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

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STK555701
Synonyms: 2- (2- {[4- amino- 5- nitro- 6- (phenylamino)pyrimidin- 2- yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)Nc1ccccc1)[N+](=O)[O-]

STK555702
Synonyms: (2Z)- 2- {4- [3- (4- chloro- 3,5- dimethylphenoxy)propoxy]- 3- ethoxybenzylidene}[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: CCOc1cc(ccc1OCCCOc1cc(C)c(c(c1)C)Cl)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK555703
Synonyms: 4- [3- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- diethylaniline
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)N(CC)CC

STK555704
Synonyms: N~4~- (2- methoxyphenyl)- 5- nitro- N~2~- (prop- 2- en- 1- yl)pyrimidine- 2,4,6- triamine
Smiles: C=CCNc1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-]

STK555705
Synonyms: 3- (4- ethoxyphenyl)- 6- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)C

STK555706
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- [4- (propan- 2- yl)benzylidene]- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)C(C)C)/c2=O

STK555707
Synonyms: 3- (4- chlorophenyl)- 2- [(2,6- dichlorobenzyl)sulfanyl]- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1ccc(cc1)n1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK555709
Synonyms: (5Z)- 5- (2- ethoxybenzylidene)- 2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1ccccc1/C=C/1\SC(=NC1=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK555710
Synonyms: 8- (hexylamino)- 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C

STK555711
Synonyms: 4- (3- chlorophenyl)- 1- [(2,6- dichlorobenzyl)sulfanyl]- 7,7- dimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1cccc(c1)n1c2nnc(n2c2c(c1=O)c1CC(C)(C)OCc1s2)SCc1c(Cl)cccc1Cl

STK555712
Synonyms: 2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 3- [(Z)- (4- oxo- 3- pentyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C1=O

STK555713
Synonyms: 3- [6- (2,6- dimethylphenoxy)hexyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1c(C)cccc1C

STK555714
Synonyms: (6Z)- 6- {3- chloro- 4- [(4- chlorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555716
Synonyms: 3- (2,4- dimethylphenyl)- 2- [(E)- 2- (4- hydroxyphenyl)ethenyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Oc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1C)C)I

STK555717
Synonyms: 4- [3- (3- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- dimethylaniline
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)N(C)C

STK555718
Synonyms: 3- (4- ethoxyphenyl)- 6- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)COc1ccccc1

STK555719
Synonyms: N'- [(E)- (2- hydroxy- 5- nitrophenyl)methylidene]- 2- (3- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1ccc(n1)C)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK555721
Synonyms: N~2~,N~2~- diethyl- N~4~- (2- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCN(c1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-])CC

STK555722
Synonyms: (4- methoxyphenyl)[(4- methylphenyl)amino]acetonitrile
Smiles: N#CC(c1ccc(cc1)OC)Nc1ccc(cc1)C

STK555724
Synonyms: N- (2- chlorophenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK555725
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- 5- nitro- N- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 4,6- diamine
Smiles: CC1OC(C)CN(C1)c1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK555726
Synonyms: 7- (4- fluorobenzyl)- 1,3- dimethyl- 8- [(2E)- 2- (3- nitrobenzylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

STK555727
Synonyms: (5Z)- 1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 5- [(morpholin- 4- ylamino)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)/C(=C/NN2CCOCC2)/C(=O)N1CCC1=CCCCC1

STK555728
Synonyms: 3- (4- tert- butylphenyl)- 6- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1sc2n(n1)c(nn2)c1ccc(cc1)C(C)(C)C

STK555730
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- imino- 1- [2- (morpholin- 4- yl)ethyl]- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COc1cc(CCNC(=O)c2cc3c(n(c2=N)CCN2CCOCC2)nc2n(c3=O)cccc2)ccc1OC

STK555731
Synonyms: (6aS,6bR,9aS,10R)- 3- chloro- 8- (4- methoxyphenyl)- 5- methyl- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=C(C)c2c1ccc(c2)Cl)C(=O)c1ccccc1

STK555733
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK555734
Synonyms: (5Z)- 5- (2- butoxybenzylidene)- 2- (pyrrolidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: CCCCOc1ccccc1/C=C/1\SC(=NC1=O)N1CCCC1

STK555736
Synonyms: N- (4- ethoxyphenyl)- 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK555737
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- [(4- oxo- 3- phenyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK555739
Synonyms: (8S,8aR,11aS,11bS)- 10- (2- methoxy- 5- nitrophenyl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2)[N+](=O)[O-]

STK555740
Synonyms: N- (4- chlorophenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK555741
Synonyms: (6Z)- 6- [3- chloro- 5- methoxy- 4- (2- phenoxyethoxy)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccccc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555742
Synonyms: 2- [(Z)- (5- bromo- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- (2- chloro- 4- nitrophenyl)quinazolin- 4(3H)- one
Smiles: Brc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])/C(=O)N2

STK555743
Synonyms: 3- (2,4- dichlorophenyl)- 7- (4- methylphenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Cc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1Cl)Cl

STK555746
Synonyms: N- (3- methoxypropyl)- 2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK555747
Synonyms: 3- [(1- ethylpyrrolidin- 2- yl)methyl]- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCN1CCCC1Cn1cnc2c(c1=O)[nH]c1c2ccc(c1)OC

STK555749
Synonyms: 2- [4- (2,3,5- trimethylphenoxy)quinazolin- 2- yl]phenol
Smiles: Cc1cc(C)c(c(c1)Oc1nc(nc2c1cccc2)c1ccccc1O)C

STK555750
Synonyms: 2- oxo- 3- (quinolin- 2- yl)- 2H- chromen- 7- ylcyclohexanecarboxylate
Smiles: O=C(C1CCCCC1)Oc1ccc2c(c1)oc(=O)c(c2)c1ccc2c(n1)cccc2

STK555751
Synonyms: 6- (2- chlorophenyl)- 3- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1Cl

STK555752
Synonyms: 3- (2,5- dimethoxyphenyl)- 5- (naphthalen- 1- yl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(c(c1)C1C2C(ON1c1ccccc1)C(=O)N(C2=O)c1cccc2c1cccc2)OC

STK555753
Synonyms: 5- (3,4- dichlorophenyl)- 3- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(c(c1)Cl)Cl

STK555758
Synonyms: 3- (4- fluorophenyl)- 5- (naphthalen- 1- yl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)C1C2C(ON1c1ccccc1)C(=O)N(C2=O)c1cccc2c1cccc2

STK555759
Synonyms: 6- (2,5- dimethoxyphenyl)- 3- (3- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1cccc(c1)OC)OC

STK555760
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- ethoxyphenyl)methylidene]- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N

STK555761
Synonyms: 2- chloro- N- [6,6- dimethyl- 1- (4- methylphenyl)- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]benzamide
Smiles: Cc1ccc(cc1)N1C2=C(C(C1=O)(NC(=O)c1ccccc1Cl)C(F)(F)F)C(=O)CC(C2)(C)C

STK555762
Synonyms: 3- (4- ethoxyphenyl)- 6- phenyl[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1

STK555763
Synonyms: 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 1,3- dimethyl- 8- (4- phenylpiperazin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccccc1)COc1ccccc1C

STK555764
Synonyms: 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK555767
Synonyms: 2- (benzylsulfanyl)- N- (furan- 2- ylmethyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: c1ccc(cc1)CSc1nc(NCc2ccco2)c2c(n1)sc1c2CCC1

STK555768
Synonyms: N- (3- methoxyphenyl)- 2- {[5- (4- methoxyphenyl)- 8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3,4- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}propanamide
Smiles: COc1ccc(cc1)c1nc2CC(C)(C)OCc2c2n1c(nn2)SC(C(=O)Nc1cccc(c1)OC)C

STK555769
Synonyms: N'- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]- 2- (3- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)Cn1ccc(n1)C

STK555770
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl3,4,5- trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2

STK555771
Synonyms: 12- benzyl- 9- (benzylsulfanyl)- 6,6- diethyl- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCC1(CC)Cc2ccccc2c2c1c(=O)n1c(n2Cc2ccccc2)nnc1SCc1ccccc1

STK555772
Synonyms: (5Z)- 5- (2- ethoxybenzylidene)- 2- [4- (naphthalen- 1- yl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1ccccc1/C=C/1\SC(=NC1=O)N1CCN(CC1)c1cccc2c1cccc2

STK555773
Synonyms: N,N- diethyl- 2- [(3- ethyl- 6- iodo- 4- oxo- 3,4- dihydroquinazolin- 2- yl)sulfanyl]propanamide
Smiles: CCN(C(=O)C(Sc1nc2ccc(cc2c(=O)n1CC)I)C)CC

STK555774
Synonyms: N- (2- chlorophenyl)- 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555775
Synonyms: N- (3- chlorophenyl)- 2- {[4- (4- chlorophenyl)- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)Nc1cccc(c1)Cl

STK555776
Synonyms: 12- (4- methylbenzyl)- 9- [(4- methylbenzyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7(12H)- one
Smiles: Cc1ccc(cc1)CSc1nnc2n1c(=O)c1c(n2Cc2ccc(cc2)C)c2ccccc2CC21CCCC2

STK555778
Synonyms: 2- {[2- (methylsulfanyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CSc1nc(SCC(=O)Nc2nccs2)c2c(n1)sc1c2CCC1

STK555781
Synonyms: (6Z)- 6- {3- chloro- 5- methoxy- 4- [(2- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCc1ccccc1C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555782
Synonyms: ethyl4- ({[(5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 4- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)CSc1nc(C)cc(n1)C

STK555783
Synonyms: 2- (4- propoxyphenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK555784
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dimethylamino)methyl]- N'- [(E)- (2- methoxyphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)c1nnn(c1CN(C)C)c1nonc1N

STK555785
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [(2- methylbenzyl)oxy]benzylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555788
Synonyms: 6- (4- benzylpiperazin- 1- yl)- N~2~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCN(CC1)Cc1ccccc1)NCc1ccco1

STK555790
Synonyms: methyl5- methyl- 3- ({[1- (4- methylphenyl)cyclopropyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cc(cc2)C

STK555793
Synonyms: 2- [(5- amino- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc2n1c(N)nc1c2c2CCCCc2s1

STK555794
Synonyms: 6- (3- bromophenyl)- 3- (3- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1cccc(c1)C

STK555795
Synonyms: 3- (3- chlorophenyl)- 1- (4- nitrobenzyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1cccc(c1)n1c(=O)n(Cc2ccc(cc2)[N+](=O)[O-])c2c(c1=O)c1CCCCc1s2

STK555796
Synonyms: 2- [(6- bromo- 2- methylquinolin- 4- yl)sulfanyl]- N'- [(E)- (4- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK555798
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK555799
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (4- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK555800
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 6- (3- nitrophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]

STK555801
Synonyms: N- (4- acetylphenyl)- 2- {[3- (4- ethoxyphenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)C)nc2c(c1=O)c1CCN(Cc1s2)C

STK555802
Synonyms: N'- [(E)- {4- [(2- chloro- 6- fluorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1c(F)cccc1Cl

STK555803
Synonyms: 3- chloro- N- ({4- [(6- methoxypyrimidin- 4- yl)sulfamoyl]phenyl}carbamothioyl)- 1- benzothiophene- 2- carboxamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1sc2c(c1Cl)cccc2

STK555804
Synonyms: N- (2- methoxyethyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: COCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK555805
Synonyms: N- ({2- [(2- chlorophenyl)carbonyl]hydrazinyl}carbonothioyl)pyridine- 3- carboxamide
Smiles: S=C(NC(=O)c1cccnc1)NNC(=O)c1ccccc1Cl

STK555806
Synonyms: methyl4- [(Z)- 2- cyano- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}ethenyl]benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(cc1)CC(C)C

STK555807
Synonyms: 6- (4- ethylpiperazin- 1- yl)- 2- (4- methylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)C

STK555809
Synonyms: 2- [(3- methylphenoxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: Cc1cccc(c1)OCc1nc2n(n1)cnc1c2C2(CCCCC2)Cc2c1cccc2

STK555810
Synonyms: (6Z)- 5- imino- 6- (3- methoxy- 4- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1ccc(cc1OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK555811
Synonyms: 5- (3,4- dichlorophenyl)- 2- phenyl- 3- (pyridin- 3- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1ON(C2c1cccnc1)c1ccccc1

STK555814
Synonyms: 3- (3- ethoxyphenyl)- 6- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccc(c1)OCC

STK555815
Synonyms: 6- (2,6- dimethoxyphenyl)- 3- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1c(OC)cccc1OC

STK555816
Synonyms: 3- (2- phenylethyl)- 11- {[(E)- pyridin- 4- ylmethylidene]amino}- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1ccncc1

STK555820
Synonyms: 2- [(E)- 2- (1,3- benzodioxol- 5- yl)ethenyl]- 3- (2,4- dimethylphenyl)- 6- iodoquinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc3c(c2)OCO3)nc2c(c1=O)cc(cc2)I

STK555821
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK555822
Synonyms: 2- [(4- chlorophenoxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: Clc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK555823
Synonyms: 2- [(1H- benzimidazol- 2- ylmethyl)sulfanyl]- 3- (4- methylphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nc2c(c1=O)c1CCCCc1s2

STK555824
Synonyms: 2- chloro- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: Clc1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-]

STK555825
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (2- methoxyphenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1

STK555826
Synonyms: 5- (2,6- dichlorophenyl)- 3- (4- ethylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1

STK555827
Synonyms: 5- (2,4- dimethylphenyl)- 3- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)C1C2C(ON1c1ccccc1)C(=O)N(C2=O)c1ccc(cc1C)C

STK555828
Synonyms: (6aR,6bS,9aR,10S)- 10- (furan- 2- ylcarbonyl)- 8- (4- nitrophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccco1)cccc3

STK555829
Synonyms: 3- (2- methylpropyl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)CC(C)C

