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

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STK584761
Synonyms: 1- (6- methylpyridin- 2- yl)- 6- (2- phenylethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1cccc(n1)n1c(S)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK584762
Synonyms: 1- methyl- 3- (naphthalen- 1- ylmethyl)- 8- phenyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: O=c1n(Cc2cccc3c2cccc3)c(=O)c2c(n1C)nc1n2CCN1c1ccccc1

STK584765
Synonyms: 6- chloro- 3,4- dimethyl- 9- (3,4,5- trimethoxybenzyl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: COc1cc(CN2COc3c(C2)c2oc(=O)c(c(c2cc3Cl)C)C)cc(c1OC)OC

STK584766
Synonyms: 1- (3- chloro- 4- fluorophenyl)- 4- (3- methoxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1cccc(c1)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(c(c1)Cl)F

STK584767
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(1- phenylcyclopropyl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C1(CC1)c1ccccc1

STK584768
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2OC)nnc1COc1ccccc1

STK584769
Synonyms: 9- (4- fluorophenyl)- 1- methyl- 3- (2- methylprop- 2- en- 1- yl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CC(=C)Cn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)F

STK584770
Synonyms: [(3E)- 3- [hydroxy(phenyl)methylidene]- 2- (4- nitrophenyl)- 4,5- dioxopyrrolidin- 1- yl]aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)[N+](=O)[O-]

STK584771
Synonyms: 5- (3- fluorophenyl)- 3- (2- hydroxyphenyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: Fc1cccc(c1)N1C(=O)C2C(C1=O)C(NC2C(=O)O)c1ccccc1O

STK584773
Synonyms: (2E)- 3- [3- (4- chlorophenyl)- 1- phenyl- 1H- pyrazol- 4- yl]- 2- (4- hydroxyquinazolin- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/c1nc(O)c2c(n1)cccc2

STK584774
Synonyms: N- (2,5- dimethoxybenzyl)- N',N'- dimethyl- N- prop- 2- en- 1- ylsulfuricdiamide
Smiles: C=CCN(S(=O)(=O)N(C)C)Cc1cc(OC)ccc1OC

STK584776
Synonyms: (2Z)- 2- (2- chloro- 6- fluorobenzylidene)- 7- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1c(F)cccc1Cl)/C2=O

STK584777
Synonyms: (4E)- 1- (4- fluorophenyl)- 4- [hydroxy(4- methylphenyl)methylidene]- 5- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1ccc(cc1)F

STK584780
Synonyms: 7- [(2,4- dichlorobenzyl)sulfanyl]- 2,12,12- trimethyl- 12,13- dihydro- 10H- pyrano[4',3':4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CC(OC3)(C)C

STK584781
Synonyms: 8- [(E)- (1- butyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]- 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: CCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=O)N(C)C(=O)N(C2=O)C)/C1=O

STK584782
Synonyms: N- (2- hydroxypropyl)- 10- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CC(CNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CC(C)CC2)O

STK584784
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- cyclohexylacetamide
Smiles: O=C(NC1CCCCC1)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK584785
Synonyms: 7- (3- chlorobenzyl)- 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1cccc(c1)Cl)c(=O)n(c(=O)n2C)C

STK584786
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 6- benzyl- 3- (4- chlorophenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: Clc1ccc(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)Cc1ccccc1

STK584787
Synonyms: N- (3,5- dichlorophenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1c1ccccc1)c1ccccn1

STK584789
Synonyms: 3- [(3- bromobenzyl)sulfanyl]- 5- (4- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazole
Smiles: Clc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1cccc(c1)Br

STK584790
Synonyms: (1'S,2'S,3R,3a'R)- 1'- acetyl- 2'- [(4- chlorophenyl)carbonyl]- 7'- methyl- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)C)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C

STK584791
Synonyms: (1'R,2'R)- 1'- acetyl- 7'- methyl- 2'- phenyl- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: CC(=O)[C@@H]1N2c3ccc(cc3C=CC2[C@@]2([C@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)C

STK584793
Synonyms: 8- chloro- 3- [3- (dibutylamino)propyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCN(CCCC)CCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK584798
Synonyms: N- (4- butylphenyl)- 2- {[4- (4- chlorophenyl)- 5- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)C

STK584801
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- cyano- 5- hydroxy- 4- (4- methylphenyl)- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)N=C2C(=C(O)CCC2)C1c1ccc(cc1)C

STK584803
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4- methoxy- 1H- indole- 2- carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)NCCC1=CCCCC1

STK584804
Synonyms: 3- (furan- 2- yl)- 12- phenyl- 2,3,4,12- tetrahydrobenzimidazo[2,1- b]quinazolin- 1- ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccc2)c2ccccc2n3)CC(C1)c1ccco1

STK584808
Synonyms: 3- (3- chlorophenyl)- 2- [(3- methoxypropyl)amino]- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COCCCNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C

STK584809
Synonyms: 4- {[(E)- (3,4- dimethoxyphenyl)methylidene]amino}- 5- (3- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)OC)OC

STK584811
Synonyms: 3- [3- (dibutylamino)propyl]- 7- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCN(CCCC)CCCn1cnc2c(c1=O)[nH]c1c2ccc(c1)C

STK584812
Synonyms: 1- methyl- 3- (2- methylbenzyl)- 8- (2- methylphenyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Cc1ccccc1Cn1c(=O)c2n3CCN(c3nc2n(c1=O)C)c1ccccc1C

STK584813
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (4- methylphenyl)propylidene]- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)C)\CC

STK584815
Synonyms: ethyl4- [(3a'S,6a'R)- 7- chloro- 3'- (3,4- dihydroxybenzyl)- 5- methyl- 2,4',6'- trioxo- 1,2,2',3',3a',4',6',6a'- octahydro- 5'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 5'- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(C)cc2Cl

STK584816
Synonyms: 4- hydroxy- 8- (2- methoxyethyl)- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: COCCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK584818
Synonyms: methylN- {[(3R,5S)- 3,5- dimethylpiperidin- 1- yl]carbonyl}- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)N1C[C@H](C)C[C@@H](C1)C

STK584819
Synonyms: (4E)- 5- (4- fluorophenyl)- 4- [hydroxy(4- methylphenyl)methylidene]- 1- [5- (methylsulfanyl)- 1,3,4- thiadiazol- 2- yl]pyrrolidine- 2,3- dione
Smiles: CSc1nnc(s1)N1C(c2ccc(cc2)F)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O

STK584822
Synonyms: 3- benzyl- 2- {[2- (dimethylamino)ethyl]amino}- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CN(CCNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3)C

STK584824
Synonyms: 9- methyl- 2- (naphthalen- 1- yl)- 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)c1cccc2c1cccc2

STK584826
Synonyms: 5- bromo- N- [(1Z)- 1- {1- cyano- 2- [(3- methylbutyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]furan- 2- carboxamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(o1)Br)/C(=O)NCCC(C)C

STK584827
Synonyms: 1,1'- [(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]dipropan- 2- ol
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N(CC(O)C)CC(O)C

STK584828
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (2- fluorophenyl)- 1- (1,3- thiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nccs1)c1ccccc1F

STK584830
Synonyms: 2- hydroxy- N'- {(E)- [5- (2- methoxy- 4- nitrophenyl)furan- 2- yl]methylidene}benzohydrazide
Smiles: COc1cc(ccc1c1ccc(o1)/C=N/NC(=O)c1ccccc1O)[N+](=O)[O-]

STK584831
Synonyms: 8- [(4- bromophenyl)sulfonyl]- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: Brc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

STK584832
Synonyms: N- (2- fluorophenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccccc1)c1cnccn1

STK584833
Synonyms: 5- (3- methoxyphenyl)- 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)OC

STK584835
Synonyms: (1'S,3R,3'S,7a'S)- 1'- [(2- ethoxyphenyl)carbonyl]- 6'',7''- dimethyl- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C

STK584836
Synonyms: 1,4- bis(4- chlorophenyl)- N- (3- methoxyphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)Cl)CCCC3)c1ccc(cc1)Cl

STK584837
Synonyms: 4- chloro- N- [(3Z)- 1- ethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)Cl)/c2c1nc1ccccc1c2

STK584838
Synonyms: 8- {(E)- [2- (5- phenylthieno[2,3- d]pyrimidin- 4- yl)hydrazinylidene]methyl}quinoline
Smiles: c1ccc(cc1)c1csc2c1c(N/N=C/c1cccc3c1nccc3)ncn2

STK584840
Synonyms: N- (2- chlorophenyl)- 2- (4- oxoquinazolin- 3(4H)- yl)butanamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1ccccc1Cl

STK584841
Synonyms: 6- hydroxy- 7- (2- hydroxy- 2- phenylethyl)- 3- methyl- 8- [(2E)- 2- (2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(c1ccccc1)Cn1c(N/N=C\2/C(=O)Nc3c2cccc3)nc2c1c(O)nc(=O)n2C

STK584843
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(3- methylbutyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]- 2- methylbenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1C)/C(=O)NCCC(C)C

STK584844
Synonyms: N- [6- chloro- 3- (naphthalen- 1- yl)- 4- oxo- 4H- chromen- 2- yl]thiophene- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(=O)c(c(o2)NC(=O)c1cccs1)c1cccc2c1cccc2

STK584845
Synonyms: N- {(2S)- 1- [(2- methoxybenzyl)amino]- 1- oxopropan- 2- yl}- 1- (4- methoxyphenyl)- 5- oxopyrrolidine- 3- carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NCc1ccccc1OC)C

STK584846
Synonyms: (4E)- 5- (4- fluorophenyl)- 1- hexyl- 4- [hydroxy(4- methylphenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)F

STK584848
Synonyms: 8- [(dibenzylamino)methyl]- 1,3- dimethyl- 7- (3- methylbutyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK584849
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1c1ccccc1F

STK584850
Synonyms: 6,7- dimethoxy- 1- methyl- N- (2- phenylethyl)- 3,4- dihydroisoquinoline- 2(1H)- carbothioamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=S)NCCc1ccccc1

STK584851
Synonyms: 9- (5- methyl- 1,2- oxazol- 3- yl)- 8- (3,4,5- trimethoxyphenyl)- 8,9- dihydrobenzo[7,8]chromeno[2,3- c]pyrrole- 7,10- dione
Smiles: COc1c(OC)cc(cc1OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1

STK584852
Synonyms: 6'- hydroxy- 2,3',4- trimethyl- 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)C)O)[N+](=O)[O-]

STK584853
Synonyms: N- [(5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]pyridine- 3- carboxamide
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1NC(=O)c1cccnc1

STK584854
Synonyms: 5- (3,4- dimethylphenyl)- 3- (2- hydroxyphenyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: OC(=O)C1NC(C2C1C(=O)N(C2=O)c1ccc(c(c1)C)C)c1ccccc1O

STK584856
Synonyms: N- (2,5- dichlorophenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1c1ccccc1F

STK584858
Synonyms: 5- (diethylammonio)- 2- (2,3- dihydro- 1H- perimidin- 2- yl)phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])C1Nc2cccc3c2c(N1)ccc3)CC

STK584859
Synonyms: 2,2- diphenyl- N- [2- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)ethyl]acetamide
Smiles: O=C(C(c1ccccc1)c1ccccc1)NCCc1nnc2n1cccc2

STK584860
Synonyms: 3- (3- chlorophenyl)- 5- [(2,6- dichlorobenzyl)sulfanyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazole
Smiles: Clc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1c(Cl)cccc1Cl

STK584861
Synonyms: 3- (2- ethoxyethyl)- 9- (4- fluorophenyl)- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CCOCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)F

STK584862
Synonyms: N- [2- (dimethylamino)ethyl]- 3- (2- methoxyphenyl)- 3- methylpentanamide
Smiles: CCC(c1ccccc1OC)(CC(=O)NCCN(C)C)C

STK584863
Synonyms: [1- (4- chlorophenyl)cyclopentyl](6,7- dimethoxy- 1- methylidene- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)C1(CCCC1)c1ccc(cc1)Cl

STK584864
Synonyms: (4E)- 5- (4- hydroxy- 3- methoxyphenyl)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(c(c2)OC)O)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O

STK584865
Synonyms: 2- (furan- 2- yl)- 5,11- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1CCCc2c1c1c(s2)nc(n2c1nc(n2)c1ccco1)C

STK584866
Synonyms: (3a'S,6a'R)- 5- chloro- 3'- (3,4- dihydroxybenzyl)- 5'- (4- fluorobenzyl)- 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(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(Cl)cc2

STK584867
Synonyms: N- [3- (4- chlorophenyl)- 1- ethyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]furan- 2- carboxamide
Smiles: CCn1c(NC(=O)c2ccco2)c(c2ccc(cc2)Cl)c(=O)c2c1cccc2

STK584868
Synonyms: (3R)- N- [(2S)- 3- methyl- 1- oxo- 1- (pentylamino)butan- 2- yl]- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: CCCCCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1

STK584869
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK584871
Synonyms: N- (3- chlorophenyl)- 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(Nc1cccc(c1)Cl)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK584873
Synonyms: 2- {[2,2- dimethyl- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl]amino}ethanol
Smiles: OCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C

STK584875
Synonyms: 6- (cyclopentylmethyl)- 1- (4- methylphenyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)CC1CCCC1

STK584880
Synonyms: 5- butyl- 4- hydroxy- 6- methyl- 2- phenyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: CCCCc1c(C)nc2c(c1O)c(=O)n([nH]2)c1ccccc1

STK584881
Synonyms: 6- amino- 3- (4- fluorophenyl)- 4- (4- hydroxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)O)c([nH]n2)c1ccc(cc1)F

STK584882
Synonyms: N- [4- (acetylamino)phenyl]- 4- [(4- oxoquinazolin- 3(4H)- yl)methyl]cyclohexanecarboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK584883
Synonyms: 5- (2- chlorophenyl)- 4- {[(1E,2Z)- 2- chloro- 3- phenylprop- 2- en- 1- ylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK584885
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- ({4- ethyl- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1CC)COc1ccc(cc1)C

STK584888
Synonyms: 3- [(E)- (2- benzylhydrazinylidene)methyl]- 2- chloroquinoline
Smiles: Clc1nc2ccccc2cc1/C=N/NCc1ccccc1

STK584891
Synonyms: 2- (2- chlorophenyl)- 10- methyl- 8- phenyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccccc1c1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK584892
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- [4- (propan- 2- yl)phenyl]pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)CSc1nnc(s1)N1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STK584893
Synonyms: 5- [3- (benzyloxy)phenyl]- N'- [(E)- (2- chloro- 6- fluorophenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1)N/N=C/c1c(F)cccc1Cl

STK584895
Synonyms: (5E)- 1- (4- fluorophenyl)- 5- ({[2- (piperidin- 1- yl)ethyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCN2CCCCC2)/C1=O)S

STK584897
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,5- dimethoxyphenyl)acetamide
Smiles: COc1cc(NC(=O)CSc2nnc(n2c2ccc(cc2)Cl)c2ccccn2)cc(c1)OC

STK584898
Synonyms: (4E)- 1- [5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (3- propoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK584899
Synonyms: 3'- butyl- 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: CCCCN1C(=O)N=C(C2(C1=O)Cc1ccccc1N1C2CN(CC1)c1ccccc1)O

STK584901
Synonyms: 4- (4- chlorophenyl)- 3- [(2,5- dimethylbenzyl)sulfanyl]- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCc1cc(C)ccc1C

STK584904
Synonyms: N,N- dimethyl- N'- (5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinolin- 8- yl)ethane- 1,2- diamine
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCCN(C)C

STK584905
Synonyms: (4Z)- 4- ({[3- (diethylamino)propyl]amino}methylidene)- 2- (4- methylphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: CCN(CCCN/C=C\1/c2ccccc2C(=O)N(C1=O)c1ccc(cc1)C)CC

STK584908
Synonyms: (2Z)- 2- (3- chlorobenzylidene)- 7- (morpholin- 4- ium- 4- ylmethyl)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: Clc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCOCC1)[O-]

STK584910
Synonyms: (2S)- N- (4- acetylphenyl)- 2- (4- oxoquinazolin- 3(4H)- yl)propanamide
Smiles: O=C([C@@H](n1cnc2c(c1=O)cccc2)C)Nc1ccc(cc1)C(=O)C

STK584911
Synonyms: N- [5- (4- chlorophenyl)- 7- (4- methoxyphenyl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]benzamide
Smiles: COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)c1ccccc1)c1ccc(cc1)Cl

STK584913
Synonyms: 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- (3,4- dimethylphenyl)acetamide
Smiles: COc1cc2CCN(Cc2cc1OC)CC(=O)Nc1ccc(c(c1)C)C

STK584915
Synonyms: 3- tert- butyl- 6'- chloro- 6- hydroxy- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4(3H)- dione
Smiles: O=C1N=C(O)C2(C(=O)N1C(C)(C)C)Cc1c(Cl)cccc1N1C2CCC1

STK584916
Synonyms: 2- [(3- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 1- yl)oxy]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)COc1cc(C)cc2c1c1CCCCc1c(=O)o2

STK584917
Synonyms: 1,3- dimethyl- 7- (3- methylbenzyl)- 8- (4- methylpiperazin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN1CCN(CC1)c1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK584918
Synonyms: 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- fluoro- 4- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1COc1ccc(cc1)C

STK584920
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- chloro- 4- methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(c(c1)Cl)C

STK584922
Synonyms: 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (propan- 2- yl)hexanamide
Smiles: CC(NC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)C

STK584923
Synonyms: (2'S,3S,3'S,10b'R)- 2'- (1,3- benzodioxol- 5- ylcarbonyl)- 3'- (pyridin- 2- ylcarbonyl)- 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)c1ccc4c(c1)OCO4)C(=O)Nc1c2cccc1)cccc3)c1ccccn1

STK584926
Synonyms: methyl4- [(3E)- 3- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(2- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4,5- dioxopyrrolidin- 2- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK584927
Synonyms: (5Z)- 5- (4- ethylbenzylidene)- 2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}- 1,3- thiazol- 4(5H)- one
Smiles: CCc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK584928
Synonyms: 6- hydroxy- 7- (2- methoxyethyl)- 3- methyl- 8- [(4- methyl- 1,3- thiazol- 2- yl)sulfanyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: COCCn1c(Sc2scc(n2)C)nc2c1c(O)nc(=O)n2C

STK584929
Synonyms: 5- (2- methoxyphenyl)- 4- {[(E)- (4- methoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK584930
Synonyms: 2- bromo- 6- methoxy- 4- [(E)- {(2Z)- [4- (3- nitrophenyl)- 1,3- thiazol- 2(3H)- ylidene]hydrazinylidene}methyl]phenol
Smiles: COc1cc(/C=N/N=c/2\scc([nH]2)c2cccc(c2)[N+](=O)[O-])cc(c1O)Br

STK584931
Synonyms: 2- {[5- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nnc1c1cccc(c1)OC

STK584932
Synonyms: N- [4- chloro- 3- (trifluoromethyl)phenyl]- 2- {[4- ethyl- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1CC)SCC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl

STK584934
Synonyms: 2- [(3a'S,6a'R)- 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)Nc2c1cccc2

STK584936
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- ethoxyphenyl)methylidene]- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)OCC

STK584937
Synonyms: 7- bromo- 2- methyl- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(cc(c1OC)OC)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK584939
Synonyms: tert- butyl(3S)- 3- [(3,4- dimethoxybenzyl)carbamoyl]- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: COc1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)ccc1OC

STK584940
Synonyms: 5- hydroxy- 4- (4- methylphenyl)- 2- [(2- methylpropyl)sulfanyl]- 4,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCC(C)C)N=C2C(=C(O)CCC2)C1c1ccc(cc1)C

STK584941
Synonyms: (5E)- 3- butyl- 6- hydroxy- 5- (1- {[2- (morpholin- 4- yl)ethyl]amino}propylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NCCN2CCOCC2)/CC)/C1=O)O

STK584942
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- fluorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2F)nnc1COc1ccc(cc1)Cl

STK584943
Synonyms: N- (3- methoxypropyl)- 5,11- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: COCCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1C(C)CCC2

STK584944
Synonyms: 9- [2- (morpholin- 4- yl)ethyl]- 4- phenyl- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: O=c1cc(c2ccccc2)c2c(o1)c1CN(CCN3CCOCC3)COc1cc2

STK584945
Synonyms: 2- [5- (2- methoxyphenoxy)pyrimidin- 4- yl]- 5- [(2- methylprop- 2- en- 1- yl)oxy]phenol
Smiles: COc1ccccc1Oc1cncnc1c1ccc(cc1O)OCC(=C)C

STK584946
Synonyms: 4- (propan- 2- yl)- N- (tetrahydrofuran- 2- ylmethyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- amine
Smiles: CC(c1nc2oc3c(c2c2c1CCC2)ncnc3NCC1CCCO1)C

STK584947
Synonyms: 3- (2- fluorobenzyl)- 8- (2- methoxyphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1F

STK584949
Synonyms: 5- {[(2Z)- 3- (3- chloro- 2- methylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1cccc(c1C)Cl)CS(=O)(=O)C2

STK584950
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (5- chloro- 2- methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cc(Cl)ccc1C

STK584951
Synonyms: ethyl4- (4- hydroxy- 1,7- dimethyl- 2- oxo- 1,2- dihydro- 8H- imidazo[2,1- f]purin- 8- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK584952
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (2- bromophenyl)- 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)c1ccccc1Br

STK584953
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1c1ccccc1)c1cnccn1

STK584955
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- (3- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O

STK584956
Synonyms: 13- (4- ethoxyphenyl)- 9,10- dimethoxy- 3,3- dimethyl- 2,3,4,6,7,13- hexahydro- 1H- isoquino[2,1- a]quinolin- 1- one
Smiles: CCOc1ccc(cc1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc(OC)c(c1)OC

STK584957
Synonyms: N- [(2E)- 4,6- dimethylquinazolin- 2(1H)- ylidene]- 5- (pyridin- 3- ylmethyl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)Cc1cccnc1)/[nH]2

STK584958
Synonyms: N'- [(E)- (2- chloro- 7- methylquinolin- 3- yl)methylidene]pyridine- 4- carbohydrazide
Smiles: Cc1ccc2c(c1)nc(c(c2)/C=N/NC(=O)c1ccncc1)Cl

