquinazolin- 3(4H)- yl)butanamide
Smiles: O=C(Nc1ccccc1Cl)CCCn1cnc2c(c1=O)cccc2

STK580290
Synonyms: (2Z)- 1- [2- (4- ethylphenyl)- 4- methyl- 1,3- thiazol- 5- yl]- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)ethanone
Smiles: CCc1ccc(cc1)c1nc(c(s1)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2)C

STK580291
Synonyms: methyl4- ({7- hydroxy- 8- [(3- methylpiperidin- 1- yl)methyl]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2CN1CCCC(C1)C)O

STK580292
Synonyms: 2- [(3a'S,6a'R)- 5- bromo- 5'- (3- methoxypropyl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(Br)cc2

STK580294
Synonyms: 2- {(3aR,4R,4aR,7aS,8R,8aR)- 3- [4- (benzyloxy)phenyl]- 5,7- dioxo- 3a,4,4a,5,7,7a,8,8a- octahydro- 6H- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 6- yl}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)OCc1ccccc1

STK580295
Synonyms: 2- [(E)- (1- butyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]- N- phenylhydrazinecarbothioamide
Smiles: CCCCN1C(=O)N=C(/C(=C\NNC(=S)Nc2ccccc2)/C1=O)O

STK580296
Synonyms: 4- {[(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1

STK580297
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- (2,5- dimethoxyphenyl)- 6- methyl- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: COc1ccc(cc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C)OC

STK580299
Synonyms: (3E)- 4- imino- 7,8- dimethyl- 3- (1H- pyrrol- 2- ylmethylidene)- 3,4- dihydro- 2H- pyrimido[2,1- b][1,3]benzothiazol- 2- one
Smiles: O=C1N=c2sc3c(n2C(=N)/C/1=C\c1ccc[nH]1)cc(c(c3)C)C

STK580300
Synonyms: (5Z)- 3- (3- chlorophenyl)- 2- hydroxy- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Clc1cccc(c1)N1C(=N/C(=C\c2cn(c3c2cccc3)C)/C1=O)O

STK580301
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK580304
Synonyms: 2- hydroxy- 7- methoxy- 3- ({(E)- [4- (prop- 2- en- 1- yloxy)phenyl]methylidene}amino)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: C=CCOc1ccc(cc1)/C=N/n1c(O)nc2c(c1=O)[nH]c1c2ccc(c1)OC

STK580305
Synonyms: N- [3- (2- fluorophenyl)- 1- methyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]- 2- methylpropanamide
Smiles: O=C(C(C)C)Nc1c(c2ccccc2F)c(=O)c2c(n1C)cccc2

STK580306
Synonyms: 4- [(E)- {[3- (furan- 2- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccco1

STK580307
Synonyms: 8- methoxy- 3- pentyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)OC

STK580308
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK580309
Synonyms: 4- (4- methoxyphenyl)- 1- phenyl- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1ccccc1

STK580311
Synonyms: 1- {(2E)- 2- [(1- benzyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]hydrazinyl}- 2- ethyl- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1c(C)nn(c1C)Cc1ccccc1)c1ccccc1n2

STK580312
Synonyms: 8- [(2E)- 2- (4- bromobenzylidene)hydrazinyl]- 6- hydroxy- 7- [2- hydroxy- 3- (propan- 2- yloxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)Br)nc2c1c(O)nc(=O)n2C)COC(C)C

STK580313
Synonyms: methylN- {[3- (acetylamino)phenyl]carbamoyl}- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(c1)NC(=O)C

STK580314
Synonyms: 4- methoxy- N- (naphthalen- 2- yl)- 1H- indole- 2- carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)Nc1ccc2c(c1)cccc2

STK580316
Synonyms: 3- (naphthalen- 2- yl)- 2- oxo- 2H- chromen- 7- yltrans- 4- {[(tert- butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
Smiles: O=C(OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1ccc2c(c1)cccc2