STK555830
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [2- (phenylsulfanyl)ethoxy]benzylidene}- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCSc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555831
Synonyms: (6Z)- 5- imino- 6- {4- [3- (3- methylphenoxy)propoxy]benzylidene}- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK555833
Synonyms: N- (4- chlorophenyl)- 3- (2- methoxyphenyl)- 3- [4- (propan- 2- yloxy)phenyl]propanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)Nc1ccc(cc1)Cl

STK555836
Synonyms: 3- [5- (2- ethylphenoxy)pentyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCc1ccccc1OCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK555837
Synonyms: 9- bromo- 5- (3- bromophenyl)- 2- (4- chlorophenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Br)c1ccc(cc1)Cl

STK555839
Synonyms: 5- amino- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine- 3- thiol
Smiles: Nc1nc2sc3c(c2c2n1c(S)nn2)CCCC3

STK555840
Synonyms: [4- (4- amino- 2- chlorophenyl)piperazin- 1- yl](4- chlorophenyl)methanone
Smiles: Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1Cl)N

STK555842
Synonyms: N- benzyl- 2- ethyl- 2- methyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCc1ccccc1

STK555843
Synonyms: 2- [(E)- 2- (4- chlorophenyl)ethenyl]- 3- (2,4- dimethylphenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1C)C

STK555845
Synonyms: 2- [3- (4- chlorophenyl)- 2,4- dioxo- 3,4,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 1(5H)- yl]- N- (2- phenylethyl)acetamide
Smiles: Clc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)NCCc1ccccc1

STK555846
Synonyms: (6Z)- 6- [(2,5- dimethyl- 1- phenyl- 1H- pyrrol- 3- yl)methylidene]- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3ccccc3)C)/C2=N)s1

STK832379
Synonyms:
Smiles: Clc1ccc(cc1)c1csc(n1)c1ccccn1CC(=O)c1ccccc1

STL038973
Synonyms: 1- {4,6- bis[(3- methylphenyl)amino]- 1,3,5- triazin- 2- yl}- 1H- 1,2,4- triazole- 5- thiol
Smiles: Cc1cccc(c1)Nc1nc(Nc2cccc(c2)C)nc(n1)n1ncnc1S

STK555847
Synonyms: 3- [(4- fluorobenzyl)sulfanyl]- 10,10- dimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)F)nn2)CC(OC3)(C)C

STK555850
Synonyms: N- (4- methoxyphenyl)- 4- oxo- 4- [(2E)- 2- (3,4,5- trimethoxybenzylidene)hydrazinyl]butanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1cc(OC)c(c(c1)OC)OC

STK555851
Synonyms: 2- imino- N- (2- methoxyethyl)- 10- methyl- 5- oxo- 1- (pyridin- 4- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COCCNC(=O)c1cc2c(n(c1=N)Cc1ccncc1)nc1n(c2=O)cccc1C

STK555853
Synonyms: 4- hydrazinyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- amine
Smiles: NNc1nc(N)nc2c1c1CC(C)(C)OCc1s2

STK555854
Synonyms: N- (4- methoxyphenyl)- 2- {[5- (methylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)OC)nn2)CCC3

STK555855
Synonyms: 3- (2- chlorophenyl)- 6- (4- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1Cl

STK555857
Synonyms: 2- {[2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK555860
Synonyms: 3- (2,4- dimethoxyphenyl)- 5- (3- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cc(OC)ccc1C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1

STK555861
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- (3- chlorophenyl)- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: Clc1cccc(c1)n1c(SCc2ccccc2Cl)nc2c(c1=O)cc1c(n2)CCCC1

STK555862
Synonyms: (2Z)- 2- cyano- N- (3- methylphenyl)- 2- {(5E)- 3- (4- methylphenyl)- 4- oxo- 5- [2- (propan- 2- yloxy)benzylidene]- 1,3- thiazolidin- 2- ylidene}ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2OC(C)C)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C

STK555864
Synonyms: 9- bromo- 5- (3- chlorophenyl)- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Cl)c1cccs1

STK555865
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 8,8- dimethyl- 3- phenyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: Clc1ccccc1CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK555866
Synonyms: N- hexadecyl- 4,7,7- trimethyl- 2,3- dioxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: CCCCCCCCCCCCCCCCNC(=O)C12CCC(C2(C)C)(C(=O)C1=O)C

STK555869
Synonyms: 5- benzyl- 2- phenyl- 3- (pyridin- 3- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2ON(C(C2C(=O)N1Cc1ccccc1)c1cccnc1)c1ccccc1

STK555870
Synonyms: N- benzyl- 2- {[3- (4- chlorophenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)NCc1ccccc1)c1ccc(cc1)Cl

STK555871
Synonyms: N'- [(1E)- 1- (2,4- dimethoxyphenyl)ethylidene]- 2- {[4- methyl- 5- (3- nitrophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(c(c1)OC)/C(=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])/C

STK555872
Synonyms: (2Z)- 2- cyano- 2- [(5E)- 5- (2,3- dimethoxybenzylidene)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- (4- methylphenyl)ethanamide
Smiles: COc1cccc(c1OC)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccccc1C

STK555874
Synonyms: (6aS,6bR,9aS,10R)- 8- (4- chlorophenyl)- 7,9- dioxo- 10- (phenylcarbonyl)- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinolin- 1- ylacetate
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1c(ccc2)OC(=O)C)C(=O)c1ccccc1

STK555875
Synonyms: 5- (benzylsulfanyl)- 3- [(3- methylbutyl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(CCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1)C

STK555876
Synonyms: (6E)- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 6- {[1- (2- phenoxyethyl)- 1H- indol- 3- yl]methylidene}- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3ccccc3)/C2=N)s1

STK555877
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (4- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK555879
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [3- (benzyloxy)phenyl]methylidene}- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCOCC1)c1nonc1N)N/N=C/c1cccc(c1)OCc1ccccc1

STK555880
Synonyms: 3- (4- tert- butylphenyl)- 6- (2- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccccc1c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C

STK555881
Synonyms: 6- ethyl- N- (furan- 2- ylmethyl)- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCSc1nc(NCc2ccco2)c2c(n1)sc1c2CC(OC1)(C)CC

STK555882
Synonyms: 3- (4- chloro- 2- oxo- 3- phenyl- 2,3- dihydro- 1,3- thiazol- 5- yl)- 5- (3- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1sc(=O)n(c1Cl)c1ccccc1

STK555884
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (2- fluorobenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: O=c1nc2s/c(=C\c3ccccc3F)/c(=O)n2nc1Cc1ccccc1Cl

STK555885
Synonyms: N- (4- chlorophenyl)- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK555887
Synonyms: 2,2- dimethyl- 5- (2- methylpropyl)- 8- (pentylsulfanyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK555889
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (butan- 2- yl)phenyl]acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1)C

STK555890
Synonyms: N~4~- (4- fluorophenyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1ccc(cc1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK555891
Synonyms: 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- [(E)- phenylmethylidene]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccccc1

STK555892
Synonyms: ethylN- ({[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)OC

STK555893
Synonyms: 6- cyclohexyl- 3- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)C1CCCCC1

STK555894
Synonyms: 3- (2,4- dimethoxyphenyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cc(OC)ccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK555895
Synonyms: 4- (butylsulfanyl)- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCSc1nc(SCCC)nc2c1c1CC(C)(C)OCc1s2

STK555897
Synonyms: N'- [(3Z)- 5- bromo- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]thiophene- 2- carbohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1cccs1)/C(=O)N2CN1CCCCC1c1cccnc1

STK555898
Synonyms: 2- bromo- N'- [(4E)- 6,6- dimethyl- 6,7- dihydro- 1- benzofuran- 4(5H)- ylidene]benzohydrazide
Smiles: O=C(c1ccccc1Br)N/N=C/1\CC(C)(C)Cc2c1cco2

STK555900
Synonyms: N~4~- cyclohexyl- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)Nc1ccccc1

STK555901
Synonyms: methyl{6- chloro- 4- methyl- 2- oxo- 7- [(1- oxo- 1- phenylpropan- 2- yl)oxy]- 2H- chromen- 3- yl}acetate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)OC(C(=O)c1ccccc1)C)Cl

STK555902
Synonyms: 3- (4- chlorophenyl)- 6- (2,6- dimethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1nn2c(s1)nnc2c1ccc(cc1)Cl)OC

STK555903
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [(3- methylbenzyl)oxy]benzylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555904
Synonyms: N- (2- methoxyethyl)- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: COCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK555905
Synonyms: 2- [(2- hydroxy- 2- phenylethyl)amino]- 3- [(Z)- (3- octyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCCCCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O

STK555908
Synonyms: 4- (4- bromophenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: Brc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1

STK555909
Synonyms: 3- (butylsulfanyl)- 10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCSc1nnc2n1c(SCCC)nc1c2c2CC(C)(CC)OCc2s1

STK555911
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- naphthalen- 1- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc2c1cccc2

STK555912
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 7'- methoxy- 2'- {[4- (2- methylpropyl)phenyl]carbonyl}- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)CC(C)C

STK555913
Synonyms: 4- [({[3- (4- chlorophenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3

STK555914
Synonyms: (3aR,6aS)- 5- (4- bromophenyl)- 3- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK555915
Synonyms: (8S,8aR,11aS,11bS)- 10- (2,4- dimethoxyphenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(c(c1)OC)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2

STK555916
Synonyms: 5- (3,4- dichlorophenyl)- 3- (2- methylpropyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1)C

STK555917
Synonyms: 10- ethyl- 10- methyl- 3,5- bis(propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nnc2n1c(SCCC)nc1c2c2CC(C)(CC)OCc2s1

STK555920
Synonyms: 2- [(E)- 2- (5- bromo- 2- hydroxyphenyl)ethenyl]- 3- (2,4- dimethylphenyl)quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cc(Br)ccc2O)nc2c(c1=O)cccc2

STK555921
Synonyms: 4- (2,6- dimethylmorpholin- 4- yl)- 7- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CC(C)OC(C1)C

STK555925
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1nccs1)nn2)CC(OC3)(C)CC

STK555928
Synonyms: N,N- diethyl- 4- [3- (3- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)OC)CC

STK555929
Synonyms: ethyl{[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetate
Smiles: CCCSc1nc(SCC(=O)OCC)c2c(n1)sc1c2CC(OC1)(C)C

STK555931
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- ethyl- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(SCc2ccccc2Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK555932
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc(c2)C)c2c(n1)sc1c2CC(OC1)(C)C

STK555933
Synonyms: (4aS,4bR,7aS,8R)- 8- (2,2- dimethylpropanoyl)- 6- (2- fluorophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)[C@H]1N([C@H]2C(=O)C(C)(C)C)N=CC=C1

STK555934
Synonyms: 2- ({[5- (4- tert- butylphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: COc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1ccc(cc1)C(C)(C)C

STK555935
Synonyms: 2- ethyl- 8- hydrazinyl- 2- methyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NN

STK555937
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- N- (3- fluorophenyl)- N- methyl- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CC(C)CN(C1)c1nc(N(c2cccc(c2)F)C)c(c(n1)N)[N+](=O)[O-]

STK555938
Synonyms: 6- ethyl- 6- methyl- 2- (propylsulfanyl)- 4- (pyrrolidin- 1- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c(n1)N1CCCC1)CC(OC3)(C)CC

STK555939
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555940
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- (3,4- dimethylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Cc1cc(ccc1C)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK555941
Synonyms: ethyl1- {3- [(3- methyl- 8,13- dioxo- 13,14- dihydro- 8H- naphtho[2,3- a]phenoxazin- 7- yl)amino]propyl}piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK555942
Synonyms: methyl2- [(8R,8aS,11aR)- 8- (2,2- dimethylpropanoyl)- 9,11- dioxo- 8a,9,11a,11b- tetrahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 10(11H)- yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK555943
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (2- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccccc1c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK555945
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (2- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccccc1c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK555946
Synonyms: ethyl4- {5- [(Z)- {5- imino- 7- oxo- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene}methyl]furan- 2- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555947
Synonyms: 3,5- dimethoxy- N- [1- (2- methylpropyl)- 1H- pyrazolo[3,4- b]quinolin- 3- yl]benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)Nc1nn(c2c1cc1ccccc1n2)CC(C)C

STK555948
Synonyms: 5- (3- hydroxybenzyl)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Oc1cccc(c1)CC1C(=O)N(C)C(=O)N(C1=O)C

STK555949
Synonyms: (8S,8aR,11aS,11bS)- 10- (2,4- dichlorophenyl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C

STK555950
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (2,4- dichlorophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl

STK555951
Synonyms: 2- [(E)- {2- [4- (3- chloro- 4- methylphenyl)piperazin- 1- yl]- 4- oxo- 1,3- thiazol- 5(4H)- ylidene}methyl]phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C/c1ccccc1OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccc(c(c1)Cl)C

STK555952
Synonyms: (2Z)- N- (2- chlorophenyl)- 2- cyano- 2- [(5E)- 5- (2,5- dimethoxybenzylidene)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: COc1ccc(c(c1)/C=c\1/s/c(=C(\C(=O)Nc2ccccc2Cl)/C#N)/n(c1=O)c1ccccc1C)OC

STK555954
Synonyms: (4aR,4bS,7aR,8S)- 6- (4- acetylphenyl)- 5,7- dioxo- N- phenyl- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)Nc1ccccc1

STK555955
Synonyms: N'- [(E)- (5- methylfuran- 2- yl)methylidene]- 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(o1)C

STK555956
Synonyms: (6Z)- 6- [4- (benzyloxy)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCc1ccccc1)c1cccnc1

STK555957
Synonyms: 6- tert- butyl- 3- (2- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccccc1c1nnc2n1N=C(CS2)C(C)(C)C

STK555958
Synonyms: 10- ethyl- 3- (hexylsulfanyl)- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCCCSc1nnc2n1c(SCCC)nc1c2c2CC(C)(CC)OCc2s1

STK555960
Synonyms: 5- [3- (6- hydroxy- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)- 1,3- dihydro- 2- benzofuran- 1- yl]- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)C1OC(c2c1cccc2)c1c(O)n(C)c(=O)n(c1=O)C