STK584960
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- propylbenzenesulfonamide
Smiles: CCCN(S(=O)(=O)c1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O

STK584961
Synonyms: N- (butan- 2- yl)- 4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCC(Nc1ncnc2c1sc1c2c2CCCc2c(n1)CC(C)C)C

STK584962
Synonyms: 5- (2,5- dichlorophenyl)- N'- [(E)- (4- fluorophenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1Cl

STK584963
Synonyms: 5- (3- fluorophenyl)- 2- (3- methoxyphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1cccc(c1)C1=NN2C(C1)c1ccccc1OC2c1cccc(c1)F

STK584964
Synonyms: 4- butyl- N- [(2E)- 5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: CCCCC1CCC(CC1)C(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)F

STK584965
Synonyms: methyl4- {[(3Z)- 8- 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)/c2c1nc1c(C)cccc1c2

STK584966
Synonyms: 4- ({[4- (4- ethoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzonitrile
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C#N)nnc1c1cccc(c1)C

STK584971
Synonyms: 5- (4- chlorophenyl)- 2,4- dihydroxy- 1- (2- methoxyethyl)- 1,5- dihydro- 6H- indeno[2',1':5,6]pyrido[2,3- d]pyrimidin- 6- one
Smiles: COCCn1c(O)nc(c2c1=NC1=C(C2c2ccc(cc2)Cl)C(=O)c2c1cccc2)O

STK584973
Synonyms: 7- ethyl- 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK584975
Synonyms: (5E)- 5- {1- [(1,3- benzodioxol- 5- ylmethyl)amino]propylidene}- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCc1ccc2c(c1)OCO2

STK584977
Synonyms: 2- (9- fluoro- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)- N- (propan- 2- yl)acetamide
Smiles: CC(NC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)F)C

STK584978
Synonyms: N- (3- fluorophenyl)- 2,4- dihydroxy- 6,7- dimethoxyquinoline- 3- carboxamide
Smiles: COc1cc2nc(O)c(c(c2cc1OC)O)C(=O)Nc1cccc(c1)F

STK584979
Synonyms: 5- (4- methylphenyl)- 4- {[(E)- (3- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)C

STK584981
Synonyms: 11- methyl- N- [2- (morpholin- 4- yl)ethyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1C(C)CCC2)NCCN1CCOCC1

STK584982
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[5- (3- chlorophenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nnc1c1cccc(c1)Cl

STK584983
Synonyms: 1'- methyl- 6'- nitro- 1- phenyl- 2'- propyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4,6(1H,3H)- trione
Smiles: CCCC1N(C)c2ccc(cc2CC21C(=O)NC(=O)N(C2=O)c1ccccc1)[N+](=O)[O-]

STK584984
Synonyms: 4- [(Z)- (4- iminio- 7,8- dimethyl- 2- oxo- 2H- pyrimido[2,1- b][1,3]benzothiazol- 3(4H)- ylidene)methyl]phenolate
Smiles: [O-]c1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=[NH2+])c1cc(C)c(cc1s2)C

STK584986
Synonyms: 2- (4- methoxyphenyl)- N- [(2E)- 3- (4- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=C\1/SC2C(N1c1ccc(cc1)OC)CS(=O)(=O)C2

STK584987
Synonyms: 2',6'- dihydroxy- 3- (4- methoxyphenyl)- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2cccc3)C(=NC(=NC1=O)O)O

STK584988
Synonyms: 1- (2- chlorophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccccc2Cl)nnc1c1cnccn1

STK584989
Synonyms: 2,6- dihydroxy- 5- [(2E)- 3- (4- methoxyphenyl)prop- 2- enoyl]- 3- (2- phenylethyl)pyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1)/C=C/C(=O)c1c(O)nc(n(c1=O)CCc1ccccc1)O

STK584990
Synonyms: (2Z,5Z)- 5- [4- (dimethylamino)benzylidene]- 2- [(4- hydroxyphenyl)imino]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Oc1ccc(cc1)/N=C/1\S/C(=C\c2ccc(cc2)N(C)C)/C(=N1)O

STK584992
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2,4- dichlorophenyl)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(cc2Cl)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK584993
Synonyms: N- cyclohexyl- 4- oxo- 1- phenyl- 2- [4- (propan- 2- yl)phenyl]azetidine- 2- carboxamide
Smiles: O=C1CC(N1c1ccccc1)(C(=O)NC1CCCCC1)c1ccc(cc1)C(C)C

STK584994
Synonyms: methylN- [(1E)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)propyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C(=C/1\C(=NC(=NC1=O)O)O)/CC

STK584995
Synonyms: 1- benzyl2- (2- chloro- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)(2S)- pyrrolidine- 1,2- dicarboxylate
Smiles: O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3

STK584996
Synonyms: 4- chloro- N- cyclohexyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: Clc1ccc(cc1)C(=O)N(C1CCCCC1)Cc1cc2cc(C)ccc2[nH]c1=O

STK584997
Synonyms: 2- (3- tert- butyl- 5,9- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)- N- (pyridin- 2- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)NCc1ccccn1

STK584998
Synonyms: 2- [(3a'S,6a'R)- 6- chloro- 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)Nc1c2ccc(c1C)Cl

STK584999
Synonyms: 12- (furan- 2- yl)- 2- phenyl- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: O=C1CCCC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccccc1

STK585003
Synonyms: N'- [(E)- (2,4- dihydroxyphenyl)methylidene]- 5- methoxy- 1H- indole- 2- carbohydrazide
Smiles: COc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1ccc(cc1O)O

STK585004
Synonyms: N- [(2S)- 1- {[4- chloro- 3- (trifluoromethyl)phenyl]amino}- 1- oxopropan- 2- yl]- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(c(c1)C(F)(F)F)Cl)C

STK585005
Synonyms: (2E)- 3- (3- chloro- 4- ethoxy- 5- methoxyphenyl)- 1- (6,7- dimethoxy- 1- methylidene- 3,4- dihydroisoquinolin- 2(1H)- yl)prop- 2- en- 1- one
Smiles: CCOc1c(Cl)cc(cc1OC)/C=C/C(=O)N1CCc2c(C1=C)cc(c(c2)OC)OC

STK585006
Synonyms: 5- (4- ethoxyphenyl)- 4- {[(E)- (3- phenoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)Oc1ccccc1

STK585008
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (10H- phenothiazin- 10- yl)ethanone
Smiles: Nn1c(nnc1c1n[nH]c(c1)c1ccccc1)SCC(=O)N1c2ccccc2Sc2c1cccc2

STK585010
Synonyms: (5Z)- 6- hydroxy- 5- (1- {[2- (piperidin- 1- yl)ethyl]amino}propylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=O)NC(=O)N=C1O)/NCCN1CCCCC1

STK585011
Synonyms: (E)- {1'- [2- (dimethylammonio)ethyl]- 1- methyl- 2,4',5'- trioxo- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}[3- (dimethylsulfamoyl)phenyl]methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccc(c2)S(=O)(=O)N(C)C)/[O-])/C21C(=O)N(c1c2cccc1)C)C

STK585012
Synonyms: 7- chloro- 6- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (pyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccccn1)c(=O)c1c(o2)cc(c(c1)Cl)C

STK585014
Synonyms: 10- methyl- 3- (3- methylbutyl)- 2- (3- nitrophenyl)pyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CC(CCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccc(c1)[N+](=O)[O-])C

STK585015
Synonyms: 5- pentyl- 3- (prop- 2- en- 1- yl)- 3H- pyrrolo[2',3':4,5]pyrimido[1,6- a]benzimidazol- 1- ylhexanoate
Smiles: CCCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCCC)cccc3)CC=C

STK585016
Synonyms: N- [(2Z)- 3- (4- acetylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- phenoxyacetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccc(cc1)C(=O)C)CS(=O)(=O)C2)COc1ccccc1

STK585017
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- phenylethanone
Smiles: Brc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1c1ccncc1

STK585018
Synonyms: methylN- (prop- 2- en- 1- ylcarbamoyl)- D- phenylalaninate
Smiles: C=CCNC(=O)N[C@@H](C(=O)OC)Cc1ccccc1

STK585021
Synonyms: 4- (4- ethoxyphenyl)- 3- [(3- fluorobenzyl)sulfanyl]- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: CCOc1ccc(cc1)n1c(SCc2cccc(c2)F)nnc1c1ccc(cc1)OC

STK585022
Synonyms: 9- (3,5- difluorophenyl)- 2- methyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Fc1cc(F)cc(c1)C1C2=C(O)CCCC2=Nc2n1nc(n2)C

STK585024
Synonyms: 2- [2- amino- 5- (2- methoxyphenyl)- 6- methylpyrimidin- 4- yl]- 5- [(4- bromobenzyl)oxy]phenol
Smiles: COc1ccccc1c1c(C)nc(nc1c1ccc(cc1O)OCc1ccc(cc1)Br)N

STK585025
Synonyms: 3- (3- hydroxypropyl)- 8- (2- methoxyphenyl)- 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)c1ccccc1OC

STK585026
Synonyms: 7,8- dimethyl- 4- [(2- methylpiperidin- 1- yl)methyl]- 2H- chromen- 2- one
Smiles: CC1CCCCN1Cc1cc(=O)oc2c1ccc(c2C)C

STK585027
Synonyms: 4- [(2E)- 2- {[1- (4- fluorobenzyl)- 1H- indol- 3- yl]methylidene}hydrazinyl]benzoicacid
Smiles: Fc1ccc(cc1)Cn1cc(c2c1cccc2)/C=N/Nc1ccc(cc1)C(=O)O

STK585028
Synonyms: 8- (4- benzylpiperidin- 1- yl)- 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK585029
Synonyms: 2- (3- tert- butyl- 4,9- dimethyl- 7- oxo- 7H- furo[2,3- f]chromen- 8- yl)- N- (propan- 2- yl)acetamide
Smiles: CC(NC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C(C)(C)C)C

STK585030
Synonyms: 3- (3- chlorophenyl)- 7- methyl- 2- [(2- methylpropyl)amino]- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC(CNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C)C

STK585031
Synonyms: N- [4- (acetylamino)phenyl]- 6- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)hexanamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CCCCCn1nnc2c(c1=O)cccc2

STK585033
Synonyms: 5- (3- ethoxyphenyl)- 4- {[(1E,2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/C=C/c1ccco1

STK585034
Synonyms: 7- (furan- 2- yl)- 5- hydroxy- 2- methyl- N- (pyridin- 2- yl)- 4- (thiophen- 3- yl)- 4,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: CC1=C(C(=O)Nc2ccccn2)C(C2=C(CC(CC2=N1)c1ccco1)O)c1ccsc1

STK585036
Synonyms: 3- methoxy- N- (2- methylpropyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2ccccc2[nH]c1=O)CC(C)C

STK585037
Synonyms: 5- (3,5- dimethylphenyl)- 3- (2- hydroxyphenyl)- 1- (1H- indol- 3- ylmethyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: Cc1cc(C)cc(c1)N1C(=O)C2C(C1=O)C(NC2c1ccccc1O)(Cc1c[nH]c2c1cccc2)C(=O)O

STK585038
Synonyms: 8- (3- chloro- 2- methylphenyl)- 1- methyl- 3- (2- methylpropyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1C)Cl)C

STK585041
Synonyms: (E)- (4- chlorophenyl){1- [4- (dimethylammonio)phenyl]- 2- (3- nitrophenyl)- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: Clc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1ccc(cc1)[NH+](C)C)/[O-]

STK585042
Synonyms: N- (biphenyl- 2- yl)- 2- {[5- (2- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2c2ccccc2)nnc1c1ccccc1Cl

STK585045
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazole
Smiles: Brc1ccc(cc1)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK585046
Synonyms: (5E)- 6- hydroxy- 5- (1- {[2- (1H- indol- 3- yl)ethyl]amino}propylidene)- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCCc1c[nH]c2c1cccc2

STK585048
Synonyms: N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- 4- methyl- N- (3- methylphenyl)benzenesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccc(cc1)C)c1cccc(c1)C

STK585051
Synonyms: N- {(2S)- 1- [(2- methoxyethyl)amino]- 1- oxopropan- 2- yl}- 1- (4- methoxyphenyl)- 5- oxopyrrolidine- 3- carboxamide
Smiles: COCCNC(=O)[C@@H](NC(=O)C1CN(C(=O)C1)c1ccc(cc1)OC)C

STK585052
Synonyms: tert- butyl[(1S)- 1- {5- [(3- methylbut- 2- en- 1- yl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- phenylethyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)SCC=C(C)C)Cc1ccccc1

STK585053
Synonyms: (3R,3'S,3a'S,6a'R)- 5'- (4- methylphenyl)- 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: CC([C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)C

STK585054
Synonyms: 8- [(4- ethylpiperazin- 1- ium- 1- yl)methyl]- 3- [4- (methoxycarbonyl)phenoxy]- 2- methyl- 4- oxo- 4H- chromen- 7- olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(C)c(c2=O)Oc1ccc(cc1)C(=O)OC

STK585055
Synonyms: 4- {[(E)- (5- bromo- 2- 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)Br

STK585057
Synonyms: 2- (6- chloro- 7- methoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- (pyridin- 4- ylmethyl)acetamide
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)NCc1ccncc1

STK585058
Synonyms: 7'- [(1,3- diethyl- 2,4,6- trioxotetrahydropyrimidin- 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: CCN1C(=O)C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C(=O)N(C1=O)CC

STK585059
Synonyms: (5Z)- 3- cyclohexyl- 6- hydroxy- 5- [(2- phenyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C/c2c([nH]c3c2cccc3)c2ccccc2)/C(=O)N1C1CCCCC1

STK585060
Synonyms: 3,4,5- trimethoxy- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (tetrahydrofuran- 2- ylmethyl)benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1

STK585064
Synonyms: (2E)- N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 3- [4- (benzyloxy)- 3- methoxyphenyl]prop- 2- enamide
Smiles: COc1cc(/C=C/C(=O)/N=c\2/sc3c([nH]2)cccc3)ccc1OCc1ccccc1

STK585066
Synonyms: N- [5- (4- chlorophenyl)- 7- (4- fluorophenyl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]benzenesulfonamide
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NS(=O)(=O)c1ccccc1)c1ccc(cc1)Cl

STK585067
Synonyms: 2- methyl- 1- (pyridin- 4- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CN1C(=O)c2c(C1c1ccncc1)c(=O)c1c(o2)cccc1

STK585070
Synonyms: N- [3- (4- chlorophenyl)- 1- methyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]butanamide
Smiles: CCCC(=O)Nc1c(c2ccc(cc2)Cl)c(=O)c2c(n1C)cccc2

STK585071
Synonyms: 8- ethyl- 5- (pyrrolidin- 1- yl)- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidine
Smiles: CCN1CCc2c(C1)sc1c2c(nc2n1nnn2)N1CCCC1

STK585072
Synonyms: N- (2- cyclohexyl- 1,2,3,4- tetrahydropyrazino[1,2- a]benzimidazol- 8- yl)methanesulfonamide
Smiles: CS(=O)(=O)Nc1ccc2c(c1)nc1n2CCN(C1)C1CCCCC1

STK585073
Synonyms: 4- {[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]methyl}- 6- chloro- 7- hydroxy- 2H- chromen- 2- one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)cc(c(c2)Cl)O

STK585074
Synonyms: 7- (4- chlorobenzyl)- 6- hydroxy- 3- methyl- 8- [4- (3- methylbutyl)piperazin- 1- yl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(CCN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)Cl)c(O)nc(=O)n2C)C

STK585076
Synonyms: (3a'S,6a'R)- 5'- tert- butyl- 7- chloro- 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: CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl

STK585077
Synonyms: 4- {[(E)- (4- ethoxy- 3- methoxyphenyl)methylidene]amino}- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STK585078
Synonyms: 8- [(4- benzylpiperazin- 1- yl)amino]- 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(NN2CCN(CC2)Cc2ccccc2)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)C

STK585079
Synonyms: 4- [(E)- {[3- (2- fluorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]- 2- methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK585081
Synonyms: 4- chloro- N- [(2Z)- 6- methoxy- 1,3- benzothiazol- 2(3H)- ylidene]benzamide
Smiles: COc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)Cl)/[nH]2

STK585083
Synonyms: 6,7- dimethoxy- 2- (3- nitrobenzyl)- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN(Cc2cc1OC)Cc1cccc(c1)[N+](=O)[O-]

STK585085
Synonyms: N- [3- (morpholin- 4- yl)propyl]- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCC2)NCCCN1CCOCC1

STK585088
Synonyms: 8- (3- chlorophenyl)- 10- methyl- 2- (2- methylphenyl)- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1cccc(c1)n1nc(c2c1Oc1ncn3c(c1C2c1cccnc1)nc(n3)c1ccccc1C)C

STK585090
Synonyms: 7- cyclohexyl- 5- (4- methylpiperazin- 1- yl)- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridin- 1- amine
Smiles: CN1CCN(CC1)c1nc2[nH]nc(c2c2c1CN(CC2)C1CCCCC1)N

STK585091
Synonyms: N- (1',3'- dimethyl- 2',4',6'- trioxo- 1',2,3,3',4,4',4a,6'- octahydro- 1H,2'H,6H- spiro[pyrido[1,2- a]quinoline- 5,5'- pyrimidin]- 8- yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)CC1(C3N2CCCC3)C(=O)N(C)C(=O)N(C1=O)C

STK585092
Synonyms: 3- methoxy- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)CC(C)C

STK585094
Synonyms: 3- [(4- {[4- (3- chlorophenyl)piperazin- 1- yl]carbonyl}cyclohexyl)methyl]- 1,2,3- benzotriazin- 4(3H)- one
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK585095
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 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(n1Cc1ccco1)Cc1cccs1

STK585096
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (1,3- benzodioxol- 5- ylcarbonyl)- 2'- (1- benzofuran- 2- ylcarbonyl)- 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)c1cc4c(o1)cccc4)C(=O)Nc1c2cccc1)cccc3)c1ccc2c(c1)OCO2

STK585097
Synonyms: 6- hydroxy- 8- [(2- hydroxyethyl)amino]- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCNc1nc2c(n1CC(COc1cccc(c1)C)O)c(O)nc(=O)n2C

STK585099
Synonyms: 3- [(2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl)amino]propan- 1- ol
Smiles: OCCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK585100
Synonyms: N- [2- ({(1E)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}amino)phenyl]acetamide
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2ccccc2NC(=O)C)/CC)/C1=O)O

STK585102
Synonyms: 4- {[(E)- (3,4- dimethoxyphenyl)methylidene]amino}- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STK585103
Synonyms: 1- (4- chlorophenyl)- 4- (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)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)F

STK585104
Synonyms: 2- [(2E)- 2- (2- carbamoylhydrazinylidene)cyclohexyl]pyridine- 4- carboxylicacid
Smiles: NC(=O)N/N=C/1\CCCCC1c1nccc(c1)C(=O)O

STK585105
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- fluorophenyl)carbonyl]- 2'- [(4- methylphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)F)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK585107
Synonyms: 4- (4- methoxyphenyl)- 3- [(3- methylbenzyl)sulfanyl]- 5- (3- methylphenyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(nnc1c1cccc(c1)C)SCc1cccc(c1)C

STK585109
Synonyms: 4- {[(E)- (2- bromophenyl)methylidene]amino}- 5- [4- (dimethylamino)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1)N(C)C

STK585111
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- (prop- 2- en- 1- yloxy)phenyl]pyrrolidine- 2,3- dione
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK585117
Synonyms: 2,2,5- trimethyl- N- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: CC(CNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)C

STK585118
Synonyms: 2- methoxy- 6- [4- (2- methoxy- 4- methylphenoxy)quinazolin- 2- yl]phenol
Smiles: COc1cc(C)ccc1Oc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK585119
Synonyms: N- [(2Z)- 3- (5- chloro- 2,4- dimethoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1cc(Cl)c(cc1OC)OC)CS(=O)(=O)C2

STK585120
Synonyms: 6- cyclohexyl- 1- (3- methylphenyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1cccc(c1)n1c(S)nc(=O)c2c1NCN(C2)C1CCCCC1

STK585121
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,4- dichlorophenyl)acetamide
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1Cl)Cl

STK585122
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- ylN- [(4- methylphenyl)sulfonyl]norvalinate
Smiles: CCCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NS(=O)(=O)c1ccc(cc1)C

STK585124
Synonyms: (3a'S,6a'R)- 5'- tert- butyl- 7- chloro- 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: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl

STK585125
Synonyms: 7- fluoro- 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 1- (3- hydroxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Oc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK585126
Synonyms: 7- (2- fluorobenzyl)- 8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccccc1Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK585127
Synonyms: (5,6- dimethoxy- 1H- indol- 2- yl)[4- (2,3- dimethylphenyl)piperazin- 1- yl]methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCN(CC1)c1cccc(c1C)C

STK585129
Synonyms: N- butyl- 4- chloro- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: CCCCN(C(=O)c1ccc(cc1)Cl)Cc1cc2ccccc2[nH]c1=O

STK585130
Synonyms: N- (2,5- dimethylphenyl)- N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccccc1)c1cc(C)ccc1C

STK585131
Synonyms: 5- (5- acetyl- 4- phenyl- 1,3,4,5- tetrahydro- 2H- 1,5- benzodiazepin- 2- ylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CN1C(=O)N(C)C(=O)C(=C2Nc3ccccc3N(C(C2)c2ccccc2)C(=O)C)C1=O

STK585132
Synonyms: 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (3- methylbutyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CCn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C)C

STK585134
Synonyms: {4- [(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#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

STK585137
Synonyms: (3E)- 3- [1- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 5- oxo- 2- sulfanyl- 1,5- dihydro- 4H- imidazol- 4- ylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=N/C(=C\2/C(=O)Nc3c2cccc3)/C1=O)S

STK585138
Synonyms: 4- {[4- (2- methoxyphenyl)piperazin- 1- ium- 1- yl]methyl}- 2- oxo- 7- phenyl- 2H- chromen- 6- olate
Smiles: COc1ccccc1N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)c1ccccc1

STK585139
Synonyms: 8- methyl- 3- {(E)- [2- (5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)hydrazinylidene]methyl}quinolin- 2- ol
Smiles: Oc1nc2c(C)cccc2cc1/C=N/Nc1ncnc2c1c1CCCCc1s2