STK580317
Synonyms: 9- hydroxy- 7,7- dimethyl- 10- (4- nitrophenyl)- 6,7,8,10- tetrahydro- 11H- indeno[1,2- b]quinolin- 11- one
Smiles: OC1=C2C(=NC3=C(C2c2ccc(cc2)[N+](=O)[O-])C(=O)c2c3cccc2)CC(C1)(C)C

STK580319
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(C)C)nnc1c1ccccc1

STK580321
Synonyms: (2Z)- N- (2- fluorobenzyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)ethanamide
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)NCc1ccccc1F

STK580322
Synonyms: N- [5- hydroxy- 2- (4- methoxyphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 3- phenylpropanamide
Smiles: COc1ccc(cc1)c1nn2c(n1)nc(cc2NC(=O)CCc1ccccc1)O

STK580324
Synonyms: 2- hydroxy- 1- (4- methylphenyl)- 6- (2- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK580325
Synonyms: 4,5,6- trimethoxy- N- [3- (trifluoromethyl)phenyl]- 1H- indole- 2- carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)Nc1cccc(c1)C(F)(F)F

STK580326
Synonyms: N- [(2E)- 3- (3- chlorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- phenylacetamide
Smiles: O=C(/N=C\1/SC2C(N1c1cccc(c1)Cl)CS(=O)(=O)C2)Cc1ccccc1

STK580328
Synonyms: 4- [(4Z)- 4- (1,3- benzodioxol- 5- ylmethylidene)- 5- oxo- 2- phenyl- 4,5- dihydro- 1H- imidazol- 1- yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)/N=C1c1ccccc1

STK580329
Synonyms: N- [4- (4- chlorophenyl)- 6- methyl- 2- (4- methylphenyl)- 5- oxo- 2,5- dihydropyridazin- 3- yl]butanamide
Smiles: CCCC(=O)Nc1n(nc(c(=O)c1c1ccc(cc1)Cl)C)c1ccc(cc1)C

STK580330
Synonyms: 3- (2- methoxyethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COCCn1cnc2c(c1=O)[nH]c1c2cccc1

STK580331
Synonyms: 2- (4- fluorophenyl)- 3- (3- methoxypropyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccc(cc1)F

STK580332
Synonyms: N- [6- chloro- 3- (3,4- dimethoxyphenyl)- 4- oxo- 4H- chromen- 2- yl]cyclohexanecarboxamide
Smiles: COc1cc(ccc1OC)c1c(NC(=O)C2CCCCC2)oc2c(c1=O)cc(cc2)Cl

STK580333
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- methylphenyl)carbonyl]- 2'- (thiophen- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Cc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3

STK580335
Synonyms: 2- {[4- (3- chlorophenyl)- 8- methyl- 5- oxo- 4,5,6,7,8,9- hexahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCC(=O)N)nn2)c1cccc(c1)Cl

STK580337
Synonyms: 4- [3- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- dimethylaniline
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)N(C)C

STK580339
Synonyms: ethyl3- {[(2S)- 3- methyl- 2- (4- oxoquinazolin- 3(4H)- yl)butanoyl]amino}benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)[C@@H](n1cnc2c(c1=O)cccc2)C(C)C

STK580344
Synonyms: 3- (3- chlorophenyl)- 5- [(3- fluorobenzyl)sulfanyl]- 4- methyl- 4H- 1,2,4- triazole
Smiles: Fc1cccc(c1)CSc1nnc(n1C)c1cccc(c1)Cl

STK580345
Synonyms: methylN- [(E)- {4- hydroxy- 2,6- dioxo- 1- [3- (trifluoromethyl)phenyl]- 1,6- dihydropyrimidin- 5(2H)- ylidene}methyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F)O

STK580346
Synonyms: N- (2- bromophenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccccc1Br)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK580348
Synonyms: N- (pyridin- 2- ylmethyl)- 2- [(3,4,8- trimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanamide
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)c(c2C)C)C)NCc1ccccn1

STK580349
Synonyms: (4E)- 5- (2- fluorophenyl)- 4- [hydroxy(4- methoxyphenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)NC1c1ccccc1F)/O

STK580350
Synonyms: 3- (4- chlorophenyl)- 7- (naphthalen- 2- yl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Clc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc2c(c1)cccc2