STK555961
Synonyms: 5- (4- nitrophenyl)- 2- phenyl- 3- (pyridin- 3- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1ON(C2c1cccnc1)c1ccccc1

STK555965
Synonyms: (6aS,6bR,9aS,10R)- 10- [(4- chlorophenyl)carbonyl]- 8- (2- phenylethyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1c1ccccc1C=C2)CCc1ccccc1

STK555966
Synonyms: butyl4- [(6aR,6bS,9aR,10S)- 10- (furan- 2- ylcarbonyl)- 7,9- dioxo- 6b,7,9a,10- tetrahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinolin- 8(9H)- yl]benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK555967
Synonyms: 2- {[6- iodo- 3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I)CCC

STK555970
Synonyms: 3- (2,5- dimethoxyphenyl)- 5- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)C)OC

STK555971
Synonyms: 7- (4- chlorobenzyl)- 8- [(4- fluorobenzyl)sulfanyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK555972
Synonyms: (5E)- 5- [(azepan- 1- ylamino)methylidene]- 1- hexylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCCCCCN1C(=O)NC(=O)/C(=C\NN2CCCCCC2)/C1=O

STK555973
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (5- chloro- 2- hydroxyphenyl)methylidene]- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(Cl)ccc1O

STK555974
Synonyms: N- (4- acetylphenyl)- 2- [3- (4- chlorophenyl)- 2,4- dioxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 1(2H)- yl]acetamide
Smiles: Clc1ccc(cc1)n1c(=O)n(CC(=O)Nc2ccc(cc2)C(=O)C)c2c(c1=O)c1CCCCc1s2

STK555976
Synonyms: N- (4- chlorophenyl)- 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555977
Synonyms: 1,3- dimethyl- 8- (morpholin- 4- yl)- 7- [2- (3- nitrophenyl)- 2- oxoethyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1

STK555978
Synonyms: 6- (3- ethoxyphenyl)- 3- (pyridin- 4- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1ccncc1

STK555979
Synonyms: N- [4- (diethylamino)phenyl]- 2- {[3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC)CC

STK555981
Synonyms: 6,6- diethyl- 9- sulfanyl- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCC1(CC)Cc2ccccc2c2c1c(=O)n1c([nH]2)nnc1S

STK555982
Synonyms: 3- (2- hydroxy- 3- methoxyphenyl)- 5- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cccc(c1O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)C

STK555983
Synonyms: N- (4- ethoxyphenyl)- 2- {[6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc(SC)nc2c1c1CC(C)(CC)OCc1s2

STK555985
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- ethyl- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)cc1c(n2)CCCC1

STK555987
Synonyms: N- (2- methoxyethyl)- 2,2- dimethyl- 10- (methylsulfanyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: COCCNc1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK555988
Synonyms: (6aS,6bR,9aS,10R)- 8- (2- chlorophenyl)- N- (2,5- dimethoxyphenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1Cl)C=Cc1c2cccc1)OC

STK555989
Synonyms: 2- (2- propoxyphenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCCOc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK555990
Synonyms: (6E)- 6- {[1- (3- chloro- 4- methoxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccc(cc1Cl)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555991
Synonyms: 3- (3- methoxyphenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK555992
Synonyms: 4- [3- (3- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK555993
Synonyms: ethyl2- ({[(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]carbamothioyl}amino)- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc2c1CCC(C2)C

STK555994
Synonyms: N'- [(E)- 1,3- benzodioxol- 5- ylmethylidene]- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc2c(c1)OCO2

STK555995
Synonyms: (6Z)- 2- (benzylsulfanyl)- 6- {[1- (4- chlorobenzyl)- 1H- indol- 3- yl]methylidene}- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1

STK555996
Synonyms: (6Z)- 5- imino- 6- {4- [2- (4- methoxyphenoxy)ethoxy]benzylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccc(cc1)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555997
Synonyms: methyl2- [(8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 9,11- dioxo- 8a,9,11a,11b- tetrahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazin- 10(11H)- yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2

STK555998
Synonyms: 8- {(2E)- 2- [4- (benzyloxy)benzylidene]hydrazinyl}- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)OCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK556000
Synonyms: 3- [6- (2,5- dimethylphenoxy)hexyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1cc(C)ccc1C

STK556004
Synonyms: 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK556006
Synonyms: (6Z)- 6- {4- [2- (2,6- dimethylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1c(C)cccc1C)c1cccnc1

STK556008
Synonyms: ethylN- ({[5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK556010
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [3- methoxy- 4- (propan- 2- yloxy)phenyl]methylidene}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(cc2)Br)ccc1OC(C)C

STK556011
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK556012
Synonyms: (6E)- 6- {[1- (3,4- dichlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)Cl)C)/C2=N)s1

STK556013
Synonyms: ethyl2- [(ethylcarbamothioyl)amino]- 5,6,7,8- tetrahydroquinoline- 3- carboxylate
Smiles: CCNC(=S)Nc1nc2CCCCc2cc1C(=O)OCC

STK556014
Synonyms: N'- [(E)- (5- bromo- 2- methoxyphenyl)methylidene]- 2- {[4- methyl- 5- (3- nitrophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])Br

STK556015
Synonyms: 4- [(2'R,3'R)- 3'- (2,2- dimethylpropanoyl)- 2,2- dimethyl- 4,6- dioxo- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazin]- 2'- yl]- 2- methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)[C@H]1[C@@H](N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2)C(=O)C(C)(C)C

STK556016
Synonyms: 4- [(4- chlorobenzyl)sulfanyl]- 6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK556017
Synonyms: 2- (8,8- dimethyl- 4- oxo- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 3(4H)- yl)- N- phenylacetamide
Smiles: O=C(Cn1cnc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C)Nc1ccccc1

STK556018
Synonyms: (6Z)- 5- imino- 6- [(5- phenylfuran- 2- yl)methylidene]- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccccc1)c1cccnc1

STK556019
Synonyms: 5- (3,4- dichlorophenyl)- 3- (4- ethylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1

STK556021
Synonyms: 2- [3- (3- chlorophenyl)- 2,4- dioxo- 3,4,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 1(5H)- yl]- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCC3

STK556022
Synonyms: 4- [4- (butan- 2- yl)phenoxy]- 2- (pyridin- 2- yl)quinazoline
Smiles: CCC(c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1)C

STK556023
Synonyms: 2- chloro- N- [1- (furan- 2- ylmethyl)- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]benzamide
Smiles: O=C1CC(C)(C)CC2=C1C(NC(=O)c1ccccc1Cl)(C(=O)N2Cc1ccco1)C(F)(F)F

STK556026
Synonyms: 3- methyl- 5- [(4- methylphenyl)sulfonyl]- 5,10- dihydroindolo[3,2- b]indole
Smiles: Cc1ccc(cc1)S(=O)(=O)n1c2ccccc2c2c1c1cc(C)ccc1[nH]2

STK556027
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- 1- phenylethanone
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccccc1)nn2)CC(OC3)(C)CC

STK556028
Synonyms: (8S,8aR,11aS,11bS)- 10- (3- chlorophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2

STK556029
Synonyms: 2- fluoro- N- (6- methyl- 1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)benzamide
Smiles: CCCn1nc(c2c1nc1ccc(cc1c2)C)NC(=O)c1ccccc1F

STK556033
Synonyms: 2- butyl- 3- (2- chloro- 4- nitrophenyl)quinazolin- 4(3H)- one
Smiles: CCCCc1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-]

STK556034
Synonyms: 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK556035
Synonyms: 2- (4- methoxyphenyl)- 3- [5- (2- methylphenoxy)pentyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccccc1C

STK556036
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556038
Synonyms: (4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 6- (naphthalen- 2- yl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK556039
Synonyms: (6Z)- 6- {4- [3- (4- chloro- 3- methylphenoxy)propoxy]- 3- methoxybenzylidene}- 5- imino- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCCOc1ccc(c(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK556041
Synonyms: (6Z)- 5- imino- 6- (naphthalen- 1- ylmethylidene)- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3cccc4c3cccc4)/C2=N)s1

STK556042
Synonyms: (6aS,6bR,9aS,10R)- N- (2,5- dimethoxyphenyl)- 8- (2- fluorophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1F)C=Cc1c2cccc1)OC

STK556044
Synonyms: 2- [(E)- 2- (4- bromophenyl)ethenyl]- 3- (2,4- dimethylphenyl)quinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1C)C

STK556046
Synonyms: 2- [(3- ethyl- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)N)nc2c(c1=O)c1CCN(Cc1s2)C

STK556047
Synonyms: methyl6- methoxy- 3- ({[4- (pyridin- 2- yl)piperazin- 1- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccn1)ccc(c2)OC

STK556048
Synonyms: 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccccn1

STK556050
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc3c2cccc3)c2c(n1)sc1c2CC(OC1)(C)CC

STK556051
Synonyms: ethyl3- {[(2,6- difluorophenyl)carbonyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1c(F)cccc1F)cc(cc2)OC

STK556052
Synonyms: 3- [6- (2,4- dimethylphenoxy)hexyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(cc1C)C

STK556053
Synonyms: 3- [6- (3,4- dimethylphenoxy)hexyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(c(c1)C)C

STK556056
Synonyms: 4- {[(8R,8aR,11aS,11bS)- 10- (4- bromophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)cccc3

STK556058
Synonyms: 3- (2- methylpropyl)- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CC(Cn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C

STK556059
Synonyms: (6E)- 6- {[5- (4- bromophenyl)furan- 2- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK556061
Synonyms: (2Z)- 3- [(2,5- dimethoxy- 4- methylphenyl)amino]- 2- [4- (3- oxo- 3H- benzo[f]chromen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)c(cc1OC)C)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK556062
Synonyms: (6E)- 6- ({2,5- dimethyl- 1- [4- (propan- 2- yl)phenyl]- 1H- pyrrol- 3- yl}methylidene)- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)C(C)C)C)/C2=N)s1

STK556063
Synonyms: 2- [3- (3- methylbutoxy)phenyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CC(CCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2)C

STK556064
Synonyms: 3- [(4- bromophenyl)sulfonyl]- 2- imino- 1- [2- (4- methoxyphenyl)ethyl]- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: COc1ccc(cc1)CCn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(cc1)Br

STK556065
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(2E)- 2- (4- methylbenzylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK556066
Synonyms: N- (4- bromophenyl)- 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Br)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK556067
Synonyms: (2E)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(5- methoxy- 2- methyl- 4- nitrophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc2c(c1)OCO2

STK556068
Synonyms: (6Z)- 5- imino- 6- (4- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK556069
Synonyms: 7- methoxy- 3- ({(E)- [4- (propan- 2- yl)phenyl]methylidene}amino)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)C(C)C

STK556072
Synonyms: (8S,8aR,11aS,11bS)- 10- benzyl- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C1N(Cc2ccccc2)C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK556073
Synonyms: (5Z)- 5- [(3- {3- [(4- fluorobenzyl)oxy]phenyl}- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 2- (morpholin- 4- yl)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1ccc(cc1)COc1cccc(c1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCOCC1)c1ccccc1

STK556074
Synonyms: (2Z)- 2- [5- (4- chlorobenzyl)- 3- (3- methoxyphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- 2- cyanoethanamide
Smiles: COc1cccc(c1)N1C(=O)C(S/C/1=C(\C(=O)N)/C#N)Cc1ccc(cc1)Cl

STK556075
Synonyms: 12- (2- phenylethyl)- 9- [(2- phenylethyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7(12H)- one
Smiles: O=c1n2c(SCCc3ccccc3)nnc2n(c2c1C1(CCCC1)Cc1c2cccc1)CCc1ccccc1

STK556077
Synonyms: (6Z)- 5- imino- 6- {[5- (4- nitrophenyl)furan- 2- yl]methylidene}- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)[N+](=O)[O-])/C2=N)s1

STK556079
Synonyms: 2- [3- (propan- 2- yloxy)phenyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CC(Oc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2)C

STK556080
Synonyms: 6- (4- benzylpiperazin- 1- yl)- N~2~- cyclohexyl- 5- nitropyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCN(CC1)Cc1ccccc1)NC1CCCCC1

STK556081
Synonyms: ethyl3- {[(2,2- diphenylcyclopropyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1CC1(c1ccccc1)c1ccccc1)cccc2

STK556082
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- 1H- indol- 3- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1c[nH]c2c1cccc2

STK556083
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3- bromo- 4- hydroxy- 5- methoxyphenyl)methylidene]- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(c1O)Br

STK556084
Synonyms: 2- {[4- (3- methoxyphenyl)- 5- oxo- 5,7- dihydro- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 1- yl]sulfanyl}- N- phenylacetamide
Smiles: COc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)Nc1ccccc1

STK556085
Synonyms: 4- [(4- fluorobenzyl)sulfanyl]- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2)F)c2c(n1)sc1c2CC(OC1)(C)C

STK556086
Synonyms: 2- ({6- amino- 2- [(furan- 2- ylmethyl)amino]- 5- nitropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N

STK556087
Synonyms: 6- (4- benzylpiperazin- 1- yl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CC1CCN(CC1)c1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK556088
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (4- methylphenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C

STK556090
Synonyms: 5- (benzylsulfanyl)- 3- [(2,2- diethoxyethyl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCOC(CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1)OCC

STL263542
Synonyms: N- (4- bromophenyl)- 2- {[4- ethyl- 5- (4- fluorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Br)nnc1c1ccc(cc1)F

STK556092
Synonyms: 4- (4- chlorophenyl)- 1- (hexylsulfanyl)- 7- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C

STK556093
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[3- (3- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556094
Synonyms: 3- (2- methoxyphenyl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1OC

STK556096
Synonyms: 12- pentyl- 9- (pentylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7(12H)- one
Smiles: CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)c2ccccc2CC21CCCC2

STK556097
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- (3- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556098
Synonyms: 1- (benzylsulfanyl)- 4- (4- chlorophenyl)- 7- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCc3ccccc3)nnc2n(c1=O)c1ccc(cc1)Cl