STK585141
Synonyms: N- (3- chlorophenyl)- 2- {[6- cyano- 8,8- dimethyl- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl]sulfanyl}acetamide
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCC(=O)Nc3cccc(c3)Cl)nnc2c2c1CC(C)(C)OC2

STK585143
Synonyms: 5,7- dimethyl- N- (naphthalen- 2- yl)[1,2,4]triazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)Nc1ccc2c(c1)cccc2

STK585144
Synonyms: 2- (3- tert- butyl- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)- N- (tetrahydrofuran- 2- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)NCC1CCCO1

STK585146
Synonyms: (1'R,2'R)- 2'- (3- chlorophenyl)- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Clc1cccc(c1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK585147
Synonyms: 8- (4- benzylpiperidin- 1- yl)- 6- hydroxy- 3- methyl- 7- {3- [(4- methylpyrimidin- 2- yl)sulfanyl]propyl}- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1ccnc(n1)SCCCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK585148
Synonyms: 5- (2- bromophenyl)- 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]nc1c1ccccc1Br)cccc2

STK585151
Synonyms: 3'- [2- (3,4- dimethoxyphenyl)ethyl]- 6'- hydroxy- 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(cc1OC)CCN1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N1C2CN(C)CC1)[N+](=O)[O-])O

STK585152
Synonyms: 1- (4- chlorophenyl)- 4- (4- fluorophenyl)- N- (2- methoxyphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccccc1NC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)F

STK585154
Synonyms: N- (3,5- dichlorophenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK585156
Synonyms: 2- {1,3- dimethyl- 2,6- dioxo- 8- [(4- phenylpiperazin- 1- yl)methyl]- 1,2,3,6- tetrahydro- 7H- purin- 7- yl}acetamide
Smiles: NC(=O)Cn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK585157
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- [3- (3- methylbutoxy)phenyl]- 1- {5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O)C

STK585158
Synonyms: 3- (2- chlorophenyl)- 4- oxo- 8- (piperidinium- 1- ylmethyl)- 4H- chromen- 7- olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCCCC1)occ(c2=O)c1ccccc1Cl

STK585160
Synonyms: 6- tert- butyl- 1- (4- methoxyphenyl)- 3- methyl- 1,7- dihydro- 4H- pyrazolo[3,4- b]pyridin- 4- one
Smiles: COc1ccc(cc1)n1nc(c2c1[nH]c(cc2=O)C(C)(C)C)C

STK585161
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- ethoxy- 3- methoxyphenyl)methylidene]- 5- {[methyl(phenyl)amino]methyl}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1ccc(cc1OC)/C=N/NC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N

STK585162
Synonyms: (4E)- 5- (3- fluorophenyl)- 1- hexyl- 4- [hydroxy(4- methylphenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1cccc(c1)F

STK585163
Synonyms: 1- (2- methoxyphenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccccc1C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585164
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 1- (3- fluorophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1cccc(c1)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585165
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (4- propoxyphenyl)- N'- {(E)- [2- (trifluoromethyl)phenyl]methylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1C(F)(F)F

STK585167
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1N)c1n[nH]c(c1)C

STK585168
Synonyms: N,N- diethyl- 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- amine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N(CC)CC

STK585169
Synonyms: N- cyclopentyl- N~2~- {[1- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- oxopyrrolidin- 3- yl]carbonyl}- L- valinamide
Smiles: CC([C@@H](C(=O)NC1CCCC1)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C

STK585170
Synonyms: 12- (3,4- dimethoxyphenyl)- 2- methyl- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: COc1ccc(cc1OC)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)C

STK585171
Synonyms: 5- (4- ethoxyphenyl)- 4- [(2E)- 2- (2- fluorobenzylidene)hydrazinyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1N/N=C/c1ccccc1F

STK585173
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,5- dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1C)c1cccc(c1)Cl

STK585176
Synonyms: 4- nitro- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: CCCc1n[nH]/c(=N/C(=O)c2ccc(cc2)[N+](=O)[O-])/s1

STK585182
Synonyms: (4E)- 4- ({[3- (diethylamino)propyl]amino}methylidene)- 2- (4- methoxyphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: CCN(CCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(cc1)OC)CC

STK585185
Synonyms: (3aR,6aS)- 3- (2,5- dimethoxyphenyl)- 5- (2,3- dimethylphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(c(c1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1C)C)OC

STK585187
Synonyms: (3a'S,6a'R)- 3'- (3,4- dihydroxybenzyl)- 5- fluoro- 5'- (4- fluorobenzyl)- 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(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(F)cc2

STK585188
Synonyms: 2- [(3a'S,6a'R)- 5'- benzyl- 5- fluoro- 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(F)cc1

STK585189
Synonyms: 9- (5- methyl- 1,2- oxazol- 3- yl)- 8- (4- methylphenyl)- 8,9- dihydrobenzo[7,8]chromeno[2,3- c]pyrrole- 7,10- dione
Smiles: Cc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1

STK585192
Synonyms: (4E)- 4- ({[(1- ethylpyrrolidin- 2- yl)methyl]amino}methylidene)- 2- (2- methoxyphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1OC

STK585195
Synonyms: N- {(1Z)- 1- [2- (butylamino)- 1- cyano- 2- oxoethylidene]- 1H- isoindol- 3- yl}- 2- chlorobenzamide
Smiles: CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccccc1Cl)/C#N

STK585196
Synonyms: 1- cyclohexyl- 2- hydroxy- 1',2',3',3a'- tetrahydro- 4H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 4,6(1H)- dione
Smiles: OC1=NC(=O)C2(C(=O)N1C1CCCCC1)Cc1ccccc1N1C2CCC1

STK585197
Synonyms: (E)- {2- (4- bromophenyl)- 1- [4- (dimethylammonio)phenyl]- 4,5- dioxopyrrolidin- 3- ylidene}(4- methylphenyl)methanolate
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1c1ccc(cc1)[NH+](C)C

STK585198
Synonyms: 8- (4- benzylpiperazin- 1- yl)- 1,3- dimethyl- 7- {2- [(4- methylpyrimidin- 2- yl)sulfanyl]ethyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)Cc1ccccc1

STK585199
Synonyms: N- (2- ethylphenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1ccccc1CC

STK585201
Synonyms: 4- fluoro- N- (4- methoxyphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)F)Cc1cc2ccccc2[nH]c1=O

STK585202
Synonyms: 3- (3- chlorophenyl)- 5- [(3- fluorobenzyl)sulfanyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazole
Smiles: Fc1cccc(c1)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK585203
Synonyms: 4- (4- chlorophenyl)- 1- (4- methylphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)CC(C2=C1COC2=O)c1ccc(cc1)Cl

STK585205
Synonyms: 1- tert- butyl4- (3,4,8- trimethyl- 2- oxo- 2H- chromen- 7- yl)piperidine- 1,4- dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1ccc2c(c1C)oc(=O)c(c2C)C

STK585207
Synonyms: 8- benzyl- N- (pyridin- 3- 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(NCc2cccnc2)nc2n1nnn2

STK585208
Synonyms: (5Z)- 3- (butan- 2- yl)- 5- {[(2',6'- dihydroxy- 3- methyl- 4'- oxo- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 8- yl)amino]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCC(N1C(=O)N=C(/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=NC(=NC2=O)O)O)/C1=O)O)C

STK585209
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK585210
Synonyms: 5- {[(3Z)- 7- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]amino}- 5- oxopentanoicacid
Smiles: CCCn1[nH]/c(=N\C(=O)CCCC(=O)O)/c2c1nc1cc(C)ccc1c2

STK585214
Synonyms: N- (butan- 2- ylcarbamoyl)- D- leucine
Smiles: CCC(NC(=O)N[C@@H](C(=O)O)CC(C)C)C

STK585215
Synonyms: 14- (4- ethoxyphenyl)- 3,3- dimethyl- 2,3,4,6,7,14- hexahydro- 1H- [1,3]dioxolo[6,7]isoquino[2,1- a]quinolin- 1- one
Smiles: CCOc1ccc(cc1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCOc2c1

STK585216
Synonyms: N- (furan- 2- ylmethyl)- 4- methyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1ccco1

STK585217
Synonyms: 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 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)c1cnccn1

STK585218
Synonyms: 3- [(4- tert- butylbenzyl)sulfanyl]- 4- methyl- 5- (3- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1cccc(c1)c1nnc(n1C)SCc1ccc(cc1)C(C)(C)C

STK585221
Synonyms: S- benzyl- N- [(4,11- dimethyl- 2- oxo- 6,7,8,9- tetrahydro- 2H- [1]benzofuro[3,2- g]chromen- 3- yl)acetyl]- L- cysteinyl- beta- alanine
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)N[C@H](C(=O)NCCC(=O)O)CSCc1ccccc1

STK585224
Synonyms: 4- amino- 7'- oxo- 2',3',6,6',7,7',11,12- octahydro- 10H- spiro[1,4- dioxepino[2,3- g]pyrido[2,1- a]isoquinoline- 2,8'- [1,4]dioxino[2,3- f]indole]- 3- carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc2OCCOc2c1)cc1c(c3)OCCCO1

STK585225
Synonyms: 4- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: C1COC2(O1)CCN(CC2)c1ncnc2c1c1CCCCc1s2

STK585226
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- benzyl- 7- 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: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1

STK585227
Synonyms: N- {[(2Z)- 6- butyl- 1,3- benzothiazol- 2(3H)- ylidene]carbamothioyl}propanamide
Smiles: CCCCc1ccc2c(c1)s/c(=N\C(=S)NC(=O)CC)/[nH]2

STK585228
Synonyms: 5- (4- ethoxyphenyl)- 4- {[(E)- phenylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1

STK585229
Synonyms: N- (3- hydroxypropyl)- 2- [(7- methyl- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 9- yl)oxy]acetamide
Smiles: OCCCNC(=O)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK585230
Synonyms: 5,10- dimethyl- N- [3- (morpholin- 4- yl)propyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1nc(n2)C(=O)NCCCN1CCOCC1)C

STK585231
Synonyms: 8- (4- benzylpiperidin- 1- yl)- 7- {2- [(4,6- dimethylpyrimidin- 2- yl)sulfanyl]ethyl}- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1cc(C)nc(n1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK585233
Synonyms: N- [1- (4- fluorobenzyl)- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]acetamide
Smiles: CC(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccc(cc1)F)C(F)(F)F

STK585234
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccc(cc1)Cl)c1cccnc1

STK585235
Synonyms: 2- (benzylsulfanyl)- 9- (2- nitrophenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: [O-][N+](=O)c1ccccc1C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK585237
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1COc1ccccc1

STK585238
Synonyms: N- cyclohexyl- 3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]propanamide
Smiles: O=C(NC1CCCCC1)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK585239
Synonyms: 4- [7- (3,4- dichlorophenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]phenol
Smiles: Oc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)Cl

STK585243
Synonyms: (E)- {1- [2- (diethylammonio)ethyl]- 4,5- dioxo- 2- phenylpyrrolidin- 3- ylidene}(4- ethoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CC[NH+](CC)CC)/[O-]

STK585244
Synonyms: N- [(2E)- 3- (2- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 3- phenylpropanamide
Smiles: O=C(/N=C\1/SC2C(N1c1ccccc1F)CS(=O)(=O)C2)CCc1ccccc1

STK585245
Synonyms: ethyl2- {[(Z)- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)methyl]amino}- 4- (2- methylpropyl)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(csc1N/C=C\1/C(=NC(=NC1=O)O)O)CC(C)C

STK585246
Synonyms: (5s,7s)- 5- ethyl- 7- methyl- 2- (2- nitrophenyl)- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1ccccc1[N+](=O)[O-])C

STK585248
Synonyms: N- (3,5- dichlorophenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nnc1COc1ccccc1

STK585249
Synonyms: N- (2,4- dichlorophenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Cl)Cl)nnc1COc1ccccc1

STK585250
Synonyms: (5Z)- 3- benzyl- 5- [1- (cyclopropylamino)propylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/NC1CC1

STK585252
Synonyms: N- [1- (3,4- dimethylphenyl)- 2- hydroxy- 5- oxo- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]benzamide
Smiles: OC1=NC(C(=O)N1c1ccc(c(c1)C)C)(NC(=O)c1ccccc1)C(F)(F)F

STK585254
Synonyms: 5- [(2- hydroxyethyl)amino]- 3- (4- methoxyphenoxy)- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: OCCNc1cc(Oc2ccc(cc2)OC)c2c3c1C(=O)c1ccccc1c3on2

STK585256
Synonyms: 2- [({4- ethyl- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)methyl]- 1H- benzimidazole
Smiles: CCn1c(SCc2nc3c([nH]2)cccc3)nnc1COc1ccc(cc1)C

STK585260
Synonyms: N- [(2E)- 3- (4- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 4- phenylbutanamide
Smiles: O=C(/N=C\1/SC2C(N1c1ccc(cc1)F)CS(=O)(=O)C2)CCCc1ccccc1

STK585262
Synonyms: 7- ethyl- 8- [4- (4- fluorobenzyl)piperazin- 1- yl]- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccc(cc1)F

STK585265
Synonyms: N- (4- bromophenyl)- 2- [(1,5- dicyano- 4- hydroxy- 3- azaspiro[5.5]undeca- 1,3- dien- 2- yl)sulfanyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)N=C(C(C21CCCCC2)C#N)O

STK585266
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 4- (4- chlorophenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Clc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nnc1c1cccc(c1)C

STK585267
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2,4- dimethoxyphenyl)carbonyl]- 2'- (phenylcarbonyl)- 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)c1ccccc1)C(=O)Nc1c2cccc1)cccc3

STK585268
Synonyms: (4E)- 1- {5- [(2,4- dichlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 5- [3- (3- methylbutoxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O)C

STK585269
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(3- propoxyphenyl)carbonyl]- 3'- (thiophen- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCCOc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK585271
Synonyms: 1- (4- tert- butylphenyl)- 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)C(C)(C)C)c1noc(c1)C

STK585272
Synonyms: (3R)- N- [(2S)- 1- (cyclopropylamino)- 4- methyl- 1- oxopentan- 2- yl]- 2,2- dimethyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: CC(C[C@@H](C(=O)NC1CC1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK585273
Synonyms: 1- (3- bromophenyl)- 2- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Brc1cccc(c1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585274
Synonyms: methyl4- {(3E)- 3- [(4- ethoxyphenyl)(hydroxy)methylidene]- 1- [2- (2- hydroxyethoxy)ethyl]- 4,5- dioxopyrrolidin- 2- yl}benzoate
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC)/O)/C1c1ccc(cc1)C(=O)OC

STK585276
Synonyms: 3- {(Z)- [5- iminio- 7- oxo- 2- (propan- 2- yl)- 5H- [1,3,4]thiadiazolo[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+])nc(s2)C(C)C

STK585278
Synonyms: 3- [6- oxo- 6- (piperidin- 1- yl)hexyl]- 1,2,3- benzotriazin- 4(3H)- one
Smiles: O=C(N1CCCCC1)CCCCCn1nnc2c(c1=O)cccc2

STK585279
Synonyms: [2- (bromomethyl)- 1,2- dimethylcyclopentane- 1,3- diyl]dimethanol
Smiles: OCC1CCC(C1(C)CBr)(C)CO

STK585280
Synonyms: 2- {[5- (4- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1Cc1ccco1)c1ccc(cc1)Cl

STK585281
Synonyms: (3S)- N- [(2S)- 1- (2,3- dihydro- 1,4- benzodioxin- 6- ylamino)- 4- (methylsulfanyl)- 1- oxobutan- 2- yl]- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)[C@H]1NCc2c(C1)cccc2

STK585282
Synonyms: 2- (4- chlorophenyl)- 3- (4- methoxybenzyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccc(cc1)Cl

STK585283
Synonyms: 2- {[5- (2- chlorophenyl)- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- fluoro- 4- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1c1ccccc1Cl

STK585286
Synonyms: N- benzyl- 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)acetamide
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)NCc3ccccc3)nnc2c2c1CC(C)(C)OC2

STK585287
Synonyms: 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- (2- methoxy- 4- nitrophenyl)acetamide
Smiles: COc1cc(ccc1NC(=O)CN1CCc2c(C1)cc(c(c2)OC)OC)[N+](=O)[O-]

STK585289
Synonyms: (5E)- 3- benzyl- 5- (1- {[4- (diethylamino)phenyl]amino}ethylidene)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCN(c1ccc(cc1)N/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/C)CC

STK585291
Synonyms: methylN- [(2,4- dimethylphenyl)carbamoyl]- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1C)C

STK585294
Synonyms: 4- {[(E)- (2,4- dimethoxyphenyl)methylidene]amino}- 5- (3- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(OC)ccc1/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK585295
Synonyms: 4- (4- chlorophenyl)- 3- (2- methoxyphenyl)- 5- [(4- methylbenzyl)sulfanyl]- 4H- 1,2,4- triazole
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCc1ccc(cc1)C

STK585297
Synonyms: 3- (3- methoxyphenyl)- 4- (4- methoxyphenyl)- 5- [(3- methylbenzyl)sulfanyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)C)nnc1c1cccc(c1)OC

STK585299
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK585302
Synonyms: N- cyclohexyl- N~2~- {[1- (4- methoxyphenyl)- 5- oxopyrrolidin- 3- yl]carbonyl}- L- leucinamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NC1CCCCC1)CC(C)C

STK585303
Synonyms: 2- (6- oxo- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 7(6H)- yl)- N- (3- phenylpropyl)acetamide
Smiles: O=C(Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2)NCCCc1ccccc1

STK585304
Synonyms: (4Z)- 4- [2- (3,4- dimethoxyphenyl)- 4H- chromen- 4- ylidene]- 2- (4- methoxyphenyl)- 1,3- oxazol- 5(4H)- one
Smiles: COc1ccc(cc1)C1=N/C(=C\2/C=C(Oc3c2cccc3)c2ccc(c(c2)OC)OC)/C(=O)O1

STK585305
Synonyms: 2- (4- chlorophenyl)- 7- (4- fluorophenyl)- 5- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)c1ccc(cc1)Cl)c1ccccc1

STK585307
Synonyms: 8- [(2Z)- 2- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)hydrazinyl]- 6- hydroxy- 3- methyl- 7- propyl- 1,3,6,7- tetrahydro- 2H- purin- 2- one
Smiles: CCCn1c(N/N=C\2/C(=NC(=NC2=O)O)O)nc2c1C(O)NC(=O)N2C

STK585308
Synonyms: N- [5- hydroxy- 2- (phenoxymethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 2- phenylacetamide
Smiles: O=C(Nc1cc(O)nc2n1nc(n2)COc1ccccc1)Cc1ccccc1

STK585309
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- chlorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Cl)nnc1COc1ccc(cc1)Cl

STK585311
Synonyms: 5- (biphenyl- 4- yl)- 7- (4- ethylphenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: CCc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)c1ccccc1

STK585313
Synonyms: 2- hydroxy- 1- (4- methylphenyl)- 1',2',3',3a'- tetrahydro- 4H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 4,6(1H)- dione
Smiles: Cc1ccc(cc1)N1C(=NC(=O)C2(C1=O)Cc1ccccc1N1C2CCC1)O

STK585314
Synonyms: N- [(3Z)- 7- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccccc2)/c2c1nc1cc(C)ccc1c2

STK585317
Synonyms: N'- [(E)- (1- butyl- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C=C/1\C(=O)N=C(N(C1=O)CCCC)S

STK585318
Synonyms: N- {(1Z)- 1- [1- cyano- 2- (cyclopentylamino)- 2- oxoethylidene]- 1H- isoindol- 3- yl}- 4- nitrobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)NC1CCCC1

STK585320
Synonyms: 2- amino- 5- [4- (butan- 2- yl)phenyl]- 6- hydroxy- 3,5- dihydro- 4H- indeno[2',1':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCC(c1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)[nH]c(n2)N)cccc3)C

STK585322
Synonyms: ethyl4- [({[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK585323
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 6- {[(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]methyl}pyrimidin- 4- ol
Smiles: Oc1cc(CSc2nnc(s2)C)nc(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK585324
Synonyms: (3a'S,6a'R)- 5- chloro- 5'- (3- chloro- 4- fluorophenyl)- 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: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)F)Cc1c[nH]c3c1cccc3)C(=O)N2

STK585325
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[4- (prop- 2- en- 1- yl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)OCc2ccccc2)nnc1Cc1cccs1

STK585327
Synonyms: 2- hydroxy- 7- methoxy- 3- {[(E)- (1- methyl- 1H- pyrrol- 2- yl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2nc(n(c1=O)/N=C/c1cccn1C)O

STK585328
Synonyms: 3- [(3a'S,6a'R)- 5'- (butan- 2- yl)- 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]propanamide
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(Cl)cc2)C

STK585329
Synonyms: (5E)- 1- methyl- 5- {[(2- methylpropyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CC(CN/C=C/1\C(=O)N=C(N(C1=O)C)S)C

STK585331
Synonyms: (5E)- 5- {1- [(2- fluorophenyl)amino]propylidene}- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/Nc1ccccc1F

STK585332
Synonyms: N- (4- {[(3Z)- 1- ethyl- 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)/c2c1nc1ccccc1c2

STK585333
Synonyms: 9- (3- chlorophenyl)- 6- (thiophen- 2- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Clc1cccc(c1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1cccs1

STK585334
Synonyms: 5- (3,4- dimethoxyphenyl)- 4- {[(E)- (4- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C

STK585336
Synonyms: (2E)- 3- (3- chloro- 5- ethoxy- 4- propoxyphenyl)- 1- (6,7- dimethoxy- 1- methylidene- 3,4- dihydroisoquinolin- 2(1H)- yl)prop- 2- en- 1- one
Smiles: CCCOc1c(Cl)cc(cc1OCC)/C=C/C(=O)N1CCc2c(C1=C)cc(c(c2)OC)OC

STK585337
Synonyms: 9- (2- chloro- 5- nitrophenyl)- 2- (ethylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cc(ccc1Cl)[N+](=O)[O-]

STK585338
Synonyms: 2- [(2- methoxyphenoxy)methyl]- 10- methyl- 8- phenyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccccc1OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK585339
Synonyms: (5Z)- 6- hydroxy- 5- {[5- (1- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)furan- 2- yl]methylidene}- 2- sulfanylpyrimidin- 4(5H)- one
Smiles: SC1=NC(=O)/C(=C\c2ccc(o2)c2ccc3c(c2)COC3=O)/C(=N1)O