STK580351
Synonyms: N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]- 5- (tetrahydrofuran- 2- ylmethyl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: C1COC(C1)CN1CNC(=NC1)/N=c/1\sc2c([nH]1)cccc2

STK580352
Synonyms: N,4- bis(4- methylphenyl)- 1- [4- (propan- 2- yl)phenyl]- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1c(c2ccc(cc2)C(C)C)c2c3n1cc(n3CCCC2)c1ccc(cc1)C

STK580353
Synonyms: 1- (4- fluorophenyl)- 2- {[5- (3- methylphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nnc1c1cccc(c1)C

STK580356
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nnc1c1cccc(c1)C

STK580357
Synonyms: 8- (3- methoxypropyl)- 1,6,7- trimethyl- 3- (3- phenylpropyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCCn1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)CCCc1ccccc1

STK580358
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)propanamide
Smiles: CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)Cc1cccnc1

STK580359
Synonyms: 6- hydroxy- 7- (2- methoxyethyl)- 3- methyl- 8- (piperidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: COCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1

STK580361
Synonyms: methylN- {(E)- [4- hydroxy- 1- (2- methoxyphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1OC)O

STK580362
Synonyms: N- [1- (2- chlorobenzyl)- 2- hydroxy- 5- oxo- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]benzamide
Smiles: OC1=NC(C(=O)N1Cc1ccccc1Cl)(NC(=O)c1ccccc1)C(F)(F)F

STK580363
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 5- methoxy- N,3- dimethyl- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)N(C1CCS(=O)(=O)C1)C

STK580364
Synonyms: N- (6- chloro- 1,3- benzothiazol- 2- yl)- 5- (2- hydroxy- 3,5- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1sc2c(n1)ccc(c2)Cl)O

STK580365
Synonyms: 6- hydroxy- 7- [2- (4- methoxyphenyl)ethyl]- 8- [(3- methoxypropyl)amino]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: COCCCNc1nc2c(n1CCc1ccc(cc1)OC)c(O)nc(=O)n2C

STK580367
Synonyms: (4E)- 5- (2,5- dimethoxyphenyl)- 4- {hydroxy[4- (2- methylpropoxy)phenyl]methylidene}- 1- (3- methoxypropyl)pyrrolidine- 2,3- dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC(C)C)/O)/C1c1cc(OC)ccc1OC

STK580374
Synonyms: 4- [4- (2,4- dichlorobenzyl)piperazin- 1- yl][1]benzofuro[3,2- d]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CN1CCN(CC1)c1ncnc2c1oc1c2cccc1

STK580375
Synonyms: 5- (2- methylpropyl)- N- (pyridin- 4- ylmethyl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinolin- 8- amine
Smiles: CC(Cc1nc2oc3c(c2c2c1CCCC2)ncnc3NCc1ccncc1)C

STK580376
Synonyms: N- (3- bromophenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nnc(n1c1ccccc1)c1cnccn1

STK580377
Synonyms: 2,6,6- trimethyl- 3- phenyl- 9- (pyridin- 3- yl)- 5,6,7,9- tetrahydropyrazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2cccnc2)nc(c3c2ccccc2)C)CC(C1)(C)C

STK580378
Synonyms: 2- (6- chloro- 7- hydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)NCc1cccnc1

STK580379
Synonyms: (5E)- 3- butyl- 5- {1- [(3,3- diphenylpropyl)amino]propylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NCCC(c2ccccc2)c2ccccc2)/CC)/C1=O)O

STK580380
Synonyms: 7'- {(E)- [1- (butan- 2- yl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: CCC(N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O)C

STK580381
Synonyms: 3- butyl- 10- methyl- 2- (thiophen- 2- yl)pyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccs1

STK580382
Synonyms: 2- methoxyethyl2- amino- 4- (2,3- dichlorophenyl)- 6- (hydroxymethyl)- 8- oxo- 4,8- dihydropyrano[3,2- b]pyran- 3- carboxylate
Smiles: COCCOC(=O)C1=C(N)Oc2c(C1c1cccc(c1Cl)Cl)oc(cc2=O)CO