STK556100
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- phenylacetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccccc1)nn2)CC(OC3)(C)CC

STK556101
Synonyms: (4aS,4bR,7aS,8R)- 6- (2,4- dichlorophenyl)- 8- (2,2- dimethylpropanoyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C

STK556102
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (3- chloro- 4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK556103
Synonyms: 3- (3- chlorophenyl)- 5- (3,4- dichlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1

STK556104
Synonyms: 2,3- dimethoxy- 6- [5- (3- methylphenyl)- 4,6- dioxo- 2- phenylhexahydro- 2H- pyrrolo[3,4- d][1,2]oxazol- 3- yl]benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1

STK556106
Synonyms: (6Z)- 5- imino- 6- [3- methoxy- 4- (2- phenoxyethoxy)benzylidene]- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556107
Synonyms: 6- iodo- 2- [(3- methylbutyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)quinazolin- 4(3H)- one
Smiles: CC(=C)Cn1c(SCCC(C)C)nc2c(c1=O)cc(cc2)I

STK556108
Synonyms: (6Z)- 3- (benzylsulfanyl)- 6- {[1- (2,6- dichlorobenzyl)- 1H- indol- 3- yl]methylidene}- 5- imino- 5,6- dihydro- 7H- [1,2,4]thiadiazolo[4,5- a]pyrimidin- 7- one
Smiles: O=C1N=c2snc(n2C(=N)/C/1=C/c1cn(c2c1cccc2)Cc1c(Cl)cccc1Cl)SCc1ccccc1

STK556109
Synonyms: N- (3- chlorophenyl)- 2- (4- methylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CN1CCN(CC1)c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK556110
Synonyms: 3- [4- (3,4- dimethylphenoxy)butyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(c(c1)C)C

STK556111
Synonyms: 2- (4- ethylpiperazin- 1- yl)- N- (3- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]

STK556112
Synonyms: 2- [4- (3- ethylphenoxy)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: CCc1cccc(c1)Oc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK556113
Synonyms: (6Z)- 6- {4- [2- (2- chlorophenoxy)ethoxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3ccccc3Cl)/C2=N)s1

STK556114
Synonyms: 2- {[2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK556115
Synonyms: (5Z)- 5- {[5- (2,4- dichlorophenyl)furan- 2- yl]methylidene}- 2- (4- methylpiperazin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: CN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Cl)Cl)/S1

STK556116
Synonyms: N~2~- (butan- 2- yl)- N~4~- (3,4- dimethylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-])C

STK556119
Synonyms: 2- {[4- (4- chlorophenyl)- 7- methyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)Nc3ccccc3C)nnc2n(c1=O)c1ccc(cc1)Cl

STK556120
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccc1F

STK556122
Synonyms: (5Z)- 5- {[5- (3- nitrophenyl)furan- 2- yl]methylidene}- 2- [4- (2- nitrophenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK556124
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)c1CCCCc1s2

STK556125
Synonyms: 3- [2- (dipropan- 2- ylamino)ethyl]- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCN(C(C)C)C(C)C

STK556127
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(2E)- 2- (3- nitrobenzylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

STK556128
Synonyms: 3- butyl- 11- (3,4- dimethylphenyl)- 2- ethyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)C)C

STK556129
Synonyms: (6Z)- 6- {3- chloro- 5- methoxy- 4- [(3- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCc1cccc(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556130
Synonyms: (6E)- 6- {[2,5- dimethyl- 1- (3- methylphenyl)- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK556132
Synonyms: 3- (4- chloro- 2- oxo- 3- phenyl- 2,3- dihydro- 1,3- thiazol- 5- yl)- 5- (3,4- dichlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1C(N(O2)c1ccccc1)c1sc(=O)n(c1Cl)c1ccccc1

STK556133
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- N'- [(E)- (2,4,6- trimethylphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Cc1cc(C)c(c(c1)C)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N

STK556135
Synonyms: (5Z)- 5- [(3- {3- [(4- fluorobenzyl)oxy]phenyl}- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 3- (propan- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Fc1ccc(cc1)COc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)c1ccccc1

STK556136
Synonyms: N- benzyl- 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)NCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK556138
Synonyms: 2- methylpropyl4- ({2- methoxy- 5- [(E)- (2- {[(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzyl}oxy)benzoate
Smiles: COc1ccc(cc1COc1ccc(cc1)C(=O)OCC(C)C)/C=N/NC(=O)CSc1nncn1C

STK556139
Synonyms: 2- (4- methoxyphenyl)- 3- {3- [2- (propan- 2- yloxy)phenoxy]propyl}quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccccc1OC(C)C

STK556141
Synonyms: 2- [4- (4- chlorophenyl)- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl]- N- [3- (4- fluorophenyl)- 3- (furan- 2- yl)propyl]acetamide
Smiles: O=C(CC1(CCOC(C1)(C)C)c1ccc(cc1)Cl)NCCC(c1ccco1)c1ccc(cc1)F

STK556142
Synonyms: (3aR,6aS)- 5- (4- acetylphenyl)- 3- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK556143
Synonyms: N'- {(E)- [3- methoxy- 4- (propan- 2- yloxy)phenyl]methylidene}- 2- {[4- methyl- 5- (3- nitrophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2cccc(c2)[N+](=O)[O-])ccc1OC(C)C

STK556144
Synonyms: (6Z)- 6- {3- chloro- 4- [(2- methylbenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)Cl)OCc3ccccc3C)/C2=N)s1

STK556145
Synonyms: 3- (3,4- dimethoxyphenyl)- 5- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(cc1OC)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1

STK556146
Synonyms: 1,3- dimethyl- 8- [(3- methylphenyl)amino]- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(Nc2cccc(c2)C)nc2c1c(=O)n(c(=O)n2C)C

STK556147
Synonyms: N- [1- (4- methylphenyl)- 2,5- dioxo- 4- (trifluoromethyl)imidazolidin- 4- yl]benzamide
Smiles: Cc1ccc(cc1)N1C(=O)NC(C1=O)(NC(=O)c1ccccc1)C(F)(F)F

STK556148
Synonyms: (6aR,6bS,9aR,10S)- 10- (furan- 2- ylcarbonyl)- 8- (2- methoxy- 5- nitrophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1)[N+](=O)[O-]

STK556149
Synonyms: 6,6- dimethyl- 2- [(4- nitrobenzyl)sulfanyl]- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK556151
Synonyms: 3- (2- phenylethyl)- 11- {[(E)- thiophen- 2- ylmethylidene]amino}- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1cccs1

STK556154
Synonyms: 6- ethyl- N- (2- methoxyethyl)- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: COCCNc1nc(SC)nc2c1c1CC(C)(CC)OCc1s2

STK556155
Synonyms: 2- [(4- nitrobenzyl)sulfanyl]- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4- amine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nc(N)c2c(n1)nc1c(c2)CCCC1

STK556156
Synonyms: 3,6- bis(4- tert- butylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C)(C)C

STK556158
Synonyms: 2- [(2- hydroxy- 2- phenylethyl)amino]- 9- methyl- 3- [(Z)- (4- oxo- 3- propyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)/C1=O

STK556159
Synonyms: N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]acetamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)C)Cc1ccco1)nc1n(c2=O)cccc1C

STK556161
Synonyms: 4- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}- 2- methoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1OC(=O)C

STK556162
Synonyms: 5- (4- butoxyphenyl)- 2- phenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1

STK556163
Synonyms: 12- (2- methylpropyl)- 9- [(2- methylpropyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: CC(Cn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCC(C)C)CCCCC3)C

STK556165
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- naphthalen- 1- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc2c1cccc2

STK556166
Synonyms: 6- (4- bromophenyl)- 3- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Brc1ccc(cc1)c1nn2c(s1)nnc2COc1ccccc1

STK556167
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2cccnc2)nc2c1c(=O)n(c(=O)n2C)C

STK556168
Synonyms: 6- bromo- 4,5,5- trimethyl- N- (2,2,6,6- tetramethylpiperidin- 4- yl)bicyclo[2.1.1]hexane- 1- carboxamide
Smiles: O=C(C12CCC(C1Br)(C2(C)C)C)NC1CC(C)(C)NC(C1)(C)C

STK556169
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 6- (naphthalen- 2- yl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK556171
Synonyms: 3- (4- ethoxyphenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK556172
Synonyms: N- (4- chlorophenyl)- 2- {[4- (3- chlorophenyl)- 7,7- dimethyl- 5- oxo- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(C)C

STK556173
Synonyms: 6- (4- ethylpiperazin- 1- yl)- N~2~- (3- methylbutyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(NCCC(C)C)nc(c1[N+](=O)[O-])N

STK556174
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperazin- 1- yl)methyl]- N'- [(1E)- 2- phenylpropylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CN1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/C(c1ccccc1)C

STK556177
Synonyms: N'- [(E)- 1,3- benzodioxol- 5- ylmethylidene]- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccc2c(c1)OCO2

STK556179
Synonyms: N'- [(E)- (1- cyclopropyl- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)NN/C=C/1\C(=O)NC(=S)N(C1=O)C1CC1

STK556180
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (5- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK556181
Synonyms: N- (2- chlorophenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK556182
Synonyms: N- ({2- [(4- methoxyphenyl)acetyl]hydrazinyl}carbonothioyl)pyridine- 3- carboxamide
Smiles: COc1ccc(cc1)CC(=O)NNC(=S)NC(=O)c1cccnc1

STK556183
Synonyms: (2E)- N- ({2- [(5- methyl- 3- phenyl- 1,2- oxazol- 4- yl)carbonyl]hydrazinyl}carbonothioyl)- 3- (thiophen- 2- yl)prop- 2- enamide
Smiles: S=C(NC(=O)/C=C/c1cccs1)NNC(=O)c1c(C)onc1c1ccccc1

STK556185
Synonyms: N'- [(E)- {3- bromo- 4- [(2- chlorobenzyl)oxy]- 5- methoxyphenyl}methylidene]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nncn2C)cc(c1OCc1ccccc1Cl)Br

STK556186
Synonyms: 6- tert- butyl- 3- (4- tert- butylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CC(c1ccc(cc1)c1nnc2n1N=C(CS2)C(C)(C)C)(C)C

STK556187
Synonyms: ethyl5,6- dimethoxy- 3- {[(4- methyl- 1,2,5- oxadiazol- 3- yl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)cc(c(c2)OC)OC

STK556189
Synonyms: [6- bromo- 4- (dibromomethyl)- 5,5- dimethylbicyclo[2.1.1]hex- 1- yl][4- (4- methoxyphenyl)piperazin- 1- yl]methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)C12CCC(C1Br)(C2(C)C)C(Br)Br

STK556190
Synonyms: 3- (3- methoxyphenyl)- 5- (naphthalen- 2- yl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cccc(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc2c(c1)cccc2

STK556191
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (2,4- dimethoxyphenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: COc1cc(OC)ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1

STK556195
Synonyms: 6- (4- methylpiperazin- 1- yl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: CN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK556196
Synonyms: (5Z)- 2- (4- butoxyphenyl)- 5- {[5- (3- nitrophenyl)furan- 2- yl]methylidene}[1,3]thiazolo[3,2- b][1,2,4]triazol- 6(5H)- one
Smiles: CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/c2=O

STK556198
Synonyms: 3- (3- chlorophenyl)- 6- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK556200
Synonyms: 2- {[2- (benzylsulfanyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl]amino}propan- 1- ol
Smiles: OCC(Nc1nc(SCc2ccccc2)nc2c1c1CCCc1s2)C

STK556201
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556202
Synonyms: 11- (ethylsulfanyl)- 1- [(2- methylpropyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[4,3- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCSc1nc2c3ccccc3CC3(c2c2n1c(SCC(C)C)nn2)CCCC3

STK556203
Synonyms: 1- amino- N- (4- ethoxyphenyl)- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK556205
Synonyms: 8- [(2E)- 2- benzylidenehydrazinyl]- 7- (4- chlorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK556207
Synonyms: 2,6- bis(4- ethylphenyl)- 4,4- dimethyl- 3,5- dinitropiperidine
Smiles: CCc1ccc(cc1)C1NC(c2ccc(cc2)CC)C(C(C1[N+](=O)[O-])(C)C)[N+](=O)[O-]

STK556208
Synonyms: ethyl2- {[(3- chlorophenyl)carbamoyl]amino}- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Nc2cccc(c2)Cl)sc2c1CC(C)(C)OC2

STK556209
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- chlorophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2

STK556211
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (4- chlorophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK556212
Synonyms: 6- [5- (4- fluorophenyl)- 4,6- dioxo- 2- phenylhexahydro- 2H- pyrrolo[3,4- d][1,2]oxazol- 3- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1

STK556213
Synonyms: 2- methyl- N- (7- methyl- 1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)propanamide
Smiles: CCCn1nc(c2c1nc1cc(C)ccc1c2)NC(=O)C(C)C

STK556214
Synonyms: N- (9- ethyl- 9H- carbazol- 3- yl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK556215
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (1- phenylpropan- 2- yl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(SCC(=O)NC(Cc3ccccc3)C)nc(nc1s2)SC

STK556216
Synonyms: 5,5'- [(2,4- dichlorophenyl)methanediyl]bis(6- hydroxy- 1,3- dimethyl- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one)
Smiles: Clc1ccc(c(c1)Cl)C(c1c(O)n(C)c(=S)n(c1=O)C)c1c(O)n(C)c(=S)n(c1=O)C

STK556217
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556218
Synonyms: N- (4- chlorophenyl)- 2- {[3- (3- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556219
Synonyms: (2Z)- 2- cyano- 2- [3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- phenylethanamide
Smiles: N#C/C(=C\1/SCC(=O)N1c1ccccc1C)/C(=O)Nc1ccccc1

STK556220
Synonyms: 2- [(5- {[(4- amino- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]methyl}- 4- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N- cyclohexylacetamide
Smiles: O=C(NC1CCCCC1)CSc1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCC1

STK556221
Synonyms: (4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 6- (2- methoxyphenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)F)N=CC=C1