STK585343
Synonyms: N- (3- methoxypropyl)- 2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: COCCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK585344
Synonyms: 3- [(3,4- dichlorobenzyl)sulfanyl]- 5- (4- methoxyphenyl)- 4- phenyl- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccc(c(c1)Cl)Cl

STK585348
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- cyclohexylacetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)NC1CCCCC1

STK585349
Synonyms: N- [2- (3,4- dimethylphenyl)- 6- methyl- 5- oxo- 4- phenyl- 2,5- dihydropyridazin- 3- yl]- 4- nitrobenzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Nc1n(nc(c(=O)c1c1ccccc1)C)c1ccc(c(c1)C)C

STK585350
Synonyms: 1- (2- bromophenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccccc2Br)nnc1c1cnccn1

STK585351
Synonyms: 1'- (4- chlorophenyl)- 2'- hydroxy- 3- phenyl- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 4',6'(1'H)- dione
Smiles: Clc1ccc(cc1)N1C(=NC(=O)C2(C1=O)Cc1ccccc1N1C2CN(CC1)c1ccccc1)O

STK585352
Synonyms: (3a'S,6a'R)- 5'- cycloheptyl- 7- ethyl- 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: CCc1cccc2c1NC(=O)C12NC([C@@H]2[C@H]1C(=O)N(C2=O)C1CCCCCC1)C(O)C

STK585353
Synonyms: (3a'S,6a'R)- 5- fluoro- 5'- (4- fluorophenyl)- 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: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)F)Cc1c[nH]c3c1cccc3)C(=O)N2

STK585356
Synonyms: 6- chloro- 1- hydroxy- 9- oxo- 9H- xanthen- 3- ylN- [(benzyloxy)carbonyl]glycinate
Smiles: O=C(Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)CNC(=O)OCc1ccccc1

STK585357
Synonyms: methylN- (heptan- 2- ylcarbamoyl)- L- methioninate
Smiles: CCCCCC(NC(=O)N[C@H](C(=O)OC)CCSC)C

STK585359
Synonyms: 8- cyclohexyl- 3- [(4- fluorophenyl)sulfonyl]- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: Fc1ccc(cc1)S(=O)(=O)N1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1

STK585360
Synonyms: 8- [(E)- (1- hexyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]- 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: CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=O)N(C)C(=O)N(C2=O)C)/C1=O

STK585361
Synonyms: 3- (1H- benzimidazol- 1- yl)- N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CCn1cnc2c1cccc2

STK585363
Synonyms: (2- {[(2'S,3S,3'S,10b'R)- 2- oxo- 2'- (thiophen- 2- ylcarbonyl)- 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)c1cccs1)C(=O)Nc1c2cccc1)cccc3

STK585365
Synonyms: N- (4- methylphenyl)- 4- phenyl- 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)c1ccccc1

STK585367
Synonyms: 9- (4- fluorophenyl)- 1- methyl- 3- (4- methylbenzyl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: Cc1ccc(cc1)Cn1c(=O)c2n3CCCN(c3nc2n(c1=O)C)c1ccc(cc1)F

STK585368
Synonyms: N- [(2E)- 5,5- dioxido- 3- (prop- 2- en- 1- yl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- (4- methoxyphenyl)acetamide
Smiles: C=CCN1/C(=N\C(=O)Cc2ccc(cc2)OC)/SC2C1CS(=O)(=O)C2

STK585369
Synonyms: N- (7- methoxy- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 1- yl)furan- 2- carboxamide
Smiles: COc1ccc2c(c1)nc1c(c2)CCN1NC(=O)c1ccco1

STK585370
Synonyms: N- (2,5- dichlorophenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK585371
Synonyms: N- (3- chlorophenyl)- 2- (4- oxoquinazolin- 3(4H)- yl)butanamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1cccc(c1)Cl

STK585373
Synonyms: (5E)- 5- {1- [(1,3- benzodioxol- 5- ylmethyl)amino]propylidene}- 6- hydroxy- 3- (4- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/NCc1ccc2c(c1)OCO2

STK585374
Synonyms: 2- ({4- (4- chlorophenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccc(cc1)C

STK585375
Synonyms: 4- [(2E)- 2- {[1- (4- fluorobenzyl)- 1H- indol- 3- yl]methylidene}hydrazinyl]- 5- phenylthieno[2,3- d]pyrimidine
Smiles: Fc1ccc(cc1)Cn1cc(c2c1cccc2)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK585377
Synonyms: 8- {[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]methyl}- 7- ethyl- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK585378
Synonyms: 3- {(2E)- 2- [(5- methoxy- 1H- indol- 3- yl)methylidene]hydrazinyl}- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: COc1ccc2c(c1)c(/C=N/Nc1nnc3c(n1)[nH]c1c3cccc1)c[nH]2

STK585379
Synonyms: 3- (2- chloro- 6- fluorobenzyl)- 8- (3- methoxypropyl)- 1,7- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCCn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1c(F)cccc1Cl

STK585380
Synonyms: methylN- (propylcarbamoyl)- L- methioninate
Smiles: CCCNC(=O)N[C@H](C(=O)OC)CCSC

STK585381
Synonyms: 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 1- (4- fluorophenyl)- 7- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK585383
Synonyms: 4- ({(E)- [4- (diethylamino)- 2- hydroxyphenyl]methylidene}amino)- 5- (4- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCN(c1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)OC)CC

STK585384
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK585385
Synonyms: (3S)- N- {(2S)- 1- oxo- 1- [(1- phenylethyl)amino]propan- 2- yl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C([C@@H](NC(=O)[C@H]1NCc2c(C1)cccc2)C)NC(c1ccccc1)C

STK585386
Synonyms: N- (2,3- dimethylphenyl)- 2- ({4- (4- methoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1COc1ccc(cc1)C

STK585388
Synonyms: 10- (2,4- dihydroxyphenyl)- 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: Oc1ccc(c(c1)O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK585389
Synonyms: 12- (3,4- dimethoxyphenyl)- 2- {[5- methyl- 2- (propan- 2- yl)phenoxy]methyl}- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- ol
Smiles: COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc(nn1cn2)COc1cc(C)ccc1C(C)C)O

STK585391
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(2- methoxyethyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]furan- 2- carboxamide
Smiles: COCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccco1)/C#N

STK585394
Synonyms: (3a'R,8b'S)- 2'- (2- phenylethyl)- 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: O=C1N(CCc2ccccc2)C(=O)[C@@H]2[C@H]1C1CCCN1C12C(=O)Nc2c1cccc2

STK585395
Synonyms: 5- {4- [(2- chlorobenzyl)oxy]phenyl}- N'- [(1E)- 1- phenylethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(cc1)OCc1ccccc1Cl)N/N=C(/c1ccccc1)\C

STK585396
Synonyms: N- (3- methoxypropyl)- 2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: COCCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK585397
Synonyms: 5- (2- chlorophenyl)- 4- {[(E)- (5- methylthiophen- 2- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(s1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK585399
Synonyms: 8- (3- chlorophenyl)- 9- [(2- hydroxyethyl)amino]- 4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7(8H)- one
Smiles: OCCNc1nc2c3c(sc2c(=O)n1c1cccc(c1)Cl)nc(c1c3CCC1)CC(C)C

STK585402
Synonyms: 5,7- dichloro- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1c(OC)cc(cc1OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c(Cl)cc(c1)Cl

STK585403
Synonyms: N- [2- (3,4- dimethylphenyl)- 6- methyl- 4- (4- methylphenyl)- 5- oxo- 2,5- dihydropyridazin- 3- yl]butanamide
Smiles: CCCC(=O)Nc1n(nc(c(=O)c1c1ccc(cc1)C)C)c1ccc(c(c1)C)C

STK585404
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK585405
Synonyms: N'- [(Z)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene}methyl]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)NN/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)O

STK585406
Synonyms: 3- (4- chlorophenyl)- 5- (2- ethyl- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)- 2,6- dihydroxypyrimidin- 4(3H)- one
Smiles: CCN1CCc2c(C1c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)O)[nH]c1c2cccc1

STK585408
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 8- [(2Z)- 2- (2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1cccc(c1)OCC(Cn1c(N/N=C/2\C(=O)Nc3c2cccc3)nc2c1c(O)nc(=O)n2C)O

STK585411
Synonyms: N- (3- chlorophenyl)- 2- {[3- cyano- 5- hydroxy- 4- (4- methoxyphenyl)- 7,7- dimethyl- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)OC

STK585412
Synonyms: 2- [(3a'S,6a'R)- 5- fluoro- 5'- (2- methoxyethyl)- 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: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2

STK585413
Synonyms: 3- methylbutyl[4- (dimethylamino)phenyl]{(phenylamino)[4- (propan- 2- yl)phenyl]methyl}phosphinate
Smiles: CC(CCOP(=O)(C(c1ccc(cc1)C(C)C)Nc1ccccc1)c1ccc(cc1)N(C)C)C

STK585415
Synonyms: 4- chloro- N- [2- (2- methoxyethyl)- 1,2,3,4- tetrahydropyrazino[1,2- a]benzimidazol- 8- yl]benzenesulfonamide
Smiles: COCCN1CCn2c(C1)nc1c2ccc(c1)NS(=O)(=O)c1ccc(cc1)Cl

STK585416
Synonyms: N- (2,4- difluorophenyl)- 2- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)acetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)Nc1ccc(cc1F)F

STK585417
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1cccc(c1)C(F)(F)F

STK585418
Synonyms: 1- (4- methoxybenzyl)- 3- (1- methyl- 1H- benzimidazol- 2- yl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: COc1ccc(cc1)Cn1c(N)c(c2c1nc1ccccc1n2)c1nc2c(n1C)cccc2

STK585419
Synonyms: 7- methyl- 10- (prop- 2- en- 1- yl)- 1,2,3,4,10,11- hexahydro- 5H,9H- benzo[3,4]chromeno[6,7- e][1,3]oxazin- 5- one
Smiles: C=CCN1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCCC2

STK585421
Synonyms: 1- (2- chlorophenyl)- 6- (furan- 2- ylmethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Sc1nc(=O)c2c(n1c1ccccc1Cl)NCN(C2)Cc1ccco1

STK585422
Synonyms: 2- (4- bromophenyl)- 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(cc1)Br

STK585423
Synonyms: N- (2- tert- butylphenyl)- 2- {[4- ethyl- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1Cc1cccs1

STK585425
Synonyms: N- (4- bromo- 2- methylphenyl)- 2- {[4- (4- chlorophenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STK585426
Synonyms: 1,3- dimethyl- 7- (2- methylpropyl)- 8- (piperidin- 1- ylmethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(Cn1c(CN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C)C

STK585428
Synonyms: (3a'S,6a'R)- 5'- (butan- 2- yl)- 7- chloro- 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: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cccc2Cl)C

STK585429
Synonyms: (3a'S,6a'R)- 7- chloro- 3'- (1- hydroxyethyl)- 5'- (2- methoxyethyl)- 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(O)C)C(=O)Nc2c1cccc2Cl

STK585430
Synonyms: (2E)- 3- (3- chlorophenyl)- 1- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)prop- 2- en- 1- one
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)/C=C/c1cccc(c1)Cl

STK585431
Synonyms: 8- [(4- benzylpiperazin- 1- yl)methyl]- 1,3- dimethyl- 7- (3- methylbutyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CCn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK585432
Synonyms: 4- amino- N- [2- hydroxy- 4,6- dioxo- 1- phenyl- 5- (trifluoromethyl)- 4,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)NC1(C(=O)Nc2c1c(=O)nc(n2c1ccccc1)O)C(F)(F)F

STK585433
Synonyms: {[3- (benzyloxy)phenyl](5- hydroxy- 3- methyl- 1H- pyrazol- 4- yl)methyl}propanedinitrile
Smiles: N#CC(C(c1c(O)[nH]nc1C)c1cccc(c1)OCc1ccccc1)C#N

STK585434
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)- 6- (4- chlorophenyl)- 3- (4- methylphenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- epoxy[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: Cc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1O[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK585435
Synonyms: 2- (furan- 2- yl)- 5,10- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1nc(n2)c1ccco1)C

STK585436
Synonyms: 2- {[4- ethyl- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)c2sc3c(n2)ccc(c3)C)nnc1c1cccc(c1)C

STK585437
Synonyms: (2E)- N- [(2E)- 6- (methylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]- 3- (4- propoxyphenyl)prop- 2- enamide
Smiles: CCCOc1ccc(cc1)/C=C/C(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK585438
Synonyms: 2- [(4- amino- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- 1- (4- nitrophenyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK585439
Synonyms: (6,7- dimethoxy- 1- methylidene- 3,4- dihydroisoquinolin- 2(1H)- yl)[1- (4- fluorophenyl)cyclopentyl]methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)C1(CCCC1)c1ccc(cc1)F

STK585441
Synonyms: N- {[(2Z)- 6- butyl- 1,3- benzothiazol- 2(3H)- ylidene]carbamothioyl}naphthalene- 1- carboxamide
Smiles: CCCCc1ccc2c(c1)s/c(=N\C(=S)NC(=O)c1cccc3c1cccc3)/[nH]2

STK585442
Synonyms: 3- benzyl- 8- methoxy- 2- propyl- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1

STK585443
Synonyms: N- (4- chlorophenyl)- 4- (4- methylphenyl)- 1- [4- (propan- 2- yl)phenyl]- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccc(cc1)Cl)c1ccc(cc1)C(C)C

STK585444
Synonyms: 3- chloro- 4- [(4- methylphenyl)amino]- 1- (naphthalen- 1- yl)- 1H- pyrrole- 2,5- dione
Smiles: Cc1ccc(cc1)NC1=C(Cl)C(=O)N(C1=O)c1cccc2c1cccc2

STK585445
Synonyms: 3- chloro- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzamide
Smiles: CC(CN(C(=O)c1cccc(c1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK585446
Synonyms: N- [2- hydroxy- 1- (4- methoxybenzyl)- 5- oxo- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]furan- 2- carboxamide
Smiles: COc1ccc(cc1)CN1C(=NC(C1=O)(NC(=O)c1ccco1)C(F)(F)F)O

STK585448
Synonyms: N- (3- chlorophenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK585449
Synonyms: 4- {[(1E,2Z)- 2- chloro- 3- phenylprop- 2- en- 1- ylidene]amino}- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK585450
Synonyms: 4- {[(E)- (2,6- dichlorophenyl)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/c1c(Cl)cccc1Cl

STK585451
Synonyms: (1'S,3R,3'S,7a'S)- 1'- [(3,4- dimethoxyphenyl)carbonyl]- 5''- fluoro- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1

STK585453
Synonyms: (4E)- 5- (3- chlorophenyl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: Clc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK585455
Synonyms: (1E)- N- {[11- (furan- 2- yl)- 10- methyl- 8- 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)ethanimine
Smiles: COc1ccc(cc1)/C(=N/OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1)/C

STK585458
Synonyms: 3- [3- oxo- 3- (4- phenylpiperazin- 1- yl)propyl]quinazolin- 4(3H)- one
Smiles: O=C(N1CCN(CC1)c1ccccc1)CCn1cnc2c(c1=O)cccc2

STK585459
Synonyms: 1- amino- N- (3- methoxyphenyl)- 8,8- dimethyl- 5- (pyrrolidin- 1- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1

STK585460
Synonyms: 4- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (4- ethoxyphenyl)benzamide
Smiles: CCOc1ccc(cc1)NC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK585461
Synonyms: 8- (2- methoxyethyl)- 1,6,7- trimethyl- 3- (3- phenylpropyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCn1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)CCCc1ccccc1

STK585462
Synonyms: 6- methoxy- N- (pyridin- 3- ylmethyl)- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCc1cccnc1

STK585464
Synonyms: (2E)- 2- (2,3- dihydro- 1H- indol- 1- ylcarbonyl)- 3- (1H- pyrrol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1[nH]ccc1)/C(=O)N1CCc2c1cccc2

STK585465
Synonyms: 8- (3- chloro- 2- methylphenyl)- 3- (2- methoxyethyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1C)Cl

STK585466
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OCc2ccccc2)nnc1Cc1cccs1

STK585468
Synonyms: 2- {[6- cyano- 8,8- dimethyl- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl]sulfanyl}- N- (3,4- dichlorophenyl)acetamide
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCC(=O)Nc3ccc(c(c3)Cl)Cl)nnc2c2c1CC(C)(C)OC2

STK585470
Synonyms: 3- amino- N- [(2E)- 5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 6- (pyridin- 4- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Clc1ccc(cc1)CSc1n[nH]/c(=N\C(=O)c2sc3c(c2N)ccc(n3)c2ccncc2)/s1

STK585473
Synonyms: 2- (10- fluoro- 6- oxo- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 7(6H)- yl)- N- (propan- 2- yl)acetamide
Smiles: CC(NC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F)C

STK585475
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3,4- difluorophenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(c(c1)F)F

STK585478
Synonyms: 11- (4- methoxyphenyl)- 3- phenyl- 10- propyl- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: CCCN1C(c2ccc(cc2)OC)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccccc1

STK585480
Synonyms: 8- (3- chlorophenyl)- 2,11- bis(2- methoxyphenyl)- 10- methyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1OC)c1cccc(c1)Cl

STK585483
Synonyms: 1- methyl- 3- (4- methylbenzyl)- 8- (2- methylphenyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Cc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1C

STK585485
Synonyms: 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 1- (3- propoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCCOc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585486
Synonyms: (E)- {1- butyl- 1'- [2- (dimethylammonio)ethyl]- 2,4',5'- trioxo- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}(2,3- dihydro- 1,4- benzodioxin- 6- yl)methanolate
Smiles: CCCCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\[O-])/C(=O)C(=O)N2CC[NH+](C)C

STK585487
Synonyms: (8S,8aR,11aS)- 10- (3- chlorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)N)C=Cc2c1cccc2

STK585489
Synonyms: N- (4- bromo- 2- methylphenyl)- 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK585490
Synonyms: 1- [(7- hexyl- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)methyl]piperidine- 4- carboxamide
Smiles: CCCCCCn1c(CN2CCC(CC2)C(=O)N)nc2c1c(=O)n(c(=O)n2C)C

STK585492
Synonyms: (3S,3a'R,8a'S,8b'S)- 5- chloro- 7- methyl- 2'- (3- 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: Cc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(Cl)cc2C

STK585493
Synonyms: 2- [(8- methyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)amino]ethanol
Smiles: OCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C

STK585498
Synonyms: 9- (4- butylphenyl)- 3- (2- ethoxyethyl)- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CCCCc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CCOCC

STK585499
Synonyms: 5- (pyridin- 2- yl)- 4- {[(E)- (2,3,4- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1c(ccc(c1OC)OC)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK585501
Synonyms: (5E)- 5- {1- [(3- fluorophenyl)amino]ethylidene}- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: Fc1cccc(c1)N/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/C

STK585502
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- [4- (benzyloxy)- 3- methoxyphenyl]- 6- [2- (dimethylamino)ethyl]- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: COc1cc(ccc1OCc1ccccc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)CCN(C)C

STK585503
Synonyms: 1- (4- chlorophenyl)- 5- methyl[1,2,4]triazolo[4,3- a]quinoline
Smiles: Clc1ccc(cc1)c1nnc2n1c1ccccc1c(c2)C

STK585504
Synonyms: (4E)- 5- (3,4- diethoxyphenyl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(2- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK585506
Synonyms: N- (3,4- difluorophenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK585509
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl)CC

STK585510
Synonyms: 3- (2- bromophenoxy)- 8- [(diethylammonio)methyl]- 2- methyl- 4- oxo- 4H- chromen- 7- olate
Smiles: CC[NH+](Cc1c([O-])ccc2c1oc(C)c(c2=O)Oc1ccccc1Br)CC

STK585511
Synonyms: (2Z)- N- (4- chloro- 2- methylphenyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)ethanamide
Smiles: O=C(Nc1ccc(cc1C)Cl)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK585513
Synonyms: 2- ethoxyethyl(4- oxo- 6- phenylthieno[2,3- d]pyrimidin- 3(4H)- yl)acetate
Smiles: CCOCCOC(=O)Cn1cnc2c(c1=O)cc(s2)c1ccccc1

STK585514
Synonyms: 3- benzyl- 8- (3- chloro- 2- methylphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1

STK585515
Synonyms: 1- (2,4- dichlorobenzyl)- 8- hydrazinyl- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: NNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl

STK585516
Synonyms: 4- hydroxy- 6- (methoxymethyl)- 2- phenyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: COCc1cc(O)c2c(n1)[nH]n(c2=O)c1ccccc1

STK585517
Synonyms: (4- bromo- 3- nitrophenyl)(6,7- dimethoxy- 1- methylidene- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2CCN(C(=C)c2cc1OC)C(=O)c1ccc(c(c1)[N+](=O)[O-])Br

STK585521
Synonyms: 3- (3,4- dichlorophenyl)- 7- methyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccc(cc1Cl)c1nnc2n1cnc1c2cnn1C

STK585523
Synonyms: 1- (3- fluorophenyl)- 4- (4- hydroxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: Oc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)F

STK585524
Synonyms: 2- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}pentanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CCC

STK585525
Synonyms: N- (4- bromo- 3- methylphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK585526
Synonyms: 6,6- dimethyl- 9- (2- methylphenyl)- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1ccccc1C

STK585528
Synonyms: [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl](5- fluoro- 1H- indol- 2- yl)methanone
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK585529
Synonyms: N- [(3Z)- 1- ethyl- 7- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 2,1,3- benzoxadiazole- 4- sulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2cccc3c2non3)/c2c1nc1cc(C)ccc1c2

STK585530
Synonyms: (5E)- 1- (2,3- dichlorophenyl)- 5- ({1- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 1H- indol- 3- yl}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C(N1CCCC1)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1Cl)Cl)S

STK585531
Synonyms: (2'S,3R,7a'S)- 7- chloro- N- (2,5- dimethoxyphenyl)- 5- methyl- 2- oxo- 1,1',2,2',5',6',7',7a'- octahydrospiro[indole- 3,3'- pyrrolizine]- 2'- carboxamide
Smiles: COc1ccc(cc1NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(C)cc1Cl)CCC2)OC