STK580383
Synonyms: 4- {[(E)- (4- methylphenyl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C

STK580384
Synonyms: 4- {[(E)- (2- chloro- 6- fluorophenyl)methylidene]amino}- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl

STK580385
Synonyms: ethyl6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (2- fluorophenyl)- 2- hydroxy- 3,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1C(=NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1cccc(c1)Cl)O

STK580386
Synonyms: 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nnc1COc1ccc(cc1)C

STK580387
Synonyms: 2- [2- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- oxoethyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)CN1C(=O)c2c(C1=O)cccc2

STK580388
Synonyms: (2Z)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- 1- {1- [(2- fluorophenyl)sulfonyl]piperidin- 4- yl}ethanone
Smiles: COc1cc2/C(=C/C(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3F)/NCCc2cc1OC

STK580389
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(3,4- dimethoxyphenyl)carbonyl]- 3'- [(4- fluorophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(cc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)F)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK580390
Synonyms: 2,5,9- trimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)C

STK580392
Synonyms: (3,5- dimethylphenyl)(3,5,6,7- tetrahydro- 1'H- spiro[imidazo[4,5- c]pyridine- 4,4'- piperidin]- 1'- yl)methanone
Smiles: Cc1cc(C)cc(c1)C(=O)N1CCC2(CC1)NCCc1c2[nH]cn1

STK580394
Synonyms: 3- butyl- 8- (3- chloro- 2- methylphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1C)Cl

STK580396
Synonyms: 4- (3,4- dimethylphenoxy)- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(Oc2ccc(c(c2)C)C)c2c(n1)cccc2)C

STK580397
Synonyms: propan- 2- yl{[4- (4- chlorophenyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetate
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)OC(C)C

STK580398
Synonyms: (5E)- 6- hydroxy- 3- (4- methoxyphenyl)- 5- [(piperidin- 1- ylamino)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C\NN2CCCCC2)/C1=O)O

STK580400
Synonyms: 2- methoxy- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: COCC(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)Cc1cccnc1

STK580401
Synonyms: N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methoxyphenyl)- 4- methylbenzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)C)Cc1cc2cc(OC)ccc2[nH]c1=O

STK580402
Synonyms: 2- {[2- (3- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- 1- phenylethanone
Smiles: COc1cccc(c1)c1nc(SCC(=O)c2ccccc2)c2c(n1)CC(OC2)(C)C

STK580403
Synonyms: 3- (furan- 2- ylmethyl)- 2- (propan- 2- yl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CC(c1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1)C

STK580404
Synonyms: 2- {[3- chloro- 4- (morpholin- 4- yl)phenyl]amino}- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrimido[6,1- a]isoquinolin- 4- one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Nc2ccc(c(c2)Cl)N2CCOCC2)nc1=O

STK580407
Synonyms: 3- benzyl- 2- (4- bromophenyl)- 8- methoxy- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COc1ccc2c(c1)oc1c(c2=O)c(=O)n(c(n1)c1ccc(cc1)Br)Cc1ccccc1

STK580408
Synonyms: (5E)- 5- [(1- benzyl- 1,2,3,4- tetrahydroquinolin- 6- yl)methylidene]- 1- methyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CN1C(=NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O)S

STK580410
Synonyms: (4E)- 4- {[(2,4- dimethoxyphenyl)amino]methylidene}- 2- (3,4- dimethylphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(c(c1)OC)N/C=C\1/C(=O)N(c2ccc(c(c2)C)C)C(=O)c2c1cccc2

STK580411
Synonyms: 4- methoxy- N- (2- methylpropyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)CC(C)C

STK580412
Synonyms: 4- {(3Z)- 3- [(2E)- 3,7- dimethylocta- 2,6- dien- 1- ylidene]- 2,5- dioxopyrrolidin- 1- yl}phenylacetate
Smiles: C/C(=C\C=C/1\CC(=O)N(C1=O)c1ccc(cc1)OC(=O)C)/CCC=C(C)C