STK556222
Synonyms: N- (2,4- difluorophenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nc2c(c1=O)c1CCCCc1s2

STK556223
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- cyclohexyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: C1CCC(CC1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK556225
Synonyms: 3- (2,4- dimethoxyphenyl)- 5- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(c(c1)OC)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1

STK556226
Synonyms: 7- methoxy- 3- [2- (piperidin- 1- yl)ethyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCN1CCCCC1

STK556228
Synonyms: 2- {4- [(furan- 2- ylmethyl)amino]quinazolin- 2- yl}phenol
Smiles: Oc1ccccc1c1nc(NCc2ccco2)c2c(n1)cccc2

STK556231
Synonyms: (4aS,4bR,7aS,8R)- 6- (4- bromophenyl)- 8- (2,2- dimethylpropanoyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C

STK556232
Synonyms: (6E)- 5- imino- 6- {[1- (3- methylbenzyl)- 1H- indol- 3- yl]methylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK556234
Synonyms: 3- (2- methylpropoxy)- 2- (methylsulfanyl)quinazolin- 4(3H)- one
Smiles: CSc1nc2ccccc2c(=O)n1OCC(C)C

STK556235
Synonyms: N- (2,4- dimethoxyphenyl)- 2- {[6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(SCC(=O)Nc3ccc(cc3OC)OC)nc(nc1s2)SC

STK556236
Synonyms: (4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 6- (4- methylphenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccc(cc1)F

STK556237
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (3- chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK556238
Synonyms: (4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 6- phenyl- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1

STK556239
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- ethyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)c1CCCCc1s2

STK556240
Synonyms: 3- (heptan- 3- yl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCC(C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)OCCC)c1ccccc1)CC

STK556241
Synonyms: 2- {[5- (2- chlorophenyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}- N- (4H- 1,2,4- triazol- 4- yl)acetamide
Smiles: O=C(Nn1cnnc1)CSc1nnc(o1)c1ccccc1Cl

STK556242
Synonyms: 2- [(E)- 2- (3- bromophenyl)ethenyl]- 3- (2,4- dimethylphenyl)- 6- iodoquinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccc(c2)Br)nc2c(c1=O)cc(cc2)I

STK556243
Synonyms: 5,7- dibromoquinolin- 8- yl4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxylate
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Oc1c(Br)cc(c2c1nccc2)Br

STK556244
Synonyms: N- [4- (diethylamino)phenyl]- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)N(CC)CC)nnc1c1cccnc1

STK556246
Synonyms: 11- {[(E)- (3- methoxyphenyl)methylidene]amino}- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1cccc(c1)/C=N/n1c2nc3ccccc3nc2c2c1ncn(c2=O)CCc1ccccc1

STK556247
Synonyms: N'- [(E)- (4- chlorophenyl)methylidene]- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)Cl

STK556249
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(2E)- 2- (pyridin- 4- ylmethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2ccncc2)nc2c1c(=O)n(c(=O)n2C)C

STK556250
Synonyms: 4- [3- (4- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK556251
Synonyms: 7- (4- chlorobenzyl)- 8- [(2E)- 2- (4- chlorobenzylidene)hydrazinyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK556252
Synonyms: (6aS,6bR,9aS,10R)- N- (2,5- dimethoxyphenyl)- 8- (4- methylphenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)C)C=Cc1c2cccc1)OC

STK556253
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK556254
Synonyms: 3- (3- chlorophenyl)- 6- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccc(c1)Cl

STK556256
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (5- phenyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cn[nH]c1c1ccccc1

STK556258
Synonyms: 1- (dimethylamino)propan- 2- yl(2E)- 3- (1,3- benzodioxol- 5- yl)- 2- [(phenylcarbonyl)amino]prop- 2- enoate
Smiles: CN(CC(OC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)C)C

STK556259
Synonyms: (5Z)- 5- {[5- (3,4- dichlorophenyl)furan- 2- yl]methylidene}- 2- [4- (2- methylphenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccccc1C

STK556260
Synonyms: 6- (biphenyl- 4- yl)- 3- (2,4- dichlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK556262
Synonyms: 1- [(4- phenoxybenzyl)oxy]- 3- phenylquinoxalin- 2(1H)- one4- oxide
Smiles: O=c1n(OCc2ccc(cc2)Oc2ccccc2)c2ccccc2[n+](c1c1ccccc1)[O-]

STK556263
Synonyms: 6- (4- chlorophenyl)- 3- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)Cl

STK556265
Synonyms: (3aR,6aS)- 3- (3- nitrophenyl)- 5- (4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: O=C1[C@H]2ON=C([C@H]2C(=O)N1c1ccc(cc1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]

STK556267
Synonyms: 2- [3- (4- chlorophenyl)- 6,6- dimethyl- 2,4- dioxo- 3,4,5,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 1(6H)- yl]- N- (1- phenylpropan- 2- yl)acetamide
Smiles: CC(Cc1ccccc1)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CC(OC3)(C)C

STK556268
Synonyms: (8S,8aR,11aS,11bS)- 10- benzyl- 8- (phenylcarbonyl)- 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]2[C@@H]2N1C=Cc1c2cccc1)Cc1ccccc1)c1ccccc1

STK556269
Synonyms: (6Z)- 5- imino- 6- {4- [(2- methylbenzyl)oxy]benzylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3ccccc3C)/C2=N)s1

STK556270
Synonyms: 2- (2- bromophenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: Brc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK556271
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(1- phenylethyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(SC(c2ccccc2)C)nc2c1c(=O)n(c(=O)n2C)C

STK556273
Synonyms: (6Z)- 6- [3- chloro- 4- (2- phenoxyethoxy)benzylidene]- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)Cl)OCCOc3ccccc3)/C2=N)s1

STK556275
Synonyms: (6Z)- 3- (benzylsulfanyl)- 6- ({1- [2- (2- chlorophenoxy)ethyl]- 1H- pyrrol- 2- yl}methylidene)- 5- imino- 5,6- dihydro- 7H- [1,2,4]thiadiazolo[4,5- a]pyrimidin- 7- one
Smiles: Clc1ccccc1OCCn1cccc1/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2

STK556276
Synonyms: (2E)- 3- (3,4- dimethoxyphenyl)- N- [(9,10- dioxo- 9,10- dihydroanthracen- 2- yl)carbamothioyl]prop- 2- enamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2c(C3=O)cccc2)ccc1OC

STK556277
Synonyms: N- [1- benzyl- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1)C(F)(F)F

STK556278
Synonyms: 3- butyl- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)OCCC)c1ccccc1

STK556280
Synonyms: methyl3- {[(1- phenylcyclopentyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1(CCCC1)c1ccccc1)cccc2

STK556281
Synonyms: 2- {[10,10- dimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (4- phenylbutan- 2- yl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)NC(CCc1ccccc1)C)nn2)CC(OC3)(C)C

STK556282
Synonyms: 7- (4- methylpiperazin- 1- yl)- 4- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CN1CCN(CC1)c1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1

STK556284
Synonyms: (6Z)- 6- {4- [(2,4- dichlorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556286
Synonyms: N- (2- chlorophenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556287
Synonyms: N- {6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 1- [3- (trifluoromethyl)phenyl]- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl}- 2- fluorobenzamide
Smiles: O=C1CC(C)(C)CC2=C1C(NC(=O)c1ccccc1F)(C(=O)N2c1cccc(c1)C(F)(F)F)C(F)(F)F

STK556291
Synonyms: methyl(8S,8aR,11aS,11bS)- 10- (4- fluorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)F

STK556292
Synonyms: 2- {[7,7- dimethyl- 2- (4- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C)C

STK556293
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(E)- (6- methylpyridin- 2- yl)methylidene]acetohydrazide
Smiles: Cc1cccc(n1)/C=N/NC(=O)Cn1nc(cc1C)C

STK556295
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [4- (propan- 2- yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)C(C)C

STK556296
Synonyms: N- [4- (benzyloxy)phenyl]- 3- (4- methylpiperidin- 1- yl)propanamide
Smiles: CC1CCN(CC1)CCC(=O)Nc1ccc(cc1)OCc1ccccc1

STK556298
Synonyms: 3- (2- chlorophenyl)- 6- (2,5- dimethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccccc1Cl)OC

STK556300
Synonyms: N- (3- chlorophenyl)- 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc(c2)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK556301
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- N'- [(E)- (2- hydroxynaphthalen- 1- yl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(O)ccc2c1cccc2

STK556302
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br

STK556303
Synonyms: 3- (2- chlorophenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccccc1c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK556304
Synonyms: 1- (4- butoxy- 3- chlorobenzyl)guanidine
Smiles: CCCCOc1ccc(cc1Cl)CNC(=N)N

STK556305
Synonyms: 7- methoxy- 3- [2- (piperazin- 1- yl)ethyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCN1CCNCC1

STK556307
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 10,10- dimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Br)nn2)CC(OC3)(C)C

STK556308
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (1- heptyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: CCCCCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(c(=O)n3)Cc2ccccc2Cl)/C1=O

STK556309
Synonyms: N- cyclohexyl- 2- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK556310
Synonyms: N- (2,4- difluorophenyl)- 2- {[3- (4- ethoxyphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nc2c(c1=O)c1CCCCc1s2

STK556311
Synonyms: 2- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}benzoicacid
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1C(=O)O

STK556312
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)C

STK556314
Synonyms: methyl{[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetate
Smiles: CCCSc1nc(SCC(=O)OC)c2c(n1)sc1c2CC(OC1)(C)C

STK556315
Synonyms: 3- [5- (4- ethylphenoxy)pentyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCc1ccc(cc1)OCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK556317
Synonyms: 2- [(5Z)- 5- (2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanedioicacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CC(=O)O

STK556319
Synonyms: (8R,8aS,11aR)- 8- (2,2- dimethylpropanoyl)- 10- (2- methoxy- 5- nitrophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2)[N+](=O)[O-]

STK556320
Synonyms: 8- [(2E)- 2- (4- bromobenzylidene)hydrazinyl]- 7- (4- chlorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)Br)nc2c1c(=O)n(c(=O)n2C)C

STK556321
Synonyms: 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(2E)- 1- phenylbutan- 2- ylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])/Cc1ccccc1

STK556322
Synonyms: 2- amino- 1- butyl- N- (2- methylpropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCC(C)C

STK556323
Synonyms: methyl(1'R,2'R)- 2'- (4- nitrophenyl)- 1,3- dioxo- 1,1',2',3- tetrahydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxylate
Smiles: COC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1

STK556324
Synonyms: 3- {[(E)- (4- fluorophenyl)methylidene]amino}- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)F

STK556325
Synonyms: 2- {4- [4- (butan- 2- yl)phenoxy]quinazolin- 2- yl}phenol
Smiles: CCC(c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccc1O)C

STK556326
Synonyms: 3- [5- (3- nitrophenyl)furan- 2- yl]- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(c1ccc(o1)c1cccc(c1)[N+](=O)[O-])N(O2)c1ccccc1

STK556327
Synonyms: (2Z)- 2- cyano- 2- [5- (3- methoxybenzyl)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- (4- methylphenyl)ethanamide
Smiles: COc1cccc(c1)CC1S/C(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/N(C1=O)c1ccccc1C

STK556328
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methoxybenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)OC)C(C)C)nc1n(c2=O)cccc1C

STK556329
Synonyms: 8,8- dimethyl- 3- octyl- 2- propyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CCCCCCCC)(C)C

STK556330
Synonyms: 4- (benzylsulfanyl)- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK556331
Synonyms: (6Z)- 6- {4- [(4- chlorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556332
Synonyms: 3- (2,4- dimethylphenyl)- 2- [(E)- 2- (2- hydroxyphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccccc2O)nc2c(c1=O)cccc2

STK556334
Synonyms: 2- {[5- (3- bromophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (2,4- dimethoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)/C

STK556338
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556339
Synonyms: N- (furan- 2- ylmethyl)- 2,2- dimethyl- 10- (methylsulfanyl)- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CSc1nc(NCc2ccco2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)C(C)C

STK556340
Synonyms: 3- (3- chlorophenyl)- 1- [2- (4- chlorophenyl)- 2- oxoethyl]- 1,5,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)C(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCC3

STK556341
Synonyms: 1- (diphenylmethyl)- 3- nitro- 5- phenoxy- 1H- 1,2,4- triazole
Smiles: [O-][N+](=O)c1nc(n(n1)C(c1ccccc1)c1ccccc1)Oc1ccccc1

STK556342
Synonyms: 3- (4- chlorophenyl)- 6,6- dimethyl- 1- (2- oxo- 2- phenylethyl)- 1,5,6,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)n1c(=O)n(CC(=O)c2ccccc2)c2c(c1=O)c1CC(C)(C)OCc1s2

STK556343
Synonyms: (2Z)- 2- {3- chloro- 5- methoxy- 4- [3- (2- methoxyphenoxy)propoxy]benzylidene}[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: COc1cc(cc(c1OCCCOc1ccccc1OC)Cl)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK556344
Synonyms: 5- (4- bromophenyl)- 2- phenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1

STK556345
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556346
Synonyms: 2- [(3- bromobenzyl)sulfanyl]- 3- (4- methylphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)Br)nc2c(c1=O)c1CCCCc1s2

STK556347
Synonyms: (6aS,6bR,9aS,10R)- N- (2,5- dimethoxyphenyl)- 8- (3- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)[N+](=O)[O-])C=Cc1c2cccc1)OC

STK556348
Synonyms: N- (2,4- dimethoxyphenyl)- 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1OC)OC)nn2)CC(OC3)(C)CC

STK556349
Synonyms: 3- methoxy- 2- [(2- phenylethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: COn1c(SCCc2ccccc2)nc2c(c1=O)cccc2

STK556350
Synonyms: 6,6- dimethyl- 4- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCC(=C)C)c2c(n1)sc1c2CC(OC1)(C)C

STK556352
Synonyms: 5- (4- fluorophenyl)- 3- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK556354
Synonyms: 4- [3- (2,4- dichlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- diethylaniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1Cl)Cl)CC