STK585533
Synonyms: 3- {4- [(4- chloronaphthalen- 1- yl)oxy]butyl}- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(c2c1cccc2)Cl

STK585534
Synonyms: 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2OC)nnc1c1ccccc1F

STK585535
Synonyms: (1S,2S)- N'- {(E)- [5- (4- nitrophenyl)furan- 2- yl]methylidene}- 2- phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]

STK585536
Synonyms: 5- fluoro- N- [4- (furan- 2- yl)butan- 2- yl]- N- methyl- 1H- indole- 2- carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N(C(CCc1ccco1)C)C

STK585538
Synonyms: 7- (4- ethylpiperazin- 1- yl)- 4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CCN1CCN(CC1)c1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C

STK585539
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- ethyl- 6- methylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1COc1ccc(cc1)Cl

STK585540
Synonyms: N- {1- [2- (5- fluoro- 1H- indol- 3- yl)ethyl]- 2- hydroxy- 5- oxo- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl}benzamide
Smiles: Fc1ccc2c(c1)c(CCN1C(=NC(C1=O)(NC(=O)c1ccccc1)C(F)(F)F)O)c[nH]2

STK585542
Synonyms: 3- amino- N- [(2E)- 5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 6- (thiophen- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Clc1ccc(cc1)CSc1n[nH]/c(=N\C(=O)c2sc3c(c2N)ccc(n3)c2cccs2)/s1

STK585544
Synonyms: (2S)- N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- methyl- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanamide
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc2c(c1)OCCO2)C

STK585547
Synonyms: 4- {[(E)- (4- bromophenyl)methylidene]amino}- 5- (3- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)Br

STK585548
Synonyms: 7- chloro- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1- phenyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)ccc(c1)Cl

STK585551
Synonyms: N- (3- bromophenyl)- 2- {[4- (4- chlorophenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Br)nnc1c1cccc(c1)C

STK585552
Synonyms: 7- chloro- 1- (3,4- dichlorophenyl)- 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(C1c1ccc(c(c1)Cl)Cl)c(=O)c1c(o2)cc(c(c1)Cl)C

STK585553
Synonyms: 13- (4- fluorophenyl)- 9,10- dimethoxy- 2,3,4,6,7,13- hexahydro- 1H- isoquino[2,1- a]quinolin- 1- one
Smiles: COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(cc2)F)C2=C1CCCC2=O

STK585554
Synonyms: 4- (4- cyclohexylpiperazin- 1- yl)- 2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)C2CCCCC2)n2c(n1)c1c(C)cc(nc1n2)C

STK585555
Synonyms: 8- ethyl- N- hexyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- amine
Smiles: CCCCCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)CC

STK585557
Synonyms: (5E)- 6- hydroxy- 5- ({[2- (piperidin- 1- yl)ethyl]amino}methylidene)- 3- [4- (propan- 2- yl)phenyl]pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C\NCCN2CCCCC2)/C(=O)N1c1ccc(cc1)C(C)C

STK585558
Synonyms: (2Z)- 2- [(2E)- (cyclohex- 3- en- 1- ylmethylidene)hydrazinylidene]- 5- {4- [(difluoromethyl)sulfanyl]benzyl}- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: FC(Sc1ccc(cc1)CC1S/C(=N\N=C\C2CCC=CC2)/N=C1O)F

STK585559
Synonyms: N- (naphthalen- 2- yl)- 4,5,6,7- tetrahydro- 2H- indazole- 3- carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)Nc1ccc2c(c1)cccc2

STK585562
Synonyms: 2- hydroxy- 1- (4- methoxyphenyl)- 6- (1- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: COc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C(c1ccccc1)C

STK585563
Synonyms: 9- (4- ethylphenyl)- 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)c1ccc(cc1)CC

STK585564
Synonyms: (4E)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- [2- (2- hydroxyethoxy)ethyl]- 5- (3- hydroxyphenyl)pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(c2cccc(c2)O)/C(=C(/c2ccco2)\O)/C(=O)C1=O

STK585565
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)acetamide
Smiles: CC(CN(C(=O)C)Cc1cc2cccc(c2[nH]c1=O)C)C

STK585568
Synonyms: 7- ethyl- 8- (2- methoxyphenoxy)- 3,4- dihydro- 2H,6H- pyrimido[2,1- b][1,3]thiazin- 6- one
Smiles: CCc1c(Oc2ccccc2OC)nc2n(c1=O)CCCS2

STK585569
Synonyms: (3S)- N- {(2R)- 1- [(4- ethylphenyl)amino]- 1- oxopropan- 2- yl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: CCc1ccc(cc1)NC(=O)[C@H](NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK585570
Synonyms: dimethyl5- ({(Z)- 2- cyano- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: N#C/C(=C/Nc1sc(c(c1C(=O)OC)C)C(=O)OC)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK585571
Synonyms: (3S,3a'R,8a'S,8b'S)- 5- chloro- 2'- (4- fluorophenyl)- 7- methyl- 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: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(Cl)cc2C

STK585572
Synonyms: 7- butyl- 8- {[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK585573
Synonyms: 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 1- (4- fluorophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585575
Synonyms: N- [(2Z)- 5- {[2- (4- nitrophenyl)- 2- oxoethyl]sulfanyl}- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: CC(=O)/N=c\1/[nH]nc(s1)SCC(=O)c1ccc(cc1)[N+](=O)[O-]

STK585576
Synonyms: 2- [(2,5- dimethylphenyl)sulfonyl]- 6,7- dimethoxy- 1- methyl- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1cc(C)ccc1C

STK585577
Synonyms: 1- (4- ethoxy- 3- methoxyphenyl)- 2- [2- (morpholin- 4- yl)ethyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc(cc1OC)C1N(CCN2CCOCC2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585578
Synonyms: N- (2- chlorophenyl)- 4- (4- chlorophenyl)- 1- (4- ethylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1Cl)cc3c1ccc(cc1)Cl

STK585579
Synonyms: 1- benzyl- 6- (1- phenylethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CC(N1CNc2c(C1)c(=O)nc(n2Cc1ccccc1)S)c1ccccc1

STK585580
Synonyms: methylN- [(4- fluorophenyl)carbamoyl]- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cc1)F

STK585582
Synonyms: 5- methyl- 2- [(naphthalen- 1- ylmethyl)amino][1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: Cc1cc(=O)n2c(n1)[nH]c(n2)NCc1cccc2c1cccc2

STK585584
Synonyms: 8- (azepan- 1- yl)- 7- (4- methoxybenzyl)- 3,4- dihydro- 2H,6H- pyrimido[2,1- b][1,3]thiazin- 6- one
Smiles: COc1ccc(cc1)Cc1c(nc2n(c1=O)CCCS2)N1CCCCCC1

STK585585
Synonyms: 1- (4- fluorophenyl)- N- [(2S)- 3- methyl- 1- oxo- 1- (piperidin- 1- yl)butan- 2- yl]- 5- oxopyrrolidine- 3- carboxamide
Smiles: CC([C@@H](C(=O)N1CCCCC1)NC(=O)C1CC(=O)N(C1)c1ccc(cc1)F)C

STK585588
Synonyms: N- [(2E)- 3- (3- methoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- phenoxyacetamide
Smiles: COc1cccc(c1)CN1/C(=N\C(=O)COc2ccccc2)/SC2C1CS(=O)(=O)C2

STK585590
Synonyms: 7- (2- chlorophenyl)- 3- (furan- 2- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nnc1c1ccco1

STK585591
Synonyms: 3- [(2- chloro- 6- fluorobenzyl)sulfanyl]- 5- phenyl- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazole
Smiles: C=CCn1c(SCc2c(F)cccc2Cl)nnc1c1ccccc1

STK585592
Synonyms: 3- (4- chlorophenyl)- 1'- (2,2- dimethoxyethyl)- 6- hydroxy- 6'- nitro- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: COC(CN1CC2(Cc3c1ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C2=O)c1ccc(cc1)Cl)O)OC

STK585593
Synonyms: 1- benzyl4- (3- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 1- yl)piperidine- 1,4- dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OCc1ccccc1)Oc1cc(C)cc2c1c1CCCCc1c(=O)o2

STK585594
Synonyms: 1',3- dibenzyl- 9- methyl- 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: Cc1ccc2c(c1)cc1c(n2)N2CCC(CC2C2(C1)C(=O)NC(=O)N(C2=O)Cc1ccccc1)Cc1ccccc1

STK585595
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- ethoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK585597
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(3- methoxyphenyl)carbonyl]- 2'- [(4- propylphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK585598
Synonyms: 3- [11- (4- chlorophenyl)- 1- hydroxy- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]- 2- benzofuran- 1(3H)- one
Smiles: Clc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C1OC(=O)c3c1cccc3)cccc2)(C)C

STK585599
Synonyms: 3- [(2E)- 2- {[1- (2,4- dichlorobenzyl)- 1H- indol- 3- yl]methylidene}hydrazinyl]- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: Clc1ccc(c(c1)Cl)Cn1cc(c2c1cccc2)/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1

STK585600
Synonyms: 2- {5- [(4- bromobenzyl)sulfanyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nnc1c1ccccn1

STK585601
Synonyms: (3aR,6aS)- 5- (4- acetylphenyl)- 3- (3,4- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(cc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C

STK585603
Synonyms: 8- {[4- (3- chlorophenyl)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)c2cccc(c2)Cl)nc2c1c(=O)n(c(=O)n2C)C)C

STK585604
Synonyms: propan- 2- yl{[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl)C

STK585605
Synonyms: N- [5- (2- chlorophenyl)- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydro- 6H- pyrrolo[3,4- d]pyrimidin- 6- yl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nn1cc2c(c1c1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK585606
Synonyms: 7- bromo- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (4- propoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCCOc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK585607
Synonyms: 4- (butylsulfanyl)- 2- (3- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CCCCSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)OC

STK585611
Synonyms: 4- (4- ethoxyphenyl)- N,1- bis(4- methoxyphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccc(cc1)OC)c1ccc(cc1)OC

STK585613
Synonyms: (5Z)- 5- [(1- ethyl- 1H- indol- 3- yl)methylidene]- 3- (2- fluorobenzyl)- 2- hydroxy- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: CCn1cc(c2c1cccc2)/C=C/1\N=C(N(C1=O)Cc1ccccc1F)O

STK585616
Synonyms: (1- {2- [(2,4- dimethoxyphenyl)amino]- 2- oxoethyl}piperidinium- 4- yl)(diphenyl)methanolate
Smiles: COc1cc(OC)ccc1NC(=O)C[NH+]1CCC(CC1)C(c1ccccc1)(c1ccccc1)[O-]

STK585618
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK585621
Synonyms: 13- methyl- 1'- phenyl- 1,2,3,4,5,5a- hexahydro- 2'H,7H,8H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2- a]azepine- 6,5'- pyrimidine]- 2',4',6',8(1'H,3'H)- tetrone
Smiles: O=C1NC(=O)C2(C(=O)N1c1ccccc1)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2C

STK585622
Synonyms: 2- {[4- ethyl- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- phenoxyphenyl)acetamide
Smiles: COc1ccccc1c1nnc(n1CC)SCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK585624
Synonyms: (1S,2S)- N'- {(E)- [5- (2- methoxy- 5- nitrophenyl)furan- 2- yl]methylidene}- 2- phenylcyclopropanecarbohydrazide
Smiles: COc1ccc(cc1c1ccc(o1)/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)[N+](=O)[O-]

STK585626
Synonyms: N- (3,5- dimethoxyphenyl)- 2- {[5- (4- fluorophenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(OC)cc(c2)OC)nnc1c1ccc(cc1)F

STK585627
Synonyms: N'- [3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- phenylpropyl]- N,N- diethylpropane- 1,3- diamine
Smiles: CCN(CCCNCCC(c1ccccc1)C1CCOC(C1)(C)C)CC

STK585628
Synonyms: (E)- {1- [3- (diethylammonio)propyl]- 2- (2- fluorophenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(2,3- dihydro- 1,4- benzodioxin- 6- yl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccccc1F)CC

STK585629
Synonyms: 2- amino- 5- hydroxy- 7- methyl- 4- [4- (propan- 2- yl)phenyl]- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)C(C)C)c(O)nc(c2)C

STK585630
Synonyms: 3- (4- methylphenyl)- 4- (3- nitrophenyl)- 5- phenyl- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Cc1ccc(cc1)c1[nH]nc2c1C(c1cccc(c1)[N+](=O)[O-])N(C2=O)c1ccccc1

STK585631
Synonyms: N- (3- bromophenyl)- 2,4- dihydroxy- 6,7- dimethoxyquinoline- 3- carboxamide
Smiles: COc1cc2nc(O)c(c(c2cc1OC)O)C(=O)Nc1cccc(c1)Br

STK585633
Synonyms: (1'S,3R,3'S,7a'S)- 5''- fluoro- 1'- [(4- methylphenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Cc1ccc(cc1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1

STK585634
Synonyms: 3- [(2- chlorobenzyl)sulfanyl]- 5- [(4- chlorophenoxy)methyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(nnc1SCc1ccccc1Cl)COc1ccc(cc1)Cl

STK585635
Synonyms: 8- [2- (diethylamino)ethyl]- 4- hydroxy- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: CCN(CCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C)CC

STK585636
Synonyms: 7- fluoro- 1- (2- fluorophenyl)- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)ccc(c1)F

STK585638
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (4- methylphenyl)- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK585639
Synonyms: 5- (2- bromophenyl)- 4- {[(E)- (3,5- dimethyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccccc1c1n[nH]c(=S)n1/N=C/c1c(C)nn(c1C)c1ccccc1

STK585640
Synonyms: 3- {2- [(4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)amino]- 1,3- thiazol- 4- yl}- 6- nitro- 2H- chromen- 2- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK585641
Synonyms: (3a'S,6a'R)- 3'- benzyl- 7- chloro- 5'- (2- methoxyethyl)- 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)Nc2c1cccc2Cl

STK585642
Synonyms: N- (2- tert- butylphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1c1ccccn1

STK585643
Synonyms: methyl4- [7- chloro- 3,9- dioxo- 2- (2- phenylethyl)- 1,2,3,9- tetrahydrochromeno[2,3- c]pyrrol- 1- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(CCc2ccccc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK585644
Synonyms: N,N- dimethyl- 3- [(2- phenyl- 5,6,7,8- tetrahydroquinazolin- 4- yl)sulfanyl]propan- 1- amine
Smiles: CN(CCCSc1nc(nc2c1CCCC2)c1ccccc1)C

STK585645
Synonyms: 1- (3,4- dichlorophenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: O=C(c1ccc(c(c1)Cl)Cl)CSc1nnc(n1c1ccccc1)c1nccnc1

STK585646
Synonyms: (3a'R,8b'S)- 2'- tert- butyl- 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: Clc1ccc2c(c1)C1(C(=O)N2)N2CCCC2[C@@H]2[C@H]1C(=O)N(C2=O)C(C)(C)C

STK585647
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- (4- fluorophenyl)- 4,5- dihydro- 1,2- oxazole- 5- carboxamide
Smiles: O=C(C1ON=C(C1)c1ccc(cc1)F)Nc1ccc2c(c1)OCCO2

STK585649
Synonyms: ethyl[5- oxo- 2- phenyl- 1- (2- phenylethyl)- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]carbamate
Smiles: CCOC(=O)NC1(N=C(N(C1=O)CCc1ccccc1)c1ccccc1)C(F)(F)F

STK585650
Synonyms: 1,1'- dimethyl- 6'- nitro- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4,6(1H,3H)- trione
Smiles: O=C1NC(=O)C2(C(=O)N1C)CN(C)c1c(C2)cc(cc1)[N+](=O)[O-]

STK585651
Synonyms: N- (2,4- dimethylphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)C)nnc1c1cnccn1

STK585653
Synonyms: N- (3- methoxyphenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccccc1)c1nccnc1

STK585654
Synonyms: N- [(2Z)- 3- (4- acetylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1c1ccc(cc1)C(=O)C)CS(=O)(=O)C2

STK585656
Synonyms: N- (4- fluorophenyl)- 4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexanecarboxamide
Smiles: Fc1ccc(cc1)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK585657
Synonyms: 3- [(3a'S,6a'R)- 5- chloro- 5'- (2- chlorobenzyl)- 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]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cc(Cl)cc1C

STK585658
Synonyms: (5E)- 1- benzyl- 5- [(2- phenyl- 1H- indol- 3- yl)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/c1c([nH]c2c1cccc2)c1ccccc1)Cc1ccccc1

STK585660
Synonyms: (3a'S,6a'R)- 5- fluoro- 3'- (1H- indol- 3- ylmethyl)- 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: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccccc1)Cc1c[nH]c3c1cccc3)C(=O)N2

STK585661
Synonyms: (1Z)- 5- (4- chloro- 2- methylphenoxy)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)pentan- 2- one
Smiles: COc1cc2/C(=C/C(=O)CCCOc3ccc(cc3C)Cl)/NCCc2cc1OC

STK585663
Synonyms: N- butyl- 3- [(5Z)- 5- (4- methylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanamide
Smiles: CCCCNC(=O)CCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

STK585665
Synonyms: N- (3,4- dimethylphenyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CN1CCc2c(C1)cc1c(c2)OCCCO1

STK585666
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1)CC

STK585667
Synonyms: 1,1',3- trimethyl- 6'- nitro- 2'- phenyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4,6(1H,3H)- trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N(C2c1ccccc1)C)[N+](=O)[O-]

STK585668
Synonyms: 3- heptyl- 8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCCCCCCn1cnc2c(c1=O)oc1c2cc2c(n1)CC(OC2)(C)C

STK585669
Synonyms: ethyl2- [1- (furan- 2- yl)- 3,9- dioxo- 3,9- dihydrochromeno[2,3- c]pyrrol- 2(1H)- yl]- 1,3- benzothiazole- 6- carboxylate
Smiles: CCOC(=O)c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccco1)c(=O)c1c(o2)cccc1

STK585671
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK585672
Synonyms: 5- (3- methoxyphenyl)- 4- ({(E)- [4- (trifluoromethyl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(F)(F)F

STK585673
Synonyms: methyl2- amino- 5- oxo- 4- (2,4,5- trimethoxyphenyl)- 5,6,7,8- tetrahydro- 4H- chromene- 3- carboxylate
Smiles: COC(=O)C1=C(N)OC2=C(C1c1cc(OC)c(cc1OC)OC)C(=O)CCC2

STK585675
Synonyms: (5Z)- 5- {1- [(furan- 2- ylmethyl)amino]ethylidene}- 6- hydroxy- 3- (4- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(/NCc2ccco2)\C)/C1=O)O

STK585676
Synonyms: N- (3,5- dimethoxyphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(OC)cc(c2)OC)nnc1c1ccccn1

STK585678
Synonyms: (4E)- 4- {[(3- hydroxyphenyl)amino]methylidene}- 2- (6- methylpyridin- 2- yl)isoquinoline- 1,3(2H,4H)- dione
Smiles: Oc1cccc(c1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(n1)C

STK585679
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- phenylethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1c1cccc(c1)C

STK585680
Synonyms: 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK585681
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1N)c1cc([nH]n1)c1ccccc1

STK585683
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2,4- dichlorophenyl)carbonyl]- 2'- [(4- methylphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2Cl)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK585685
Synonyms: methyl2- ({(Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 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)c1ccc2c(c1)OCO2

STK585688
Synonyms: 2- [4- (2- fluorophenyl)piperazin- 1- yl]- 9- methyl- 3- {(Z)- [3- (2- methylpropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)/C1=O)C

STK585691
Synonyms: 8- [(4- ethylpiperazin- 1- yl)methyl]- 7- (2- fluorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN1CCN(CC1)Cc1nc2c(n1Cc1ccccc1F)c(=O)n(c(=O)n2C)C

STK585692
Synonyms: ethyl4- [1- methyl- 3- (2- methylpropyl)- 2,4- dioxo- 1,2,3,4,6,7- hexahydro- 8H- imidazo[2,1- f]purin- 8- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CC(C)C

STK585693
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [2- (propan- 2- yl)phenyl]acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccccc1C(C)C

STK585694
Synonyms: 1- (2,4- dimethylphenyl)- 1'- methyl- 6'- nitro- 2'- propyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4,6(1H,3H)- trione
Smiles: CCCC1N(C)c2ccc(cc2CC21C(=O)NC(=O)N(C2=O)c1ccc(cc1C)C)[N+](=O)[O-]

STK585695
Synonyms: (4E)- 5- (2- fluorophenyl)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)c1nnc(s1)C)/O

STK585699
Synonyms: 4- {[(E)- (2- hydroxy- 3,5- diiodophenyl)methylidene]amino}- 5- (pyridin- 4- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Ic1cc(/C=N/n2c(=S)[nH]nc2c2ccncc2)c(c(c1)I)O

STK585700
Synonyms: 5- [5- (3- hydroxy- 4- methoxyphenyl)- 1- propanoylpyrazolidin- 3- ylidene]- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(=O)N1NC(=C2C(=O)N(C)C(=O)N(C2=O)C)CC1c1ccc(c(c1)O)OC

STK585701
Synonyms: (E)- 1- benzofuran- 2- yl{1- butyl- 1'- [2- (dimethylammonio)ethyl]- 2,4',5'- trioxo- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}methanolate
Smiles: CCCCN1c2ccccc2C2(C1=O)N(CC[NH+](C)C)C(=O)C(=O)/C/2=C(\c1cc2c(o1)cccc2)/[O-]

STK585702
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (4- fluorophenyl)ethanone
Smiles: Fc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK585703
Synonyms: 2- {[4- (diphenylmethyl)piperazin- 1- yl]carbonyl}- 3,6,6- trimethyl- 6,7- dihydro- 1- benzofuran- 4(5H)- one
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK585706
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[4- ethyl- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1CC)c1cccc(c1)C

STK585707
Synonyms: (4E)- 1- {5- [(2- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- [3- (3- methylbutoxy)phenyl]pyrrolidine- 2,3- dione
Smiles: CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O)C

STK585708
Synonyms: 1- (2- fluorophenyl)- 3- (4- hydroxy- 6- methylpyrimidin- 2- yl)guanidine
Smiles: N=C(Nc1ccccc1F)Nc1nc(C)cc(n1)O

STK585709
Synonyms: N- [(3Z)- 8- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 2,1,3- benzoxadiazole- 4- sulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2cccc3c2non3)/c2c1nc1c(c2)cccc1C