STK556355
Synonyms: 2- [(6- {[4,6- bis(propan- 2- ylamino)- 1,3,5- triazin- 2- yl]oxy}pyridazin- 3- yl)oxy]acetamide
Smiles: CC(Nc1nc(Oc2ccc(nn2)OCC(=O)N)nc(n1)NC(C)C)C

STK556356
Synonyms: 9- chloro- 2- (5- methylfuran- 2- yl)- 5- (pyridin- 4- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccncc1)c1ccc(o1)C

STK556358
Synonyms: 6- (3,4- dimethoxyphenyl)- 3- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(c(c1)OC)OC

STK556359
Synonyms: 1,3- dimethyl- 7- [2- (3- nitrophenyl)- 2- oxoethyl]- 8- (piperidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1

STK556361
Synonyms: 7- (2- fluorophenyl)- 5- (3- methoxyphenyl)- 4,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(n2c(N1)nnn2)c1ccccc1F

STK556362
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N\NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br)/c1ccccc1

STK556363
Synonyms: 3- (2,5- dimethoxyphenyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(c(c1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1)OC

STK556364
Synonyms: 4- [(4- bromobenzyl)sulfanyl]- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C

STK556365
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556366
Synonyms: (6aR,6bS,9aR,10S)- 8- [4- chloro- 3- (trifluoromethyl)phenyl]- 10- [(3- nitrophenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(c(c1)C(F)(F)F)Cl)C=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-]

STK556367
Synonyms: 2- ({6- amino- 2- [(3- methylbutyl)amino]- 5- nitropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(NCCC(C)C)nc(c1[N+](=O)[O-])N

STK556368
Synonyms: 4- [(2E)- 2- (2- hydroxy- 3- methoxy- 5- nitrobenzylidene)hydrazinyl]- N- (4- methoxyphenyl)- 4- oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1cc(cc(c1O)OC)[N+](=O)[O-]

STK556369
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 6- iodo- 2- [(E)- 2- (3- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccc(c1)C)c1ccc(cc1Cl)[N+](=O)[O-]

STK556371
Synonyms: (6E)- 6- {[2,5- dimethyl- 1- (naphthalen- 2- yl)- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc4c(c3)cccc4)C)/C2=N)s1

STK556373
Synonyms: 6- iodo- 3- (4- methoxyphenyl)- 2- [(3- methylbutyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCCC(C)C)nc2c(c1=O)cc(cc2)I

STK556374
Synonyms: (2'R,3'R)- 3'- acetyl- 2'- (4- hydroxy- 3- methoxyphenyl)- 2,2- dimethyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: COc1cc(ccc1O)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2

STK556375
Synonyms: 3- (4- chlorophenyl)- 5- (2,6- dimethylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1c(C)cccc1C)c1ccccc1

STK556377
Synonyms: 2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 9- methyl- 3- {(Z)- [4- oxo- 3- (propan- 2- yl)- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)/C1=O)C

STK556378
Synonyms: 7- (4- fluorobenzyl)- 1,3- dimethyl- 8- [(2E)- 2- (4- methylbenzylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C

STK556379
Synonyms: methyl3- [(1,3- benzodioxol- 5- ylcarbonyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc3c(c1)OCO3)cccc2

STK556380
Synonyms: (3aR,6aS)- 3- (2,4- dichlorophenyl)- 5- (2- methyl- 4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]

STK556382
Synonyms: ethyl4- [(5- {[(4- amino- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]methyl}- 4- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]butanoate
Smiles: CCOC(=O)CCCSc1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCC1

STK556383
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (3- methylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556384
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: CCCSc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK556385
Synonyms: 6- (3- bromophenyl)- 3- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1ccccc1

STK556386
Synonyms: methyl3- {[(4- cyclohexylpiperazin- 1- yl)acetyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)C1CCCCC1)ccc(c2)OC

STK556387
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dimethylamino)methyl]- N'- [(E)- (2- ethoxyphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1ccccc1/C=N/NC(=O)c1nnn(c1CN(C)C)c1nonc1N

STK556388
Synonyms: 3- (4- chlorophenyl)- 2- [(2- hydroxyethyl)amino]- 6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: OCCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CC(CC3)C

STK556390
Synonyms: 6- iodo- 2- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}- 3- (prop- 2- en- 1- yl)quinazolin- 4(3H)- one
Smiles: C=CCn1c(SCC(=O)N2CCCCC2)nc2c(c1=O)cc(cc2)I

STK556391
Synonyms: (5Z)- 5- {[5- (3,4- dichlorophenyl)furan- 2- yl]methylidene}- 2- [4- (2- nitrophenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK556392
Synonyms: 2- (benzylsulfanyl)- 3- methoxyquinazolin- 4(3H)- one
Smiles: COn1c(SCc2ccccc2)nc2c(c1=O)cccc2

STK556394
Synonyms: 2- (2- {[4- amino- 6- (4- methylpiperidin- 1- yl)- 5- nitropyrimidin- 2- yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)N1CCC(CC1)C)[N+](=O)[O-]

STK556395
Synonyms: 6- methyl- 2- {[(E)- (3- phenyl- 1H- pyrazol- 4- yl)methylidene]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(/N=C/c2c[nH]nc2c2ccccc2)sc2c1CCC(C2)C

STK556396
Synonyms: 6- (4- methylpiperazin- 1- yl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CC1CCN(CC1)c1nc(N)c(c(n1)N1CCN(CC1)C)[N+](=O)[O-]

STK556397
Synonyms: (6Z)- 6- (3- chloro- 4- {2- [4- (propan- 2- yl)phenoxy]ethoxy}benzylidene)- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CC(c1ccc(cc1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)C

STK556398
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 6- iodo- 2- [(E)- 2- (3- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccc(c1)[N+](=O)[O-])c1ccc(cc1Cl)[N+](=O)[O-]

STK556399
Synonyms: (6aS,6bR,9aS,10R)- 10- (phenylcarbonyl)- 8- (2- phenylethyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(CCc2ccccc2)C(=O)[C@H]2[C@@H]1[C@@H]1C=Cc3c(N1[C@H]2C(=O)c1ccccc1)cccc3

STK556400
Synonyms: (6Z)- 5- imino- 6- {4- [(4- methylbenzyl)oxy]benzylidene}- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556401
Synonyms: 2- {[3- (2- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK556403
Synonyms: (4aS,4bR,7aS,8R)- 8- (2,2- dimethylpropanoyl)- 6- (2- methoxy- 5- nitrophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C)[N+](=O)[O-]

STK556406
Synonyms: 2- ({6- amino- 5- nitro- 2- [(2- phenylethyl)amino]pyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK556407
Synonyms: 2- {[5- (4- methoxyphenyl)- 8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3,4- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- phenylpropanamide
Smiles: COc1ccc(cc1)c1nc2CC(C)(C)OCc2c2n1c(nn2)SC(C(=O)Nc1ccccc1)C

STK556408
Synonyms: N~2~- (3,4- dimethylphenyl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: Cc1cc(ccc1C)Nc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]

STK556410
Synonyms: N,N- diethyl- 4- [3- (pyridin- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccccn1)CC

STK556411
Synonyms: (6Z)- 6- {4- [2- (4- tert- butylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccc(cc1)C(C)(C)C)c1cccnc1

STK556413
Synonyms: 3- pentyl- 11- (4- phenoxyphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Oc1ccccc1

STK556415
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (3- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK556416
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)NCCC1=CCCCC1

STK556418
Synonyms: 2- [3- (3- chlorophenyl)- 2,4- dioxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 1(2H)- yl]- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3

STK556419
Synonyms: 1,3- dimethyl- 8- (3- methylphenyl)- 7- (3- nitrophenyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Cc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1cccc(c1)[N+](=O)[O-]

STK556420
Synonyms: 4- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}- 2- methoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OC(=O)C

STK556422
Synonyms: (6Z)- 5- imino- 6- [4- (methylsulfanyl)benzylidene]- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CSc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK556423
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3,5- dichloro- 2- methoxyphenyl)methylidene]- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1c(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(cc1Cl)Cl

STK556425
Synonyms: 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK556429
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(2E)- butan- 2- ylidene]- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC/C(=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N)/C

STK556431
Synonyms: (8S,8aR,11aS,11bS)- 10- (3,5- dichlorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: NC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl

STK556432
Synonyms: 2- [(E)- {2- [4- (3- methylphenyl)piperazin- 1- yl]- 4- oxo- 1,3- thiazol- 5(4H)- ylidene}methyl]phenylbenzenesulfonate
Smiles: Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/S1

STK556434
Synonyms: N~1~- [(E)- {2- [(4- nitrobenzyl)oxy]phenyl}methylidene]- 1H- tetrazole- 1,5- diamine
Smiles: Nc1nnnn1/N=C/c1ccccc1OCc1ccc(cc1)[N+](=O)[O-]

STK556435
Synonyms: [4- (benzyloxy)phenyl][(2- methoxyphenyl)amino]acetonitrile
Smiles: N#CC(c1ccc(cc1)OCc1ccccc1)Nc1ccccc1OC

STK556436
Synonyms: 3- (2- chlorophenyl)- 6- (2- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccccc1c1sc2n(n1)c(nn2)c1ccccc1Cl

STK556438
Synonyms: 5- (4- chlorophenyl)- 3- (2- chloroquinolin- 3- yl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl

STK556440
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK556441
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~- (3- methoxypropyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COCCCNc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]

STK556443
Synonyms: 1- (1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCC3(CC1)OCCO3)O)c(n2Cc1ccccc1)C

STK556444
Synonyms: 1- (2- hydroxyethyl)- 2- imino- 10- methyl- 5- oxo- N- (pyridin- 3- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: OCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1cccnc1

STK556446
Synonyms: 3- (3- methylphenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK556447
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- yl)- N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop- 2- enamide
Smiles: S=C(NC(=O)/C=C/c1ccc2c(c1)OCO2)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK556449
Synonyms: 5- (4- methylphenyl)- 7- (3- nitrophenyl)- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Cc1ccc(cc1)C1=CC(n2c(N1)ncn2)c1cccc(c1)[N+](=O)[O-]

STK556450
Synonyms: (5Z)- 5- {[3- (3- butoxyphenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 3- (tetrahydrofuran- 2- ylmethyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)c1ccccc1

STK556451
Synonyms: 2- [(naphthalen- 2- yloxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: C1CCC2(CC1)Cc1ccccc1c1c2c2nc(nn2cn1)COc1ccc2c(c1)cccc2

STK556452
Synonyms: 2- imino- 1- (4- methoxybenzyl)- 5- oxo- N- (1- phenylethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COc1ccc(cc1)Cn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NC(c1ccccc1)C

STK556456
Synonyms: (6Z)- 5- imino- 6- [3- methoxy- 4- (2- phenoxyethoxy)benzylidene]- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK556457
Synonyms: N~2~- (4- methylphenyl)- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK556458
Synonyms: (4aR,4bS,7aR,8S)- 6- (4- bromophenyl)- 5,7- dioxo- N- phenyl- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)Nc1ccccc1

STK556460
Synonyms: 4- [3- (2- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- dimethylaniline
Smiles: Clc1ccccc1c1nnc2n1nc(s2)c1ccc(cc1)N(C)C

STK556462
Synonyms: N- (4- acetylphenyl)- 2- [3- (3- chlorophenyl)- 2,4- dioxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 1(2H)- yl]acetamide
Smiles: O=C(Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3)Nc1ccc(cc1)C(=O)C

STK556464
Synonyms: 2- [(4- bromobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CCN(Cc1s2)C

STK556465
Synonyms: 4- {(2E)- 2- [(5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]hydrazinyl}- N- (4- methoxyphenyl)- 4- oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK556466
Synonyms: ethyl{[3- (2- ethoxy- 2- oxoethoxy)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2ccccc2c(=O)n1OCC(=O)OCC

STK556469
Synonyms: (6E)- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 6- {[1- (2- phenoxyethyl)- 1H- indol- 3- yl]methylidene}- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3ccccc3)/C2=N)s1

STK556470
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (3- chloro- 4- methoxyphenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556471
Synonyms: 5- (4- bromophenyl)- 3- (2- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccccc1

STK556472
Synonyms: 2- (piperidin- 1- ylmethyl)- 6,7,8,9- tetrahydro- 5H- [1]benzothieno[2,3- d][1,3]thiazolo[3,2- a]pyrimidin- 5- one
Smiles: O=c1n2cc(sc2nc2c1c1CCCCc1s2)CN1CCCCC1

STK556473
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2nccs2)c2c(n1)sc1c2CC(OC1)(C)C

STK556474
Synonyms: 4- (4- chlorophenyl)- 7- methyl- 1- [(3- methylbutyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C)C

STK556475
Synonyms: 4- {(E)- [5- imino- 7- oxo- 2- (pyridin- 3- yl)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}- 2- methoxyphenyl4- chlorobenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556476
Synonyms: (3aR,6aS)- 3- (2,4- dichlorophenyl)- 5- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]

STK556477
Synonyms: 4- butyl- N- (3- methoxypropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3NCCCOC

STK556478
Synonyms: 4- chloro- N- [1- (4- methylphenyl)- 2,5- dioxo- 4- (trifluoromethyl)imidazolidin- 4- yl]benzamide
Smiles: Cc1ccc(cc1)N1C(=O)NC(C1=O)(NC(=O)c1ccc(cc1)Cl)C(F)(F)F

STK556479
Synonyms: 2- [(6- bromo- 2- methylquinolin- 4- yl)sulfanyl]- N'- [(E)- (4- bromophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/c1ccc(cc1)Br

STK556481
Synonyms: 9- (propan- 2- yl)- 2- (pyridin- 3- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC(N1CCc2c(C1)sc1c2c2nc(nn2cn1)c1cccnc1)C

STK556482
Synonyms: 3- (4- methylphenyl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)C

STK556483
Synonyms: 4- {[(8R,8aR,11aS,11bS)- 10- (4- methoxyphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 8- yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)C=Cc2c1cccc2

STK556484
Synonyms: ethyl3- {[(2,2- dibromo- 1- methylcyclopropyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1(C)CC1(Br)Br)cccc2

STK556485
Synonyms: 4- {(5Z)- 5- [(3- {3- [(4- fluorobenzyl)oxy]phenyl}- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)OCc2ccc(cc2)F)c2ccccc2)/C1=O

STK556487
Synonyms: 5- (morpholin- 4- yl)- 2- (4- nitrophenyl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinolin- 1- amine
Smiles: [O-][N+](=O)c1ccc(cc1)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK556488
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)C)c2c(n1)sc1c2CC(OC1)(C)C

STK556489
Synonyms: N- (4- chlorophenyl)- 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK556490
Synonyms: 3- methyl- 7- {[3- (pyrrolidin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCCN1CCCC1)c(=O)c1c(c2=O)cccc1

STK556491
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cccc2c1cccc2

STK556492
Synonyms: 3- [2- (diethylamino)ethyl]- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCN(CCn1cnc2c(c1=O)[nH]c1c2ccc(c1)OC)CC

STK556493
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (2,4- dimethylphenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)C

STK556494
Synonyms: (1'S,2'S,3R,3a'R)- 2'- [(2- chlorophenyl)carbonyl]- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)c1ccccc1

STK556495
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- [(4- oxo- 3- phenyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK556496
Synonyms: N- [1- (4- fluorophenyl)- 2,5- dioxopyrrolidin- 3- yl]- N- hydroxyheptanamide
Smiles: CCCCCCC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)F)O

STK556497
Synonyms: 5- benzyl- 2- phenyl- 3- propyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCC1C2C(=O)N(C(=O)C2ON1c1ccccc1)Cc1ccccc1

STK556498
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (3- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK556500
Synonyms: 3- (3- ethoxyphenyl)- 6- (3- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1cccc(c1)C

STK556501
Synonyms: (6Z)- 6- {4- [2- (2,6- dimethylphenoxy)ethoxy]- 3- methoxybenzylidene}- 5- imino- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1c(C)cccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK556502
Synonyms: 2- [(5Z)- 5- {[3- (3- ethoxyphenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]ethanesulfonicacid
Smiles: CCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1

STK556503
Synonyms: N- (2- chlorophenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK556504
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (benzyloxy)phenyl]methylidene}- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)OCc1ccccc1

STK556507
Synonyms: 2- {[10,10- dimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccccc1C)nn2)CC(OC3)(C)C

STK556508
Synonyms: 5- (4- bromophenyl)- 3- (4- hydroxy- 3- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cc(ccc1O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)Br

STK556510
Synonyms: 2- [(5- {[(4- amino- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]methyl}- 4- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(CSc1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCC1)NCc1cccnc1

STK556511
Synonyms: methylN- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK556512
Synonyms: N- (1- butyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)- 3- methoxybenzamide
Smiles: CCCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1cccc(c1)OC

STK556513
Synonyms: 5- (benzylsulfanyl)- 3- (heptylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCCCCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK556514
Synonyms: 4- (3- ethylphenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: CCc1cccc(c1)Oc1nc(nc2c1cccc2)c1ccccn1

STK556515
Synonyms: 3- (3- chlorophenyl)- 6- (2,6- dimethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1nn2c(s1)nnc2c1cccc(c1)Cl)OC

STK556516
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 2- [(E)- 2- (4- chlorophenyl)ethenyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])I

STK556517
Synonyms: 5- (2- methylphenyl)- 2- phenyl- 3- (pyridin- 3- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccccc1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccnc1

STK556518
Synonyms: 2,2- dimethyl- N- (6- methyl- 1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)propanamide
Smiles: CCCn1nc(c2c1nc1ccc(cc1c2)C)NC(=O)C(C)(C)C

STK556519
Synonyms: 6- (4- benzylpiperazin- 1- yl)- 2- (4- benzylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCN(CC1)Cc1ccccc1)N1CCC(CC1)Cc1ccccc1

STK556520
Synonyms: 2- [3- (4- chlorophenyl)- 6,6- dimethyl- 2,4- dioxo- 3,4,5,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 1(6H)- yl]- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CC(OC3)(C)C

STK556521
Synonyms: ethyl(1R,2R,3R,3aS)- 1- {[4- (acetyloxy)phenyl]carbonyl}- 3- cyano- 2- phenyl- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

STK556522
Synonyms: 3,3'- (hydroxyimino)bis[1- (3- chloro- 2- methylphenyl)pyrrolidine- 2,5- dione]
Smiles: ON(C1CC(=O)N(C1=O)c1cccc(c1C)Cl)C1CC(=O)N(C1=O)c1cccc(c1C)Cl

STK556523
Synonyms: 2- (morpholin- 4- yl)- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCOCC1

STK556524
Synonyms: (6Z)- 6- [4- (benzyloxy)- 3- chloro- 5- ethoxybenzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1ccccc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556527
Synonyms: N'- [2,2- dimethyl- 10- (methylsulfanyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]- N,N- dimethylethane- 1,2- diamine
Smiles: CSc1nc(NCCN(C)C)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK556528
Synonyms: 2,2- dimethyl- 8- (4- methylpiperazin- 1- yl)- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCN(CC1)C)C

STK556529
Synonyms: 9- bromo- 5- (4- methylphenyl)- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Cc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1cccs1)Br

STK556533
Synonyms: 5- (4- bromophenyl)- 3- (2,5- dimethoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)Br)OC

STK556535
Synonyms: 3- [5- (2,4- dimethylphenoxy)pentyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccc(cc1C)C

STK556539
Synonyms: (6Z)- 6- {4- [2- (2- chlorophenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccccc1Cl)c1cccnc1

STK556541
Synonyms: 1- phenyl- 1H- tetrazol- 5- yl(1E)- N- (4- methylphenyl)- 2- oxo- 2- phenylethanehydrazonothioate
Smiles: Cc1ccc(cc1)N/N=C(\C(=O)c1ccccc1)/Sc1nnnn1c1ccccc1

STK556542
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 7'- methoxy- 2'- [(4- pentylphenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)OC)C(=O)C(C)(C)C

STK556543
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(3- chlorobenzyl)oxy]phenyl}methylidene]- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Clc1cccc(c1)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N

STK556544
Synonyms: 3- (3- chlorophenyl)- 1- (2- oxo- 2- phenylethyl)- 1,5,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)c1ccccc1

STK556545
Synonyms: 2- [(3- ethyl- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (2- phenylethyl)acetamide
Smiles: CCn1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)c1CCN(Cc1s2)C

STK556546
Synonyms: 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- phenylpropanamide
Smiles: COc1ccc(cc1)c1nc(SC(C(=O)Nc2ccccc2)C)c2c(n1)CC(OC2)(C)C

STK556547
Synonyms: 4- (benzylsulfanyl)- 6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC

STK556548
Synonyms: 4- [(2,6- dichlorobenzyl)sulfanyl]- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2c(Cl)cccc2Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK556549
Synonyms: 3- {4- [(5Z)- 5- {[5- (4- nitrophenyl)furan- 2- yl]methylidene}- 4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl]piperazin- 1- yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/S1

STK556550
Synonyms: 3- (2- chloroquinolin- 3- yl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1nc2ccccc2cc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK556551
Synonyms: 4- [(2- chlorobenzyl)sulfanyl]- 6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccccc2Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK556552
Synonyms: methyl6- methoxy- 3- [(2- phenylbutanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCC(c1ccccc1)C(=O)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC

STK556553
Synonyms: 3- (furan- 2- ylmethyl)- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: O=C(c1cccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK556554
Synonyms: N- (2- chlorophenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556555
Synonyms: 11- {[(E)- (4- methylphenyl)methylidene]amino}- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c2c1ncn(c2=O)CCc1ccccc1

STK556556
Synonyms: 4- {[(8R,8aR,11aS,11bS)- 10- (naphthalen- 1- yl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3

STK556557
Synonyms: 3- (benzylsulfanyl)- 10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccccc1)nn2)CC(OC3)(C)CC

STK556558
Synonyms: 1- (3- bromophenyl)- 3- [hydroxy(phenyl)amino]pyrrolidine- 2,5- dione
Smiles: Brc1cccc(c1)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK556559
Synonyms: 6- ethyl- 6- methyl- 12- (prop- 2- en- 1- yl)- 9- (prop- 2- en- 1- ylsulfanyl)- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: C=CCn1c2c3ccccc3CC(c2c(=O)n2c1nnc2SCC=C)(C)CC

STK556561
Synonyms: ethylN- [(1- phenylcyclopentyl)carbonyl]glycinate
Smiles: CCOC(=O)CNC(=O)C1(CCCC1)c1ccccc1

STK556562
Synonyms: (6E)- 6- ({1- [4- (butan- 2- yl)phenyl]- 2,5- dimethyl- 1H- pyrrol- 3- yl}methylidene)- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCC(c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1)C

STK556563
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(1E,2E)- 2- methyl- 3- [4- (propan- 2- yl)phenyl]prop- 2- en- 1- ylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/C(=C/c1ccc(cc1)C(C)C)/C

STK556565
Synonyms: (8S,8aR,11aS,11bS)- 10- cyclohexyl- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C1N(C2CCCCC2)C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK556566
Synonyms: 5- (3- methylphenyl)- 2- phenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1

STK556567
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2,6- dichlorophenyl)methylidene]- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(Cl)cccc1Cl

STK556568
Synonyms: 3- [2- (3,4- dimethoxyphenyl)ethyl]- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCc1ccc(c(c1)OC)OC

STK556569
Synonyms: 6- (4- benzylpiperazin- 1- yl)- N~2~,N~2~- diethyl- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN(c1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-])CC

STK556570
Synonyms: 4- (4- bromophenyl)- 2- (diphenylphosphoryl)- 4- oxobutanoicacid
Smiles: OC(=O)C(P(=O)(c1ccccc1)c1ccccc1)CC(=O)c1ccc(cc1)Br

STK556572
Synonyms: 3- [6- (2- ethylphenoxy)hexyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCc1ccccc1OCCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK556573
Synonyms: 2- [(4- amino- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK556574
Synonyms: (4aR,4bS,7aR,8S)- 6- (4- acetylphenyl)- 8- (2,2- dimethylpropanoyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)C(C)(C)C

STK556575
Synonyms: 6- (azepan- 1- yl)- N~2~- (4- methylbenzyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-]

STK556577
Synonyms: 4- {(2E)- 2- [(5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]hydrazinyl}- N- (4- ethoxyphenyl)- 4- oxobutanamide
Smiles: CCOc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK556578
Synonyms: 2- {[2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK556580
Synonyms: 5- (4- chlorophenyl)- 3- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK556581
Synonyms: N~2~- (butan- 2- yl)- N~4~- (4- ethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NC(CC)C)nc(c1[N+](=O)[O-])N

STK556583
Synonyms: (2Z)- 2- cyano- N- (4- methylphenyl)- 2- [(5E)- 3- (2- methylphenyl)- 4- oxo- 5- (2- propoxybenzylidene)- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: CCCOc1ccccc1/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccccc1C

STK556584
Synonyms: 6- methoxy- 4- methylquinoline- 2- thiol
Smiles: COc1ccc2c(c1)c(C)cc(n2)S

STK556586
Synonyms: 2- (benzylsulfanyl)- 6,6- dimethyl- 4- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK556587
Synonyms: 2- [4- (2- bromo- 4- methylphenoxy)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2Br)C)c2c(n1)cccc2

STK556590
Synonyms: 5- (benzylsulfanyl)- 3- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK556591
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- pyrido[1,2- g][1,6]naphthyridin- 2- ylidene]thiophene- 2- carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccs1)C(C)C)cc1n(c2=O)cccc1C

STK556592
Synonyms: 3,6- bis(3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1cccc(c1)OCC

STK556594
Synonyms: (6Z)- 5- imino- 2- [2- (morpholin- 4- yl)- 2- oxoethyl]- 6- [(5- phenylfuran- 2- yl)methylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccccc3)/C2=N)s1

STK556595
Synonyms: 3- (2- methoxyphenyl)- 5- (3- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1

STK556597
Synonyms: N- (2- bromo- 5- nitrophenyl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1cc(ccc1Br)[N+](=O)[O-]

STK556598
Synonyms: 6- (4- benzylpiperazin- 1- yl)- N~2~- (2- methoxyethyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: COCCNc1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK556599
Synonyms: N~2~- (3- methylphenyl)- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK556600
Synonyms: 3- (4- tert- butylphenyl)- 6- (2,5- dimethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccc(cc1)C(C)(C)C)OC

STK556601
Synonyms: (5Z)- 5- {[3- (3- butoxyphenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 3- (2- methylpropyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(C)C)c1ccccc1

STK556603
Synonyms: (6Z)- 5- imino- 6- {4- [(4- nitrobenzyl)oxy]benzylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3ccc(cc3)[N+](=O)[O-])/C2=N)s1

STK556604
Synonyms: methylN- {[4- (pentafluorophenoxy)phenyl]carbamoyl}- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F

STK556605
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (5- nitrothiophen- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK556606
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccccc1F

STK556609
Synonyms: 5- (naphthalen- 2- yl)- 2- phenyl- 3- propyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1ccc2c(c1)cccc2)c1ccccc1

STK556610
Synonyms: 1- (4- chlorobenzyl)- 3- [(4- chlorobenzyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[2,3- d][1,2,4]triazolo[4,3- a]pyrimidin- 5(1H)- one
Smiles: Clc1ccc(cc1)CSc1nn(c2n1c(=O)c1c(n2)sc2c1CCCC2)Cc1ccc(cc1)Cl

STK556612
Synonyms: 2- methyl- N- (1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)benzamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1ccccc1C

STK556613
Synonyms: 4- ({(2'S,3S,3'S,10b'R)- 2'- [(2- chlorophenyl)carbonyl]- 2- oxo- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 3'- yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)cccc3

STK556615
Synonyms: 9- bromo- 5- [4- (propan- 2- yl)phenyl]- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)C(C)C)c1cccs1