STK585710
Synonyms: 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nnc1COc1ccc(cc1)C

STK585712
Synonyms: N- [4- (4- chlorophenyl)- 2- (4- fluorophenyl)- 6- methyl- 5- oxo- 2,5- dihydropyridazin- 3- yl]cyclohexanecarboxamide
Smiles: Fc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)C1CCCCC1)c1ccc(cc1)Cl

STK585713
Synonyms: 3- (4- fluorophenyl)- 7- (4- methoxyphenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: COc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1)F

STK585714
Synonyms: 6- (4- chlorophenyl)- 3- propyl[1,2,4]triazolo[3,4- a]phthalazine
Smiles: CCCc1nnc2n1nc(c1ccc(cc1)Cl)c1c2cccc1

STK585715
Synonyms: 6- (butan- 2- yl)- 1- (2,3- dimethylphenyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CCC(N1CNc2c(C1)c(=O)nc(n2c1cccc(c1C)C)S)C

STK585716
Synonyms: (2Z,5Z)- 3- (4- hydroxyphenyl)- 2- [(4- hydroxyphenyl)imino]- 5- (4- nitrobenzylidene)- 1,3- thiazolidin- 4- one
Smiles: Oc1ccc(cc1)N1/C(=N/c2ccc(cc2)O)/S/C(=C\c2ccc(cc2)[N+](=O)[O-])/C1=O

STK585717
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[5- (2- methoxyphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)OCc2ccccc2)nnc1c1ccccc1OC

STK585719
Synonyms: N- [(2E)- 4- methylquinazolin- 2(1H)- ylidene]- 5- [3- (morpholin- 4- yl)propyl]- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: Cc1n/c(=N/C2=NCN(CN2)CCCN2CCOCC2)/[nH]c2c1cccc2

STK585720
Synonyms: 8- [(3,4- dimethoxyphenyl)sulfonyl]- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: COc1ccc(cc1OC)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

STK585722
Synonyms: ethyl{[6- cyano- 8,8- dimethyl- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)C

STK585723
Synonyms: 3- (4- methoxybenzyl)- 10- methyl- 2- (2- methylphenyl)pyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccccc1C

STK585724
Synonyms: 3,4,5- trimethoxy- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)benzamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1cccnc1

STK585725
Synonyms: 4- [(E)- {2- [7- (4- fluorobenzyl)- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 9- ium- 8- yl]hydrazinylidene}methyl]phenolate
Smiles: [O-]c1ccc(cc1)/C=N/Nc1[nH+]c2c(n1Cc1ccc(cc1)F)c(O)nc(=O)n2C

STK585726
Synonyms: 2- chloro- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- ylN- (tert- butoxycarbonyl)- 5- methyl- D- norleucinate
Smiles: CC(CC[C@H](C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NC(=O)OC(C)(C)C)C

STK585727
Synonyms: 6- hydroxy- 1'- methyl- 3- (2- methylphenyl)- 6'- nitro- 2'- phenyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CN1c2ccc(cc2CC2(C1c1ccccc1)C(=NC(=O)N(C2=O)c1ccccc1C)O)[N+](=O)[O-]

STK585729
Synonyms: 3- (3- fluorophenyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- imine5,5- dioxide
Smiles: Fc1cccc(c1)N1C(=N)SC2C1CS(=O)(=O)C2

STK585731
Synonyms: 5- (1,5- diphenylpyrazolidin- 3- ylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CN1C(=O)N(C)C(=O)C(=C2CC(N(N2)c2ccccc2)c2ccccc2)C1=O

STK585732
Synonyms: 3- (3- chlorobenzyl)- 1- methyl- 8- (2- methylphenyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Clc1cccc(c1)Cn1c(=O)c2n3CCN(c3nc2n(c1=O)C)c1ccccc1C

STK585733
Synonyms: 3- hexyl- 2- (3,4,5- trimethoxyphenyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CCCCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1cc(OC)c(c(c1)OC)OC

STK585735
Synonyms: 3- [(3- chlorophenyl)sulfonyl]- 2- (4- fluorophenyl)- 9,10- dimethoxy- 6,7- dihydro- 2H- pyrido[2,1- a]isoquinolin- 4- amine
Smiles: COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(cc2)F)C(=C1N)S(=O)(=O)c1cccc(c1)Cl

STK585736
Synonyms: (4E)- 1- (2- bromoethyl)- 4- [hydroxy(phenyl)methylidene]- 5- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: BrCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)OC

STK585737
Synonyms: 1- (2,3- dimethylphenyl)- 2- hydroxy- 6- (1- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CC(N1CNc2c(C1)c(=O)nc(n2c1cccc(c1C)C)O)c1ccccc1

STK585739
Synonyms: 3- [(3a'S,6a'R)- 5'- (4- fluorobenzyl)- 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]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2cccc1

STK585741
Synonyms: 3- (2- chloro- 6- fluorobenzyl)- 8- (3- methoxyphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1c(F)cccc1Cl

STK585742
Synonyms: 2- (2- methoxy- 5- {(E)- [1- (4- methoxyphenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}benzyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O)S

STK585744
Synonyms: 1- (2,3- dimethoxyphenyl)- 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1c(OC)cccc1C1N(c2nc3c(s2)cc(cc3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585745
Synonyms: N'- [(E)- (4- ethoxyphenyl)methylidene]- 6- methoxy- 1H- indole- 2- carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)cc(cc2)OC

STK585746
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cc(C)ccc1OC

STK585747
Synonyms: 5- tert- butyl- N- cyclohexyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(NC2CCCCC2)n2c(n1)c(cn2)c1ccccc1)(C)C

STK585749
Synonyms: 8- bromo- N- (3- chlorophenyl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: Brc1ccc2c(c1)c1ncnc(c1o2)Nc1cccc(c1)Cl

STK585750
Synonyms: 3- (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)sc2c1CCCC2

STK585752
Synonyms: 3- cycloheptyl- 10- methyl- 2- (thiophen- 2- yl)pyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: O=c1c2c(=O)n(C3CCCCCC3)c(nc2n(c2c1cccc2)C)c1cccs1

STK585754
Synonyms: (1S,2S)- 2- phenyl- N'- [(E)- quinoxalin- 5- ylmethylidene]cyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1cccc2c1nccn2

STK585755
Synonyms: 3- (7- hydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- [2- (morpholin- 4- yl)ethyl]propanamide
Smiles: O=C(CCc1c(=O)oc2c(c1C)ccc(c2)O)NCCN1CCOCC1

STK585756
Synonyms: N- (4- fluorophenyl)- 2- (9- methoxy- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)acetamide
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2CC(=O)Nc1ccc(cc1)F

STK585757
Synonyms: N- ethyl- 1- (3- methoxypropyl)- 9- methyl- 4- oxo- N- phenyl- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N(c1ccccc1)CC

STK585761
Synonyms: N- [6- chloro- 3- (naphthalen- 1- yl)- 4- oxo- 4H- chromen- 2- yl]furan- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(=O)c(c(o2)NC(=O)c1ccco1)c1cccc2c1cccc2

STK585762
Synonyms: (10aS)- 2- (4- fluoro- 3- nitrophenyl)- 10,10a- dihydroimidazo[1,5- b]isoquinoline- 1,3(2H,5H)- dione
Smiles: O=C1N2Cc3ccccc3C[C@H]2C(=O)N1c1ccc(c(c1)[N+](=O)[O-])F

STK585764
Synonyms: (2E,5Z)- 2- [(2,4- dimethylphenyl)imino]- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Cc1ccc(c(c1)C)/N=C\1/S/C(=C\C=C\c2ccco2)/C(=N1)O

STK585766
Synonyms: 3- (2- fluorobenzyl)- 1,7- dimethyl- 9- (2- phenylethyl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CC1CN(CCc2ccccc2)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)Cc1ccccc1F

STK585767
Synonyms: 2- chloro- N- [(2Z)- 6- (methylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]- 5- nitrobenzamide
Smiles: Clc1ccc(cc1C(=O)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C)[N+](=O)[O-]

STK585768
Synonyms: N- (1- cyclopropyl[1,2,4]triazolo[4,3- a]quinoxalin- 4- yl)- N- methylbenzenesulfonamide
Smiles: CN(S(=O)(=O)c1ccccc1)c1nc2ccccc2n2c1nnc2C1CC1

STK585769
Synonyms: 4- ethyl- 6- [(2- ethylpiperidinium- 1- yl)methyl]- 8- methyl- 2- oxo- 2H- chromen- 7- olate
Smiles: CCC1CCCC[NH+]1Cc1cc2c(CC)cc(=O)oc2c(c1[O-])C

STK585770
Synonyms: N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylphenyl)benzenesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccccc1)c1ccccc1C

STK585771
Synonyms: 4- {[(E)- (3- chlorophenyl)methylidene]amino}- 5- cyclohexyl- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1cccc(c1)/C=N/n1c(=S)[nH]nc1C1CCCCC1

STK585772
Synonyms: 3- [7- (2- chlorophenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]phenol
Smiles: Oc1cccc(c1)c1nnc2n1cnc1c2cnn1c1ccccc1Cl

STK585773
Synonyms: (1'S,3R,3'S,7a'S)- 5''- chloro- 1'- [(4- fluorophenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1

STK585774
Synonyms: N- (2,3- dimethylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1COc1ccccc1

STK585775
Synonyms: 3,4- dimethyl- 9- [4- (morpholin- 4- ylmethyl)phenyl]- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: O=c1oc2c3CN(COc3ccc2c(c1C)C)c1ccc(cc1)CN1CCOCC1

STK585779
Synonyms: 1'- butyl- 6- hydroxy- 3- (4- methylpentyl)- 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)CCCC(C)C)O)[N+](=O)[O-]

STK585780
Synonyms: 5- [(2E)- 3- (2,4- dimethoxyphenyl)prop- 2- enoyl]- 2,6- dihydroxy- 3- (2- phenylethyl)pyrimidin- 4(3H)- one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1c(O)nc(n(c1=O)CCc1ccccc1)O

STK585781
Synonyms: 10- (4- hydroxy- 3- methoxyphenyl)- 5- (4- methoxyphenyl)- 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: COc1ccc(cc1)c1c2c(=O)n(C)c(=O)n(c2c2n1C(C)(C)COC2c1ccc(c(c1)OC)O)C

STK585783
Synonyms: (4E)- 5- (4- ethylphenyl)- 1- [5- (ethylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 4- [furan- 2- yl(hydroxy)methylidene]pyrrolidine- 2,3- dione
Smiles: CCSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1ccc(cc1)CC

STK585784
Synonyms: 3,4,5- trimethoxy- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)CC(C)C

STK585785
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [4- (diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1CC=C)COc1ccc(cc1)Cl)CC

STK585786
Synonyms: 4- {[(E)- (3,4- dimethoxyphenyl)methylidene]amino}- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1OC)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK585787
Synonyms: 2- (10- fluoro- 6- oxo- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 7(6H)- yl)- N- (3- methoxypropyl)acetamide
Smiles: COCCCNC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F

STK585788
Synonyms: 6- methyl- 3- {(E)- [2- (5- phenylthieno[2,3- d]pyrimidin- 4- yl)hydrazinylidene]methyl}quinolin- 2- ol
Smiles: Cc1ccc2c(c1)cc(c(n2)O)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK585789
Synonyms: [(5S)- 5- (cyclohexylcarbamoyl)- 3- (4- nitrophenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]aceticacid
Smiles: O=C([C@@]1(ON=C(C1)c1ccc(cc1)[N+](=O)[O-])CC(=O)O)NC1CCCCC1

STK585790
Synonyms: 1- [2- (3- hydroxynaphthalen- 2- yl)- 8- methyl- 10- phenyl- 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)c1cc2ccccc2cc1O

STK585792
Synonyms: (5E)- 5- [(1- butyl- 2,3- dihydro- 1H- indol- 5- yl)methylidene]- 3- (3,5- dimethylphenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)c1cc(C)cc(c1)C)O

STK585793
Synonyms: 4- (4- chlorophenyl)- N,1- bis(4- methoxyphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)OC)n2c3c1CCCCn3c(c2)c1ccc(cc1)Cl

STK585794
Synonyms: N- [(2Z)- 3- (1,3- benzodioxol- 5- yl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- ethylbutanamide
Smiles: CCC(C(=O)/N=C/1\SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2)CC

STK585795
Synonyms: 2'- hydroxy- 12- methyl- 1'- pentyl- 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: CCCCCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2C)O

STK585796
Synonyms: 7- (3,4- dichlorophenyl)- 2- (naphthalen- 1- ylmethyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1cc(ccc1Cl)n1ncc2c1ncn1c2nc(n1)Cc1cccc2c1cccc2

STK585797
Synonyms: 5- [4- (dimethylamino)phenyl]- 4- {[(E)- (2,3,4- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(c(c1OC)OC)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)N(C)C

STK585800
Synonyms: 3- [2- (cyclohex- 1- en- 1- yl)ethyl]- 5,8- dimethyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Cc1ccc2c(c1)c1ncn(c(=O)c1n2C)CCC1=CCCCC1

STK585801
Synonyms: ethyl5- ethyl- 2- {[(Z)- (6- hydroxy- 4- oxo- 2- sulfanylpyrimidin- 5(4H)- ylidene)methyl]amino}thiophene- 3- carboxylate
Smiles: CCOC(=O)c1cc(sc1N/C=C\1/C(=NC(=NC1=O)S)O)CC

STK585804
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- ({4- (4- chlorophenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1COc1ccc(cc1)C

STK585805
Synonyms: 3- (4- fluorophenyl)- 12- (furan- 2- yl)- 2,3,4,12- tetrahydrobenzimidazo[2,1- b]quinazolin- 1- ol
Smiles: Fc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccco2)c2c(n3)cccc2)C1)O

STK585806
Synonyms: N- [(2E)- 6- ethyl- 4- methylquinazolin- 2(1H)- ylidene]- 5- (2- methylcyclohexyl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: CCc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)C1CCCCC1C)/[nH]2

STK585809
Synonyms: 5- (2- bromophenyl)- 4- ({(E)- [2- hydroxy- 3- (prop- 2- en- 1- yl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C=CCc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1ccccc1Br

STK585810
Synonyms: N- (furan- 2- ylmethyl)- 4- methoxy- 1H- indole- 2- carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)NCc1ccco1

STK585811
Synonyms: 8- (4- ethylpiperazin- 1- yl)- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinoline
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3N1CCN(CC1)CC

STK585812
Synonyms: (5E)- 3- butyl- 6- hydroxy- 5- (1- {[3- (1H- imidazol- 1- yl)propyl]amino}propylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NCCCn2cncc2)/CC)/C1=O)O

STK585813
Synonyms: 1,3- dimethyl- 8- [(4- methylpiperidin- 1- yl)methyl]- 7- (naphthalen- 1- ylmethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STK585814
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3,4- difluorophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1COc1ccc(cc1)Cl

STK585815
Synonyms: 2- [(2E)- {[5- (4- chloro- 3- nitrophenyl)furan- 2- yl]methylidene}hydrazinylidene]- 2,3- dihydro- 1H- benzimidazole
Smiles: [O-][N+](=O)c1cc(ccc1Cl)c1ccc(o1)/C=N/N=c/1\[nH]c2c([nH]1)cccc2

STK585816
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- methylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)C)nnc1COc1ccc(cc1)Cl

STK585819
Synonyms: 2- methoxy- N- [(2Z)- 3- (4- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: COCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)OC)CS(=O)(=O)C2

STK585820
Synonyms: 10- fluoro- 7- (4- nitrobenzyl)- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 6(7H)- one
Smiles: Fc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2Cc1ccc(cc1)[N+](=O)[O-]

STK585821
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK585822
Synonyms: 5- {2- [(2- chlorobenzyl)oxy]phenyl}- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1OCc1ccccc1Cl)N/N=C/c1ccc(cc1)N(C)C

STK585823
Synonyms: N- (4- acetylphenyl)- 2- hydroxy- 7,7- dimethyl- 5- oxo- 3,4,5,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: OC1=NC2=C(C(C1)C(=O)Nc1ccc(cc1)C(=O)C)C(=O)CC(C2)(C)C

STK585824
Synonyms: 5- (pyridin- 3- ylmethyl)- N- [(2E)- 4,6,7- trimethylquinazolin- 2(1H)- ylidene]- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: Cc1cc2c(C)n/c(=N/C3=NCN(CN3)Cc3cccnc3)/[nH]c2cc1C

STK585825
Synonyms: 3- chloro- N- [5- hydroxy- 2- (phenoxymethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: Clc1cccc(c1)C(=O)Nc1cc(O)nc2n1nc(n2)COc1ccccc1

STK585827
Synonyms: 5- (biphenyl- 4- yl)- 7- (2- chloro- 6- fluorophenyl)- 3,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Fc1cccc(c1C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)c1ccccc1)Cl

STK585828
Synonyms: 2- methoxyethyl1,2- dimethyl- 5- [(2- methylprop- 2- en- 1- yl)oxy]- 1H- indole- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)n(c2c1cc(OCC(=C)C)cc2)C

STK585829
Synonyms: methylN- [(3- hydroxyquinoxalin- 1(2H)- yl)carbonyl]- beta- alaninate
Smiles: COC(=O)CCNC(=O)N1CC(=Nc2c1cccc2)O

STK585830
Synonyms: 6- (propan- 2- yl)- 1- (prop- 2- en- 1- yl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: C=CCn1c(S)nc(=O)c2c1NCN(C2)C(C)C

STK585831
Synonyms: (4E)- 5- (3- chlorophenyl)- 1- {5- [(2- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]pyrrolidine- 2,3- dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)c1nnc(s1)SCc1ccccc1F)/O

STK585832
Synonyms: (4E)- 1- [5- (ethylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 4- [furan- 2- yl(hydroxy)methylidene]- 5- (3- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCSc1nnc(s1)N1C(c2cccc(c2)OC)/C(=C(/c2ccco2)\O)/C(=O)C1=O

STK585835
Synonyms: 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (4- ethoxyphenyl)hexanamide
Smiles: CCOc1ccc(cc1)NC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK585836
Synonyms: 4- ({[5- phenyl- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzonitrile
Smiles: C=CCn1c(SCc2ccc(cc2)C#N)nnc1c1ccccc1

STK585837
Synonyms: (2S)- 2- amino- N'- [(E)- (6- methoxyquinolin- 2- yl)methylidene]- 4- (methylsulfanyl)butanehydrazide(non- preferredname)
Smiles: CSCC[C@@H](C(=O)N/N=C/c1ccc2c(n1)ccc(c2)OC)N

STK585840
Synonyms: (5Z)- 5- (2- fluorobenzylidene)- 3- {2- oxo- 2- [2- (pyridin- 3- yl)piperidin- 1- yl]ethyl}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: O=C(N1CCCCC1c1cccnc1)CN1C(=S)S/C(=C\c2ccccc2F)/C1=O

STK585842
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(3- nitrophenyl)carbonyl]- 2'- {[2- (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=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK585843
Synonyms: 1- (benzylsulfanyl)- 4- (3- chlorophenyl)- 8- methyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCc1ccccc1)nn2)c1cccc(c1)Cl

STK585845
Synonyms: 3- chloro- N- (2- methoxyethyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COCCN(C(=O)c1cccc(c1)Cl)Cc1cc2ccccc2[nH]c1=O

STK585846
Synonyms: 2- (3,5- dihydroxy- 1,2,4- triazin- 6- yl)- N'- [(E)- (3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cc1nnc(nc1O)O)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK583956
Synonyms:
Smiles: CCC([C@H](C(=O)OC)NC(=O)Nc1ccc(cc1)C(=O)C)C

STK599115
Synonyms:
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1C)C(O)C

STK610158
Synonyms:
Smiles: CCC([C@@H](C(=O)NC1CCCCC1)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1)C

STK756415
Synonyms:
Smiles: Cc1cccc(c1OP(=O)(Oc1c(C)cccc1C)N/N=C/c1ccncc1)C

STK578111
Synonyms:
Smiles: CCOC(=O)c1cccc(c1)NC(=O)N[C@H](C(=O)OC)C(CC)C

STK615472
Synonyms:
Smiles: CCC([C@@H](C(=O)Nc1nccs1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1)C

STK597966
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCCCOC(C)C)C

STK543857
Synonyms:
Smiles: O=S(=O)(c1cccc2c1nsn2)Nc1nc2ccccc2nc1Nc1ccc(cc1)S(=O)(=O)N

STK614655
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)N1CCn2c1nc1c2cccc1)C

STK543313
Synonyms:
Smiles: Cc1cc(ccc1C)Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc2c1nsn2

STK672905
Synonyms:
Smiles: COc1ccc(cc1Br)/C=N/NP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C

STK571340
Synonyms:
Smiles: CCC([C@@H](C(=O)N/N=C/C1=Cc2c(OC1)cccc2)NC(=O)OC(C)(C)C)C

STK546133
Synonyms:
Smiles: O=C(C1[C@@H]2[C@H]1CCCC2)NNC(=O)c1ccc(=O)oc1

STK544004
Synonyms:
Smiles: O=S(=O)(c1cccc2c1nsn2)Nc1nc2ccccc2nc1Nc1ccccc1

STK585847
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 5- (3- propoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK585848
Synonyms: 7- (2,5- dimethylbenzyl)- 1,3- dimethyl- 8- [(4- phenylpiperazin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(c(c1)Cn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK585849
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK585850
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nnc1COc1ccccc1

STK585851
Synonyms: 2- [(2- hydroxyethyl)amino]- 3- (2- phenylethyl)- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: OCCNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCCC3

STK585852
Synonyms: 2- [(3a'S,6a'R)- 5'- (butan- 2- yl)- 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: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(Cl)cc2)C

STK585854
Synonyms: N- (3- chloro- 4- fluorophenyl)- 4,5,6- trimethoxy- 1H- indole- 2- carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)Nc1ccc(c(c1)Cl)F

STK585855
Synonyms: ethyl4- [(3E)- 3- [hydroxy(phenyl)methylidene]- 2- (3- nitrophenyl)- 4,5- dioxopyrrolidin- 1- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccccc2)\O)/C(=O)C1=O

STK585856
Synonyms: 7- bromo- 2- methyl- 1- (thiophen- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Brc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccs1)C

STK585858
Synonyms: 8- methoxy- 2,3- dihydro- 1,4- benzodioxine- 6- carbaldehyde
Smiles: O=Cc1cc(OC)c2c(c1)OCCO2

STK585860
Synonyms: N- (3- 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)Nc1cccc(c1)Cl)cc3c1ccc(cc1)OC

STK585861
Synonyms: (3S,3a'S,8a'S,8b'R)- 5- bromo- 2'- (tetrahydrofuran- 2- ylmethyl)- 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: Brc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)CC1CCCO1

STK585862
Synonyms: 8- methoxy- 2,2- dimethyl- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3OC

STK585863
Synonyms: (3a'S,6a'R)- 7- 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)Nc3c2cccc3Cl)ccc1OC

STK585865
Synonyms: 4- {[(E)- (4- chloro- 3- nitrophenyl)methylidene]amino}- 5- (4- chlorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK585868
Synonyms: 2- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 1- (4- fluorophenyl)- 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)cccc1

STK585869
Synonyms: N- [(2E)- 6- methoxy- 1,3- benzothiazol- 2(3H)- ylidene]- 2- (4- phenylpiperazin- 1- yl)acetamide
Smiles: COc1ccc2c(c1)s/c(=N/C(=O)CN1CCN(CC1)c1ccccc1)/[nH]2

STK585870
Synonyms: 5- (3- ethoxyphenyl)- 4- ({(E)- [2- (trifluoromethyl)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1C(F)(F)F

STK585874
Synonyms: N- (3,5- dimethylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1COc1ccccc1

STK585875
Synonyms: (3R,3'S,3a'S,6a'R)- 5'- (3,4- dichlorophenyl)- 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: CSCC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)Cl)C(=O)Nc1c2cccc1

STK585877
Synonyms: N- {[1- (4- {[3- (3,5- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]amino}butanoyl)piperidin- 4- yl]carbonyl}- beta- alanine
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C)NCCCC(=O)N1CCC(CC1)C(=O)NCCC(=O)O

STK585878
Synonyms: 6- butyl- 1- (2- chlorophenyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CCCCN1CNc2c(C1)c(=O)nc(n2c1ccccc1Cl)S

STK585879
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (4- propoxyphenyl)- N'- {(E)- [4- (trifluoromethyl)phenyl]methylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)C(F)(F)F

STK585880
Synonyms: 8- [(4- ethylpiperazin- 1- ium- 1- yl)methyl]- 3- (4- methoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1ccc(cc1)OC)C(F)(F)F

STK585881
Synonyms: 5- (4- chlorophenyl)- 6- [2- (hydroxymethyl)phenyl]- 1,3- dimethyl- 1H- pyrrolo[3,4- d]pyrimidine- 2,4(3H,6H)- dione
Smiles: OCc1ccccc1n1cc2c(c1c1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK585883
Synonyms: 2- {[3- cyano- 6- hydroxy- 4- (4- methylphenyl)- 4,5- dihydropyridin- 2- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)N=C(CC1c1ccc(cc1)C)O

STK585886
Synonyms: 10- [2- (3- fluorophenyl)ethyl]- 7- methyl- 1,2,3,4,10,11- hexahydro- 5H,9H- benzo[3,4]chromeno[6,7- e][1,3]oxazin- 5- one
Smiles: Fc1cccc(c1)CCN1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCCC2

STK585888
Synonyms: 10- (2,3- dimethoxyphenyl)- 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)c1cccc(c1OC)OC

STK585889
Synonyms: 5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl][1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Oc1cc(CSc2nc3c(s2)cccc3)nc2n1ncn2

STK585890
Synonyms: 8- (2,5- dimethyl- 1H- pyrrol- 1- yl)- 3- (2- methoxyphenyl)- 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: COc1ccccc1N1CCN2C(C1)C1(Cc3c2ccc(c3)n2c(C)ccc2C)C(=O)N(C)C(=O)N(C1=O)C

STK585892
Synonyms: 2- {[3- cyano- 4- (furan- 2- yl)- 6- hydroxy- 4,5- dihydropyridin- 2- yl]sulfanyl}- N- (3,4- dichlorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)Cl)N=C(CC1c1ccco1)O

STK585893
Synonyms: 1- ethyl- 3- nitro- 4- (thiomorpholin- 4- yl)quinolin- 2(1H)- one
Smiles: CCn1c2ccccc2c(c(c1=O)[N+](=O)[O-])N1CCSCC1

STK585894
Synonyms: 4- {(6E)- 6- [(5- bromofuran- 2- yl)methylidene]- 5- iminio- 7- oxo- 6,7- dihydro- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl}phenolate
Smiles: [O-]c1ccc(cc1)c1nn2c(=NC(=O)/C(=C/c3ccc(o3)Br)/C2=[NH2+])s1

STK585895
Synonyms: 2- chloro- N- [7- (4- chlorophenyl)- 5- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]benzamide
Smiles: Clc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)c1ccccc1Cl)c1ccccc1

STK585896
Synonyms: 12,12- dimethyl- 7- [(2- phenylethyl)sulfanyl]- 12,13- dihydro- 10H- pyrano[4',3':4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)n2c(SCCc3ccccc3)nnc2n2c1ncn2

STK585898
Synonyms: 2- {[5- (4- tert- butylphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(C)C)nnc1c1ccc(cc1)C(C)(C)C

STK585900
Synonyms: N- (4- bromophenyl)- 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK585901
Synonyms: 4- {(2E)- 2- [(1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)methylidene]hydrazinyl}benzoicacid
Smiles: COc1ccc2c(c1)c(/C=N/Nc1ccc(cc1)C(=O)O)c(n2Cc1ccccc1)C

STK585902
Synonyms: 4- [(2E)- 2- (anthracen- 9- ylmethylidene)hydrazinyl]- 5- (4- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1N/N=C/c1c2ccccc2cc2c1cccc2

STK585903
Synonyms: 4- [(2E)- 2- {[1- (2- fluorobenzyl)- 1H- indol- 3- yl]methylidene}hydrazinyl]benzoicacid
Smiles: Fc1ccccc1Cn1cc(c2c1cccc2)/C=N/Nc1ccc(cc1)C(=O)O

STK585905
Synonyms: (5E)- 5- {[1- (2- methoxyethyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 1- phenyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COCCn1c(C)cc(c1C)/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1)S

STK585906
Synonyms: 3- [(2- ethyl- 6- methylphenyl)amino]- 6,7- dimethoxy- 2- benzofuran- 1(3H)- one
Smiles: COc1ccc2c(c1OC)C(=O)OC2Nc1c(C)cccc1CC

STK585909
Synonyms: (3E)- 3- (furan- 2- ylmethylidene)- 4- imino- 7,8- dimethyl- 3,4- dihydro- 2H- pyrimido[2,1- b][1,3]benzothiazol- 2- one
Smiles: O=C1N=c2sc3c(n2C(=N)/C/1=C\c1ccco1)cc(c(c3)C)C

STK585910
Synonyms: 4- [(4- chlorophenyl)carbonyl]- 2- (4- ethylphenyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: CCc1ccc(cc1)N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(cc2)Cl)CCC1

STK585911
Synonyms: (3R)- N- (3- butoxypropyl)- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: CCCCOCCCNC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1

STK585912
Synonyms: N- [(2Z)- 3- (3- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: Fc1cccc(c1)N1/C(=N/C(=O)C)/SC2C1CS(=O)(=O)C2

STK585913
Synonyms: N- (furan- 2- ylmethyl)- 3- nitro- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])N(Cc1cc2ccccc2[nH]c1=O)Cc1ccco1

STK585914
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2- propoxyphenyl)carbonyl]- 2'- (thiophen- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3

STK585917
Synonyms: 4- [({[5- (furan- 2- yl)- 4- (naphthalen- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CSc1nnc(n1c1cccc2c1cccc2)c1ccco1

STK585919
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK585920
Synonyms: 3- [2- (2- methoxyphenyl)ethyl]- 5,8- dimethyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccccc1CCn1cnc2c(c1=O)n(C)c1c2cc(cc1)C

STK585921
Synonyms: 7- chloro- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (2,3,4- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1c(ccc(c1OC)OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK585922
Synonyms: 4- methyl- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccc(cc1)C)Cc1cc2cccc(c2[nH]c1=O)C)C

STK585923
Synonyms: 5- [3- (benzyloxy)phenyl]- N'- [(E)- (4- methylphenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: Cc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1

STK585924
Synonyms: 2- [(1,3- benzoxazol- 2- ylsulfanyl)methyl]- 11- (furan- 2- yl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1nn(c2c1C(c1ccco1)c1c(O2)ncn2c1nc(n2)CSc1nc2c(o1)cccc2)c1ccccc1

STK585926
Synonyms: (5Z)- 5- [1- acetyl- 5- (4- ethoxyphenyl)pyrazolidin- 3- ylidene]- 1- [2- (cyclohex- 1- en- 1- yl)ethyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)C1C/C(=C/2\C(=O)NC(=O)N(C2=O)CCC2=CCCCC2)/NN1C(=O)C

STK585927
Synonyms: (3R)- N- [(2S)- 1- (cycloheptylamino)- 1- oxopropan- 2- yl]- 2,2- dimethyl- 5- oxo- 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)NC1CCCCCC1

STK585928
Synonyms: 2- phenyl- 12- (pyridin- 3- yl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2cccnc2)c2nc(nn2cn1)c1ccccc1

STK585929
Synonyms: 2- methoxy- 6- {4- [3- (propan- 2- yloxy)phenoxy]quinazolin- 2- yl}phenol
Smiles: COc1cccc(c1O)c1nc(Oc2cccc(c2)OC(C)C)c2c(n1)cccc2

STK585930
Synonyms: 2- {(E)- [2- (2,4,6- trichlorophenyl)hydrazinylidene]methyl}quinoxaline
Smiles: Clc1cc(Cl)c(c(c1)Cl)N/N=C/c1cnc2c(n1)cccc2

STK585933
Synonyms: [4- chloro- 3- (3,4- dihydroisoquinolin- 2(1H)- ylsulfonyl)phenyl](6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(c(c1)S(=O)(=O)N1CCc2c(C1)cccc2)Cl

STK585937
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- 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(n1Cc1ccco1)c1ccccc1

STK585938
Synonyms: 8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (3- phenylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccccc1N1CCN(CC1)Cc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

STK585939
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (4- methoxyphenyl)- 1- {5- [(4- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK585940
Synonyms: (1'S,3R,3'S,7a'S)- 7''- chloro- 1'- [(3- propoxyphenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: CCCOc1cccc(c1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1Cl

STK585942
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (4- ethoxyphenyl)- N'- {(E)- [4- (propan- 2- yloxy)phenyl]methylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)OC(C)C

STK585944
Synonyms: (3a'S,6a'R)- 5- bromo- 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)Nc2c1cc(Br)cc2

STK585945
Synonyms: N- (3,4- dimethylphenyl)- 2,2- dimethyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]propanamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)C(C)(C)C)c1ccc(c(c1)C)C

STK585946
Synonyms: 10- (2- hydroxy- 3- methoxyphenyl)- 5- (4- methoxyphenyl)- 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: COc1ccc(cc1)c1c2c(=O)n(C)c(=O)n(c2c2n1C(C)(C)COC2c1cccc(c1O)OC)C

STK585947
Synonyms: ([(3- methylbenzyl)sulfanyl]{[3- (trifluoromethyl)phenyl]amino}methylidene)propanedinitrile
Smiles: N#CC(=C(Nc1cccc(c1)C(F)(F)F)SCc1cccc(c1)C)C#N

STK585948
Synonyms: 6,6- dimethyl- 9- (3- phenoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2cccc(c2)Oc2ccccc2)ncn3)CC(C1)(C)C

STK585949
Synonyms: 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- fluorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2F)nnc1COc1ccc(cc1)C

STK585950
Synonyms: N- [3- (4- methoxyphenyl)- 4- oxo- 4H- chromen- 2- yl]- 3- nitrobenzamide
Smiles: COc1ccc(cc1)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])oc2c(c1=O)cccc2

STK585951
Synonyms: N- (2,6- dimethylphenyl)- 5- (2- hydroxyphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1c(C)cccc1C

STK585954
Synonyms: 8- [4- (4- methoxyphenyl)piperazin- 1- yl]- 3,4- dihydro- 2H,6H- pyrimido[2,1- b][1,3]thiazin- 6- one
Smiles: COc1ccc(cc1)N1CCN(CC1)c1cc(=O)n2c(n1)SCCC2

STK585955
Synonyms: (4Z)- 6- [(4- benzylpiperazin- 1- yl)methyl]- 4- [(2,4- dimethylphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc(c(c1)C)/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)Cc1ccccc1

STK585956
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1

STK585959
Synonyms: 2',6'- dihydroxy- 12- methyl- 2,3,4,4a- tetrahydro- 1H,4'H,6H,7H- spiro[pyrido[1',2':1,2]pyrimido[5,4- c]quinolizine- 5,5'- pyrimidine]- 4',7- dione
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1c(N3C2CCCC3)nc2n(c1=O)cccc2C

STK585960
Synonyms: 2- (methylsulfanyl)- 9- (thiophen- 2- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cccs1

STK585961
Synonyms: (3a'R,8b'S)- 7- chloro- 2'- (2- methoxyethyl)- 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: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(N3C2CCC3)C(=O)Nc2c1cccc2Cl

STK585962
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- (6- methoxy- 1,3- benzothiazol- 2- yl)- 5- [4- (propan- 2- yl)phenyl]pyrrolidine- 2,3- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)C(C)C

STK585964
Synonyms: propan- 2- yl(4- hydroxy- 6- methyl- 2- phenylpyrimidin- 5- yl)acetate
Smiles: CC(OC(=O)Cc1c(C)nc(nc1O)c1ccccc1)C

STK585965
Synonyms: N- [(2E)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: CCc1n[nH]/c(=N\C(=O)c2ccccc2)/s1

STK585966
Synonyms: 2- ({[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: Clc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1COc1ccccc1

STK585969
Synonyms: N- (3- chloro- 4- fluorophenyl)- 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(c(c2)Cl)F)nnc1COc1ccc(cc1)Cl

STK585970
Synonyms: 3- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4- (prop- 2- en- 1- yl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazole
Smiles: C=CCn1c(SC/C=C/c2ccccc2)nnc1Cc1cccs1

STK585971
Synonyms: 2- {[4- ethyl- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- fluoro- 4- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1Cc1cccs1

STK585972
Synonyms: 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)(methyl)amino]ethanol
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N(CCO)C

STK585974
Synonyms: 2- (4- chlorophenyl)- 3- (4- methoxybenzyl)- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)Cl

STK585976
Synonyms: 5- (2- chlorophenyl)- 4- {[(E)- (3- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK585978
Synonyms: (4R,4aS)- 2- amino- 4- (4- methoxyphenyl)- 6- phenyl- 4a,5,6,7- tetrahydronaphthalene- 1,3,3(4H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCC(C2)c1ccccc1)c1ccc(cc1)OC)(C#N)C#N

STK585981
Synonyms: N- (3,4- dimethylphenyl)- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]furan- 2- carboxamide
Smiles: O=C(N(c1ccc(c(c1)C)C)Cc1cc2cccc(c2[nH]c1=O)C)c1ccco1

STK585982
Synonyms: 2- {[4- amino- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- methyl- 6- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1c(C)cccc1C(C)C)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK585983
Synonyms: 4- [(E)- {[5- thioxo- 3- (3,4,5- trimethoxyphenyl)- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoicacid
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)O

STK585985
Synonyms: N- [(2Z)- 3- (3- chloro- 4- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1c1ccc(c(c1)Cl)F)CS(=O)(=O)C2

STK585986
Synonyms: N- (2- tert- butylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1c1ccc(cc1)C

STK585988
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2- methoxyphenyl)methylidene]- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1OC

STK585989
Synonyms: 2- [(6- chloro- 4- ethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 2- ylmethyl)acetamide
Smiles: CCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCc1ccccn1

STK585991
Synonyms: 4- methoxy- N- {1- methyl- 4- oxo- 3- [3- (trifluoromethyl)phenyl]- 1,4- dihydroquinolin- 2- yl}benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1n(C)c2ccccc2c(=O)c1c1cccc(c1)C(F)(F)F

STK585994
Synonyms: 3- (4- fluorobenzyl)- 1- methyl- 9- (2- methylphenyl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: Fc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccccc1C

STK585996
Synonyms: (3S,3a'R,8a'S,8b'S)- 5- chloro- 2'- (3,4- dichlorophenyl)- 7- methyl- 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: Clc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl

STK585997
Synonyms: 4- (furan- 2- ylmethyl)- 3- [(3- methylbenzyl)sulfanyl]- 5- (3- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1cccc(c1)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK585998
Synonyms: ethyl4- [1- methyl- 2,4- dioxo- 3- (2- phenylethyl)- 1,2,3,4,7,8- hexahydropyrimido[2,1- f]purin- 9(6H)- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CCc1ccccc1

STK585999
Synonyms: 1,3- dimethyl- 1'- (2- methylpropyl)- 6'- nitro- 2'- (propan- 2- yl)- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4,6(1H,3H)- trione
Smiles: CC(CN1c2ccc(cc2CC2(C1C(C)C)C(=O)N(C)C(=O)N(C2=O)C)[N+](=O)[O-])C

STK586000
Synonyms: 2- ({3- [(Z)- (2- hydroxy- 5- oxo- 1- phenyl- 1,5- dihydro- 4H- imidazol- 4- ylidene)methyl]- 1H- indol- 1- yl}methyl)benzonitrile
Smiles: N#Cc1ccccc1Cn1cc(c2c1cccc2)/C=C/1\N=C(N(C1=O)c1ccccc1)O

STK586001
Synonyms: 5- phenyl- 4- [(2E)- 2- {[1- (propan- 2- yl)- 1H- indol- 3- yl]methylidene}hydrazinyl]thieno[2,3- d]pyrimidine
Smiles: CC(n1cc(c2c1cccc2)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1)C

STK586002
Synonyms: methylN- {(E)- [4- hydroxy- 1- (2- methylphenyl)- 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)c1ccccc1C)O

STK586003
Synonyms: N- [(2Z)- 3- (2,4- dimethoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: COc1cc(OC)ccc1N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2

STK586004
Synonyms: 2- [({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)methyl]- 1H- benzimidazole
Smiles: Clc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCc1nc2c([nH]1)cccc2

STK586005
Synonyms: 2- amino- 5- hydroxy- 4- (4- hydroxy- 3- methoxyphenyl)- 4H- pyrano[3,2- c]quinoline- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)OC)O)c(O)nc1c2cccc1

STK586007
Synonyms: 8- {[4- (2- hydroxyethyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- [2- (morpholin- 4- yl)ethyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCN1CCN(CC1)Cc1nc2c(n1CCN1CCOCC1)c(=O)n(c(=O)n2C)C

STK586008
Synonyms: 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- oxoethyl5- (phenoxymethyl)furan- 2- carboxylate
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)COC(=O)c1ccc(o1)COc1ccccc1

STK586010
Synonyms: (5E)- 5- {1- [(3,3- diphenylpropyl)amino]ethylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(/NCCC(c2ccccc2)c2ccccc2)\C)/C(=N1)O

STK586011
Synonyms: N- (4- acetylphenyl)- 2- {[5- tert- butyl- 3- (4- chlorophenyl)- 2- methylpyrazolo[1,5- a]pyrimidin- 7- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)C(C)(C)C

STK586012
Synonyms: 2,6- dihydroxy- 3- (2- phenylethyl)- 5- [(2E)- 3- phenylprop- 2- enoyl]pyrimidin- 4(3H)- one
Smiles: O=C(c1c(O)nc(n(c1=O)CCc1ccccc1)O)/C=C/c1ccccc1

STK586013
Synonyms: N- (3,5- dichlorophenyl)- 2- (7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CN1CCc2c(C1C)cc1c(c2)OCCCO1

STK586014
Synonyms: 4- {[(E)- (3,4- dichlorophenyl)methylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK586015
Synonyms: 4- (2,4- dichlorophenoxy)- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(Oc2ccc(cc2Cl)Cl)c2c(n1)cccc2)C

STK586017
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 6- tert- butyl- 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)C(C)(C)C

STK586019
Synonyms: 2- [(2,3- dichlorophenyl)amino]- 8- methyl- 4- phenyl- 4,9- dihydro- 6H- pyrimido[1,2- a][1,3,5]triazin- 6- one
Smiles: Cc1[nH]c2=NC(=NC(n2c(=O)c1)c1ccccc1)Nc1cccc(c1Cl)Cl

STK586020
Synonyms: 1- {[1,3- dimethyl- 7- (3- methylbutyl)- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]methyl}piperidine- 4- carboxamide
Smiles: CC(CCn1c(CN2CCC(CC2)C(=O)N)nc2c1c(=O)n(c(=O)n2C)C)C

STK586021
Synonyms: 3- (2- chlorobenzyl)- 8- (4- methoxyphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1Cl

STK586022
Synonyms: 3- (2- ethoxyphenyl)- 2,6- dihydroxy- 5- (3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)pyrimidin- 4(3H)- one
Smiles: CCOc1ccccc1n1c(O)nc(c(c1=O)C1OC(=O)c2c1cccc2)O

STK586023
Synonyms: 7- bromo- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (3- nitrophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Brc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1noc(c1)C

STK586024
Synonyms: methyl[1- (7- methyl- 4- oxo- 3- {(Z)- [4- oxo- 3- (propan- 2- yl)- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 4H- pyrido[1,2- a]pyrimidin- 2- yl)- 3- oxopiperazin- 2- yl]acetate
Smiles: COC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(C)C)C

STK586025
Synonyms: 3- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 5- [(4- methoxybenzyl)sulfanyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK586026
Synonyms: 3- cyclopentyl- N- [(2Z)- 3- (2,4- difluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]propanamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccc(cc1F)F)CS(=O)(=O)C2)CCC1CCCC1

STK586027
Synonyms: 4- {[(E)- phenylmethylidene]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/c1ccccc1)C

STK586028
Synonyms: 5- (2- methoxyphenyl)- 4- ({(E)- [4- (pentyloxy)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCCCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK586029
Synonyms: 8- (4- fluorophenyl)- 1,6,7- trimethyl- 3- (2- methylprop- 2- en- 1- yl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: CC(=C)Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccc(cc1)F

STK586031
Synonyms: N- (4- fluorophenyl)- 2- {[4- (4- methoxyphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)F)nnc1c1ccccn1

STK586032
Synonyms: 5- {4- [(4- chlorobenzyl)oxy]phenyl}- N'- [(E)- (2- chloro- 6- fluorophenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: Clc1ccc(cc1)COc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C/c1c(F)cccc1Cl

STK586035
Synonyms: N- (2- bromo- 4- methylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Br)C)nnc1Cc1cccs1

STK586037
Synonyms: (1E,2E)- 1- {2- (2,5- dimethoxyphenyl)- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}- 3- phenylprop- 2- en- 1- olate
Smiles: COc1ccc(c(c1)C1/C(=C(/C=C/c2ccccc2)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)OC

STK586038
Synonyms: 9- (4- fluorophenyl)- 1,7- dimethyl- 3- propyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)F

STK586039
Synonyms: 3- ethyl- 1- methyl- 8- (4- phenoxyphenyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: CCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1)Oc1ccccc1

STK586040
Synonyms: (E)- {2- [3- (benzyloxy)phenyl]- 4,5- dioxo- 1- (pyridinium- 4- ylmethyl)pyrrolidin- 3- ylidene}(2,3- dihydro- 1,4- benzodioxin- 6- yl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)Cc1cc[nH+]cc1)/c1ccc2c(c1)OCCO2

STK586042
Synonyms: 2- amino- 4- (furan- 2- yl)- 7,7- dimethyl- 1- (3- nitrophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccco1)C(=O)CC(C2)(C)C)c1cccc(c1)[N+](=O)[O-]

STK586043
Synonyms: N- (2,5- dimethoxyphenyl)- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1,2- oxazole- 5- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)C1ON=C(C1)c1ccc(c(c1)OC)OC)OC

STK586045
Synonyms: (3a'S,6a'R)- 5'- tert- butyl- 7- chloro- 3'- (4- hydroxybenzyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Oc1ccc(cc1)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl

STK586047
Synonyms: 4- bromo- N'- [(E)- (2- hydroxy- 6- methylquinolin- 3- yl)methylidene]benzohydrazide
Smiles: Brc1ccc(cc1)C(=O)N/N=C/c1cc2cc(C)ccc2nc1O

STK586049
Synonyms: ethyl[(2Z)- 2- {[(2E)- 3- (3- nitrophenyl)prop- 2- enoyl]imino}- 2,3- dihydro- 1,3- thiazol- 4- yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)/C=C/c2cccc(c2)[N+](=O)[O-])/[nH]1

STK586050
Synonyms: N- (2- methoxybenzyl)- 3- methyl- 1- (2- methylphenyl)- 1H- thieno[2,3- c]pyrazole- 5- carboxamide
Smiles: COc1ccccc1CNC(=O)c1cc2c(s1)n(nc2C)c1ccccc1C

STK586052
Synonyms: ethyl2- [3,9- dioxo- 1- (pyridin- 3- yl)- 3,9- dihydrochromeno[2,3- c]pyrrol- 2(1H)- yl]- 1,3- benzothiazole- 6- carboxylate
Smiles: CCOC(=O)c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccnc1)c(=O)c1c(o2)cccc1

STK586053
Synonyms: 10- methyl- 2- [(2- methylphenoxy)methyl]- 8- phenyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccccc1OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK586055
Synonyms: methyl({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetate
Smiles: COC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK586056
Synonyms: (5E)- 1- cyclopropyl- 5- ({[4- (morpholin- 4- ylmethyl)phenyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/Nc1ccc(cc1)CN1CCOCC1)C1CC1

STK586058
Synonyms: (2Z)- 7- (morpholin- 4- ium- 4- ylmethyl)- 3- oxo- 2- (thiophen- 2- ylmethylidene)- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCOCC1)O/C(=C\c1cccs1)/C2=O

STK586065
Synonyms: 2- chloro- 3- [(E)- (1,3- dihydro- 2H- benzimidazol- 2- ylidenehydrazinylidene)methyl]- 7- methylquinoline
Smiles: Cc1ccc2c(c1)nc(c(c2)/C=N/N=c/1\[nH]c2c([nH]1)cccc2)Cl

STK586067
Synonyms: 2,4- dichloro- N'- {4- [(5Z)- 5- (2- chlorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoyl}benzohydrazide
Smiles: O=C(NNC(=O)c1ccc(cc1Cl)Cl)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

STK586068
Synonyms: 12- methyl- 7- oxo- 5,6,15,16- tetrahydro- 4bH,7H- pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5- carboxylicacid
Smiles: OC(=O)C1Cc2c(N3C1c1ccccc1CC3)nc1n(c2=O)cccc1C

STK586069
Synonyms: 3- {4- [4- (3- chlorophenyl)piperazin- 1- yl]- 4- oxobutyl}quinazolin- 4(3H)- one
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)CCCn1cnc2c(c1=O)cccc2

STK586070
Synonyms: (5E)- 2- [4- (4- methylphenyl)piperazin- 1- yl]- 5- ({5- [3- (trifluoromethyl)phenyl]furan- 2- yl}methylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Cc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)C(F)(F)F)/S1

STK586072
Synonyms: N- (4- butylphenyl)- 2- [(4,5- diphenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1ccccc1

STK586073
Synonyms: 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 3- [(4- nitrobenzyl)sulfanyl]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridine- 6- carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCc3ccc(cc3)[N+](=O)[O-])nnc2c2c1CC(C)(C)OC2

STK586074
Synonyms: 2- ethyl- 10- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CCc1nn2c(n1)c1c(nc2)sc2c1CC(C)CC2

STK586075
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(2- methylpropyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]furan- 2- carboxamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccco1)/C(=O)NCC(C)C

STK586076
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,3- dimethylphenyl)acetamide
Smiles: Clc1cccc(c1)c1nnc(n1c1ccccc1)SCC(=O)Nc1cccc(c1C)C

STK586077
Synonyms: N- (3,4- dimethylphenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1c1ccccc1F

STK586078
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- ethyl- 6- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2CC)nnc1c1cccc(c1)C

STK586079
Synonyms: 9- [4- (dimethylamino)phenyl]- 2- (ethylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nc2n(n1)C(c1ccc(cc1)N(C)C)C1=C(O)CCCC1=N2

STK586080
Synonyms: 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- methylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(Cn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C)C

STK586082
Synonyms: N- (2- methoxyphenyl)- 1- (4- methoxyphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1OC)cc3c1ccc(cc1)C

STK586084
Synonyms: 3- (3- butoxypropyl)- 8- chloro- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCOCCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK586086
Synonyms: N- (3,4- dimethoxyphenyl)- 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)OC)OC)nnc1COc1ccc(cc1)C

STK586087
Synonyms: 3- (furan- 2- ylmethyl)- 2- (4- methylphenyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: Cc1ccc(cc1)c1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1

STK586089
Synonyms: (3R,3'S,3a'S,6a'R)- 5'- (3- chlorophenyl)- 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: CSCC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)Cl)C(=O)Nc1c2cccc1

STK586090
Synonyms: N- [(2Z)- 3- (2,3- dimethylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1cccc(c1C)C)CS(=O)(=O)C2

STK586091
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (5- chloro- 2- methylphenyl)- 7- 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: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(Cl)ccc1C

STK586095
Synonyms: (5E)- 5- [(1- benzyl- 1,2,3,4- tetrahydroquinolin- 6- yl)methylidene]- 1- [4- (propan- 2- yl)phenyl]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CC(c1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O)S)C

STK586096
Synonyms: (8S,8aR,11aS)- 10- (3,4- dimethylphenyl)- 8- (furan- 2- ylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(c(c1)C)C)c1ccco1

STK586097
Synonyms: 1'- (2,2- dimethoxyethyl)- 3- (2,4- dimethylphenyl)- 6- hydroxy- 6'- nitro- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: COC(CN1CC2(Cc3c1ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C2=O)c1ccc(cc1C)C)O)OC

STK586098
Synonyms: 7- (2- chlorobenzyl)- 1,3- dimethyl- 8- [(4- phenylpiperazin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccccc1Cn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK586099
Synonyms: 1- amino- N,8,8- trimethyl- N- phenyl- 5- (pyrrolidin- 1- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)N(c1ccccc1)C

STK586100
Synonyms: N- (2- ethyl- 6- methylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2CC)nnc1c1cccnc1

STK586101
Synonyms: 7- (2,6- dimethylphenyl)- 3- (4- fluorophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Fc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1c(C)cccc1C

STK586102
Synonyms: 7- hydroxy- 3- (2- methoxyphenyl)- 8- (pyrrolidin- 1- ylmethyl)- 4H- chromen- 4- one
Smiles: COc1ccccc1c1coc2c(c1=O)ccc(c2CN1CCCC1)O

STK586107
Synonyms: 1- (3- chlorophenyl)- 6- (furan- 2- ylmethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Clc1cccc(c1)n1c(S)nc(=O)c2c1NCN(C2)Cc1ccco1

STK586108
Synonyms: 13- (4- tert- butylphenyl)- 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(c2ccc(cc2)C(C)(C)C)C2=C1CC(CC2=O)(C)C

STK586110
Synonyms: 2- {[2- (methylsulfanyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- 1- (4- nitrophenyl)ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)[N+](=O)[O-])c2c(n1)sc1c2CCC1

STK586111
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- (6- methoxy- 1,3- benzothiazol- 2- yl)- 5- (4- methylphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)C

STK586112
Synonyms: 7'- ({(E)- [1- (butan- 2- yl)- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}amino)- 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)- tr
Smiles: CCC(N1C(=NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O)C

STK586113
Synonyms: 2- {[4- amino- 5- (1,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)CSc1nnc(n1N)c1n[nH]c2c1CCC2

STK586114
Synonyms: (5E)- 3- (4- chlorophenyl)- 6- hydroxy- 5- [1- (piperidin- 1- ylamino)ethylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C(\NN2CCCCC2)/C)/C1=O)O

STK586115
Synonyms: 8- [(4- ethylpiperazin- 1- yl)methyl]- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STK586116
Synonyms: (4E)- 1- butyl- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 5- (4- fluorophenyl)pyrrolidine- 2,3- dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)F

STK586117
Synonyms: 4- {(2E)- 2- [3- (naphthalen- 1- ylmethoxy)benzylidene]hydrazinyl}- 5- phenylthieno[2,3- d]pyrimidine
Smiles: c1ccc(cc1)c1csc2c1c(N/N=C/c1cccc(c1)OCc1cccc3c1cccc3)ncn2

STK586118
Synonyms: (6Z)- 6- [2- (2- nitrophenyl)hydrazinylidene]- 6- (pyridin- 2- yl)hexanoicacid
Smiles: OC(=O)CCCC/C(=N/Nc1ccccc1[N+](=O)[O-])/c1ccccn1

STK586119
Synonyms: 1- (3- {[3- (ethoxycarbonyl)- 4,5- dimethylthiophen- 2- yl]amino}quinoxalin- 2- yl)piperidine- 4- carboxylicacid
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCC(CC2)C(=O)O)sc(c1C)C

STK586122
Synonyms: 2- methoxy- N- [(2E)- 3- (3- methoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1Cc1cccc(c1)OC)CS(=O)(=O)C2

STK586123
Synonyms: N- (4- methylphenyl)- 2- [(2- 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]acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CCCC3

STK586124
Synonyms: 2- (6- chloro- 1,3- benzothiazol- 2- yl)- 1- [4- (propan- 2- yloxy)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CC(Oc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)Cl)C(=O)c2c1c(=O)c1c(o2)cccc1)C

STK586125
Synonyms: 5- [5- (4- methoxyphenyl)pyrazolidin- 3- ylidene]- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)C1NNC(=C2C(=O)N(C)C(=O)N(C2=O)C)C1

STK586126
Synonyms: (4E)- 5- hydroxy- 4- {[1- (4- hydroxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Oc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=NN(C1=O)c1ccccc1)O

STK586127
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl)CC

STK586128
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1

STK586131
Synonyms: N- [(2E)- 3- (2- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: COc1ccccc1N1/C(=N\C(=O)C2CCCCC2)/SC2C1CS(=O)(=O)C2

STK586132
Synonyms: (5E)- 3- butyl- 5- (1- {[3- (dimethylamino)propyl]amino}propylidene)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NCCCN(C)C)/CC)/C1=O)O

STK586135
Synonyms: (4E)- 5- (3- chlorophenyl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 1- {5- [(4- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: Clc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK586136
Synonyms: N,N- diethyl- 2- (9- methoxy- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)acetamide
Smiles: CCN(C(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)OC)CC

STK586138
Synonyms: 8- (furan- 2- ylmethyl)- 1,6,7- trimethyl- 3- (2- phenylethyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2c(c(n1Cc1ccco1)C)C

STK586139
Synonyms: N,N- dimethyl- N'- [4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- yl]propane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)C

STK586140
Synonyms: 5- chloro- 3'- (1- hydroxyethyl)- 5'- (2- methoxyethyl)- 7- 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)C2C(C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Cl)cc2C

STK586141
Synonyms: 9- (2,5- dimethoxyphenyl)- 2- (ethylsulfanyl)- 6,6- dimethyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1cc(OC)ccc1OC

STK586142
Synonyms: 8- [(3,5- dimethylpiperidin- 1- yl)methyl]- 1,3- dimethyl- 7- [(2E)- 3- phenylprop- 2- en- 1- yl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CC(C)CN(C1)Cc1nc2c(n1C/C=C/c1ccccc1)c(=O)n(c(=O)n2C)C

STK586143
Synonyms: 3- [methyl(5- phenylthieno[2,3- d]pyrimidin- 4- yl)amino]propanenitrile
Smiles: N#CCCN(c1ncnc2c1c(cs2)c1ccccc1)C

STK586145
Synonyms: 1- (2- methoxyphenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: COc1ccccc1C(=O)CSc1nnc(n1c1ccccc1)c1ccccn1

STK586146
Synonyms: (3a'S,6a'R)- 5'- benzyl- 5- chloro- 3'- (1H- indol- 3- ylmethyl)- 7- 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: Clc1cc(C)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)Cc1c[nH]c3c1cccc3)C(=O)N2

STK586147
Synonyms: (5E)- 3- [2- (3,4- dimethoxyphenyl)ethyl]- 6- hydroxy- 5- [(2- phenyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1cc(CCN2C(=O)N=C(/C(=C\c3c([nH]c4c3cccc4)c3ccccc3)/C2=O)O)ccc1OC

STK586148
Synonyms: 5- (2- bromophenyl)- 4- {[(E)- (3- ethoxy- 4- hydroxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cc(ccc1O)/C=N/n1c(=S)[nH]nc1c1ccccc1Br

STK586149
Synonyms: 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- [4- (4- methoxyphenyl)piperazin- 1- yl]ethanone
Smiles: COc1ccc(cc1)N1CCN(CC1)CC(=O)N1CCc2c(C1)cc(c(c2)OC)OC

STK586150
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- (2,5- dimethoxyphenyl)- 4,5- dihydro- 1,2- oxazole- 5- carboxamide
Smiles: COc1ccc(cc1C1=NOC(C1)C(=O)Nc1ccc2c(c1)OCCO2)OC

STK586152
Synonyms: 8- {[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- oxopropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(=O)Cn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK586153
Synonyms: 2- (furan- 2- yl)- 3- (2- methoxyethyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccco1

STK586154
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,4,6- trimethylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1c(C)cc(cc1C)C

STK586155
Synonyms: N- (3- chlorophenyl)- 2- [(12,12- dimethyl- 12,13- dihydro- 10H- pyrano[4',3':4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidin- 7- yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)C

STK586156
Synonyms: 8- {[benzyl(methyl)ammonio]methyl}- 3- (3- methoxyphenoxy)- 4- oxo- 4H- chromen- 7- olate
Smiles: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2C[NH+](Cc1ccccc1)C)[O-]

STK586157
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- methoxyphenyl)carbonyl]- 2'- {[2- (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=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK586158
Synonyms: 5,6,7- trimethoxy- N'- [(E)- (4- methoxyphenyl)methylidene]- 1H- indole- 2- carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)c(OC)c(c(c2)OC)OC

STK586159
Synonyms: 9- (4- fluorophenyl)- 1- methyl- 3- propyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)F

STK586161
Synonyms: 4- bromo- N'- [(E)- (6- chloro[1,3]dioxolo[4,5- g]quinolin- 7- yl)methylidene]benzohydrazide
Smiles: Brc1ccc(cc1)C(=O)N/N=C/c1cc2cc3OCOc3cc2nc1Cl

STK586163
Synonyms: 7- (3,5- dimethylphenyl)- 3- phenyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1cc(C)cc(c1)n1ncc2c1ncn1c2nnc1c1ccccc1

STK586164
Synonyms: 5,10,10- trimethyl- N- [2- (morpholin- 4- yl)ethyl]- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)NCCN1CCOCC1

STK586165
Synonyms: 7- (2- chlorobenzyl)- 8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccccc1N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK586166
Synonyms: 2- (4- fluorophenyl)- 8- methoxy- 3- (2- methoxyethyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC)c1ccc(cc1)F

STK586167
Synonyms: (5E)- 5- {1- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]ethylidene}- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C(\Nc2c(C)n(n(c2=O)c2ccccc2)C)/C)/C1=O)O

STK586168
Synonyms: [(2E)- 2- {(2E)- [4- (dimethylamino)benzylidene]hydrazinylidene}- 3- (4- hydroxyphenyl)- 4- oxo- 1,3- thiazolidin- 5- yl]aceticacid
Smiles: OC(=O)CC1S/C(=N/N=C/c2ccc(cc2)N(C)C)/N(C1=O)c1ccc(cc1)O

STK586170
Synonyms: (4Z)- 1- hexadecyl- 4- [(2E)- 1- hydroxy- 3- phenylprop- 2- en- 1- ylidene]- 5- phenylpyrrolidine- 2,3- dione
Smiles: CCCCCCCCCCCCCCCCN1C(c2ccccc2)/C(=C(\C=C\c2ccccc2)/O)/C(=O)C1=O

STK586171
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1c1ccccc1F

STK586173
Synonyms: (4Z)- 6- [(4- benzylpiperazin- 1- yl)methyl]- 4- (phenylimino)- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Nc1nc(CN2CCN(CC2)Cc2ccccc2)[nH]/c(=N/c2ccccc2)/n1

STK586174
Synonyms: N- [(2E)- 3- (1,3- benzodioxol- 5- ylmethyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=C\1/SC2C(N1Cc1ccc3c(c1)OCO3)CS(=O)(=O)C2

STK586175
Synonyms: methyl5- [({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)methyl]furan- 2- carboxylate
Smiles: COC(=O)c1ccc(o1)CSc1nnc2n1c(Nc1ccc(cc1)C)c(C#N)c1c2COC(C1)(C)C

STK586176
Synonyms: 5- {[(2Z)- 3- (3,5- dimethylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1cc(C)cc(c1)C)CS(=O)(=O)C2

STK586177
Synonyms: 3- methoxy- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)Cc1cccnc1

STK586178
Synonyms: methyl[1- (7- methyl- 3- {(Z)- [3- (2- methylpropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 4- oxo- 4H- pyrido[1,2- a]pyrimidin- 2- yl)- 3- oxopiperazin- 2- yl]acetate
Smiles: COC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC(C)C)C

STK586179
Synonyms: 7'- {(E)- [4- hydroxy- 2,6- dioxo- 1- (propan- 2- yl)- 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: OC1=NC(=O)N(C(=O)/C/1=C/c1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)C(C)C

STK586180
Synonyms: N- [2- (ethylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]propane- 1,3- diamine
Smiles: NCCCNc1nc(SCC)nc2c1c1CC(C)(C)OCc1s2

STK586181
Synonyms: 2- ({5- [(1S)- 1- amino- 2- (1H- indol- 3- yl)ethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N,N- dimethylacetamide
Smiles: O=C(N(C)C)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STK586182
Synonyms: 5- (3- chlorophenyl)- 4- {[(1E,2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/C=C/c1ccco1

STK586184
Synonyms: 4- (4- oxoquinazolin- 3(4H)- yl)- N- [4- (trifluoromethyl)phenyl]butanamide
Smiles: O=C(Nc1ccc(cc1)C(F)(F)F)CCCn1cnc2c(c1=O)cccc2

STK586185
Synonyms: 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 1- (furan- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1cc(C)c2c(c1)sc(n2)N1C(=O)c2c(C1c1ccco1)c(=O)c1c(o2)cccc1

STK586186
Synonyms: 1- ({[(3R)- 2,2- dimethyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindol- 3- yl]carbonyl}oxy)pyrrolidine- 2,5- dione
Smiles: O=C1CCC(=O)N1OC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1

STK586188
Synonyms: 10- (4- methoxyphenyl)- 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: COc1ccc(cc1)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK586189
Synonyms: 7- chloro- 6- methyl- 1- (4- methylphenyl)- 2- (pyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1ccc(cc1)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK586191
Synonyms: 10- (furan- 2- yl)- 1,3,7,7- tetramethyl- 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: Cn1c(=O)n(C)c(=O)c2c1c1C(OCC(n1c2c1ccccc1)(C)C)c1ccco1

STK586193
Synonyms: 11- chloro- 3- (pyridin- 2- ylmethyl)- 3,4,8,9- tetrahydro- 2H- cyclopenta[3,4]chromeno[8,7- e][1,3]oxazin- 6(7H)- one
Smiles: Clc1cc2c(c3c1OCN(C3)Cc1ccccn1)oc(=O)c1c2CCC1

STK586194
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- [4- (benzyloxy)- 3- methoxyphenyl]- 6- (3- chloro- 4- fluorophenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: COc1cc(ccc1OCc1ccccc1)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

STK586196
Synonyms: N- [3- (morpholin- 4- yl)propyl]- 2,3- dihydro- 1H- cyclopenta[b]quinoline- 9- carboxamide
Smiles: O=C(c1c2CCCc2nc2c1cccc2)NCCCN1CCOCC1

STK586197
Synonyms: 3,3- dimethyl- 11- (3- methylthiophen- 2- yl)- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: OC1=C2C(=Nc3c(NC2c2sccc2C)cccc3)CC(C1)(C)C