STK556617
Synonyms: N- [(1- phenylcyclopentyl)methyl]- N'- (2- phenylethyl)ethanediamide
Smiles: O=C(C(=O)NCCc1ccccc1)NCC1(CCCC1)c1ccccc1

STK556618
Synonyms: (6Z)- 6- {3- ethoxy- 4- [(4- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556619
Synonyms: 2- (4- ethylpiperazin- 1- yl)- 6- (4- methylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(N2CCN(CC2)C)c(c(n1)N)[N+](=O)[O-]

STK556621
Synonyms: 6- tert- butyl- 3- (3- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)C(C)(C)C

STK556622
Synonyms: methyl3- [(1,3- benzodioxol- 5- ylcarbonyl)amino]- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc3c(c1)OCO3)ccc(c2)OC

STK556624
Synonyms: 5- benzyl- 3- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)Cc1ccccc1

STK556626
Synonyms: 2- {[5- (4- methoxyphenyl)- 8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3,4- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1nc2CC(C)(C)OCc2c2n1c(SCC(=O)Nc1ccccc1C)nn2

STK556627
Synonyms: (6Z)- 5- imino- 6- {4- [(4- methylbenzyl)oxy]benzylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK556628
Synonyms: (6Z)- 6- {3- chloro- 4- [(4- fluorobenzyl)oxy]- 5- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCc1ccc(cc1)F)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556630
Synonyms: 3- (3- chlorophenyl)- 5- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)Cl

STK556631
Synonyms: (2Z)- 2- cyano- N- (3- methylphenyl)- 2- [(5E)- 3- (4- methylphenyl)- 4- oxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2cc(OC)c(c(c2)OC)OC)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C

STK556632
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (4- chlorophenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556633
Synonyms: 6- (4- chlorophenyl)- 3- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)Cl

STK556635
Synonyms: diethyl3- methyl- 5- [(4- nitrophenyl)amino]biphenyl- 2,6- dicarboxylate
Smiles: CCOC(=O)c1c(Nc2ccc(cc2)[N+](=O)[O-])cc(c(c1c1ccccc1)C(=O)OCC)C

STK556636
Synonyms: 3- (2- chloroquinolin- 3- yl)- 5- (3,4- dichlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1nc2ccccc2cc1C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1

STK556638
Synonyms: 2- [(Z)- {2- [4- (2- nitrophenyl)piperazin- 1- yl]- 4- oxo- 1,3- thiazol- 5(4H)- ylidene}methyl]phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C\c1ccccc1OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK556641
Synonyms: 2- (5- methyl- 1H- pyrazol- 1- yl)- N'- [(E)- (3,4,5- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nccc2C)cc(c1OC)OC

STK556642
Synonyms: ethyl{[5- ethyl- 5- methyl- 4- oxo- 3- (2- phenylethyl)- 3,4,5,6- tetrahydrobenzo[h]quinazolin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC(c2c(=O)n1CCc1ccccc1)(C)CC

STK556645
Synonyms: (6Z)- 6- [3- chloro- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1cccc2c1cccc2)c1cccnc1

STK556646
Synonyms: N- (2- chlorobenzyl)- N'- [(1- phenylcyclopentyl)methyl]ethanediamide
Smiles: O=C(C(=O)NCC1(CCCC1)c1ccccc1)NCc1ccccc1Cl

STK556647
Synonyms: 2- {[4- (4- chlorophenyl)- 7- methyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- phenylacetamide
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)Nc3ccccc3)nnc2n(c1=O)c1ccc(cc1)Cl

STK556648
Synonyms: 3- (2,4- dichlorophenyl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1Cl)Cl

STK556649
Synonyms: 2- (4- chlorophenyl)- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}quinoline- 4- carbohydrazide
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)N/N=C/c1ccc(cc1)N(C)C

STK556650
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- {(E)- [3- methoxy- 4- (propan- 2- yloxy)phenyl]methylidene}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nc(cc2C)C)ccc1OC(C)C

STK556651
Synonyms: 2- [3- (3- chlorophenyl)- 6,6- dimethyl- 2,4- dioxo- 3,4,5,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 1(6H)- yl]- N- (2- phenylethyl)acetamide
Smiles: Clc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n(c1=O)CC(=O)NCCc1ccccc1

STK556653
Synonyms: (6Z)- 6- {4- [(4- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK556654
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK556656
Synonyms: (2E)- 3- [(5- methoxy- 2- methyl- 4- nitrophenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1cc2ccccc2oc1=O

STK556657
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (9- ethyl- 9H- carbazol- 3- yl)acetamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK556658
Synonyms: 3,6- bis(4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1sc2n(n1)c(nn2)c1ccc(cc1)OCC

STK556659
Synonyms: (4aR,4bS,7aR,8S)- 6- (4- fluorophenyl)- 5,7- dioxo- N- phenyl- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)F)Nc1ccccc1

STK556661
Synonyms: 2- methyl- 7- {[3- (4- phenylpiperazin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCN(CC1)c1ccccc1

STK556662
Synonyms: 8,8- dimethyl- 3- pentyl- 7,10- dihydro- 8H- thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCCCCn1cnc2c(c1=O)sc1c2cc2c(n1)CC(SC2)(C)C

STK556663
Synonyms: 3'- (propan- 2- yl)- 5'- (4- propoxyphenyl)- 3a',6a'- dihydro- 2'H- spiro[indene- 2,1'- pyrrolo[3,4- c]pyrrole]- 1,3,4',6'(3'H,5'H)- tetrone
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1(NC2C(C)C)C(=O)c2c(C1=O)cccc2

STK556668
Synonyms: (4aR,4bS,7aR,8S)- 6- (2,4- dichlorophenyl)- 5,7- dioxo- N- phenyl- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)Nc1ccccc1

STK556669
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3,4- dihydroxyphenyl)methylidene]- 5- phenyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1c1ccccc1)c1nonc1N)N/N=C/c1ccc(c(c1)O)O

STK556670
Synonyms: 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 4- thiol
Smiles: CCCSc1nc(S)c2c(n1)sc1c2CC(OC1)(C)C

STK556671
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- pyridin- 3- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccnc1

STK556673
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK556675
Synonyms: 2- (hexylsulfanyl)- 6- iodo- 3- (2- methylprop- 2- en- 1- yl)quinazolin- 4(3H)- one
Smiles: CCCCCCSc1nc2ccc(cc2c(=O)n1CC(=C)C)I

STK556676
Synonyms: (1'S,2'S,3R,3a'R)- 2'- [(4- chlorophenyl)carbonyl]- 1'- (2,2- dimethylpropanoyl)- 7'- methoxy- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Cl

STK556677
Synonyms: 2- [4- oxo- 4- (3- phenylpyrrolidin- 1- yl)butyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C(N1CCC(C1)c1ccccc1)CCCN1C(=O)c2c(C1=O)cccc2

STK556680
Synonyms: 8- (3- chlorophenyl)- 7- (3,4- dimethoxyphenyl)- 1,3- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1cc(ccc1OC)c1cn2c(n1c1cccc(c1)Cl)nc1c2c(=O)n(C)c(=O)n1C

STK556681
Synonyms: 7- chloro- 8- [3- (4- methylphenyl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazol- 5- yl]- 2,3- dihydro[1,4]dioxino[2,3- g]quinoline
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1cc2cc3OCCOc3cc2nc1Cl)S(=O)(=O)C

STK556682
Synonyms: 3- (2- hydroxy- 3- methoxyphenyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cccc(c1O)C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK556688
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [(4- nitrobenzyl)oxy]benzylidene}- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556689
Synonyms: 2- amino- 1- (3- fluorophenyl)- N- (4- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)F

STK556690
Synonyms: (6Z)- 5- imino- 6- {4- [2- (3- methoxyphenoxy)ethoxy]benzylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cccc(c1)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK556691
Synonyms: N- (3- methoxypropyl)- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazin- 8- amine
Smiles: COCCCNc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK556692
Synonyms: [3- (4- methylpiperazin- 1- yl)quinoxalin- 2- yl](phenylsulfonyl)acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccccc1)c1nc2ccccc2nc1N1CCN(CC1)C

STK556694
Synonyms: 3- [(4- nitrobenzyl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 5- amine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc2n1c(N)nc1c2c2CCCCc2s1

STK556695
Synonyms: N,N'- [pyrimidine- 2,4- diylbis(sulfanediylmethanediyl)]bis(4- fluorobenzamide)
Smiles: Fc1ccc(cc1)C(=O)NCSc1ccnc(n1)SCNC(=O)c1ccc(cc1)F

STK556696
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(2E,3E)- 4- phenylbut- 3- en- 2- ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/C=C/c1ccccc1)\C

STK556699
Synonyms: 2- {[2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCC(=O)N)C

STK556700
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK556703
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (4- chlorophenyl)ethylidene]- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)Cl)\C

STK556704
Synonyms: 11- {[(E)- furan- 2- ylmethylidene]amino}- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1ccco1

STK556705
Synonyms: (5E)- 2- [4- (3- chloro- 4- methylphenyl)piperazin- 1- yl]- 5- {[5- (4- nitrophenyl)furan- 2- yl]methylidene}- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccc(c(c1)Cl)C

STK556706
Synonyms: 3- [2- (cyclohex- 1- en- 1- yl)ethyl]- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCC1=CCCCC1

STK556707
Synonyms: N- (4- bromophenyl)- 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C

STK556708
Synonyms: (6E)- 6- [3- ethoxy- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1cccc2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556709
Synonyms: 2- {[7,7- dimethyl- 2- (4- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (3- methoxyphenyl)propanamide
Smiles: COc1cccc(c1)NC(=O)C(Sc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C)C

STK556710
Synonyms: 4- (3- chlorophenyl)- 1- [(4- fluorobenzyl)sulfanyl]- 7,7- dimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Fc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(C)C

STK556711
Synonyms: N- (2,4- dimethoxyphenyl)- 2- {[10- ethyl- 10- methyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1ccc(cc1OC)OC)SC

STK556712
Synonyms: 2- {[6- iodo- 3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N)nc2c(c1=O)cc(cc2)I

STK556713
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 7'- methoxy- 2'- [(4- methoxyphenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)OC)C(=O)C(C)(C)C

STK556714
Synonyms: 2- (4- chlorophenyl)- N'- [(1E)- 1- (5- chlorothiophen- 2- yl)ethylidene]quinoline- 4- carbohydrazide
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)N/N=C(/c1ccc(s1)Cl)\C

STK556715
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK556716
Synonyms: ethyl(1'R,2'R)- 2'- (4- bromophenyl)- 1,3- dioxo- 1,1',2',3- tetrahydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxylate
Smiles: CCOC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1)Br)C(=O)c1c(C2=O)cccc1

STK556717
Synonyms: 5- (4- fluorophenyl)- 3- (2- hydroxy- 5- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(ccc1O)[N+](=O)[O-]

STK556719
Synonyms: 2- [(E)- 2- (4- bromophenyl)ethenyl]- 3- (2- chloro- 4- nitrophenyl)quinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-]

STK556720
Synonyms: 3- [(Z)- (3- cyclohexyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C(=O)N1C1CCCCC1

STK556722
Synonyms: (4- methoxyphenyl)(phenylamino)acetonitrile
Smiles: COc1ccc(cc1)C(Nc1ccccc1)C#N

STK556723
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- ethyl- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: CCn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)cc1c(n2)CCCC1

STK556724
Synonyms: 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556725
Synonyms: 3- (4- hydroxy- 3- methoxyphenyl)- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cc(ccc1O)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK556726
Synonyms: 2- (4- methoxyphenyl)- 3- (5- phenoxypentyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccccc1

STK556727
Synonyms: 1- [(5Z)- 5- ({3- [3- (benzyloxy)phenyl]- 1- phenyl- 1H- pyrazol- 4- yl}methylidene)- 4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl]piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)C1=NC(=O)/C(=C/c2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)/S1

STK556729
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- 6- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CC(C)OC(C1)C

STK556730
Synonyms: 8- bromo- 7- [2- (3,4- dimethoxyphenyl)- 2- oxoethyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1cc(ccc1OC)C(=O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK556731
Synonyms: (6E)- 5- imino- 6- {[1- (3- methylbenzyl)- 1H- indol- 3- yl]methylidene}- 2- [2- (morpholin- 4- yl)- 2- oxoethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1

STK556732
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (2,5- dimethoxyphenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1)OC

STK556733
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (6- methylpyridin- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc(n1)C

STK556734
Synonyms: (4- bromophenyl)[(2- methoxyphenyl)amino]acetonitrile
Smiles: N#CC(c1ccc(cc1)Br)Nc1ccccc1OC

STK556735
Synonyms: 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 5- amine
Smiles: Nc1nc2sc3c(c2c2n1cnn2)CCCC3

STK556736
Synonyms: 3- {(Z)- [3- (furan- 2- ylmethyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2- [(2- hydroxy- 2- phenylethyl)amino]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: S=C1S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C(=O)N1Cc1ccco1

STK556737
Synonyms: 6- (4- chlorophenyl)- 3- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)Cl

STK556738
Synonyms: methyl(8S,8aR,11aS,11bS)- 10- (3- bromophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1cccc(c1)Br

STK556740
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556741
Synonyms: 1- (2- hydroxyethyl)- 2- imino- 5- oxo- N- (pyridin- 3- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: OCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NCc1cccnc1

STK556742
Synonyms: 2- bromo- N- (1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)benzamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1ccccc1Br

STK556743
Synonyms: (6Z)- 6- [4- (benzyloxy)- 3- chlorobenzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1ccccc1)c1cccnc1

STK556744
Synonyms: 4- [(5Z)- 5- ({3- [3- (benzyloxy)phenyl]- 1- phenyl- 1H- pyrazol- 4- yl}methylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)/C1=O

STK556745
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (diethylamino)phenyl]acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)N(CC)CC

STK556746
Synonyms: ethyl{[3- (4- ethoxyphenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OCC)CCN(C3)C

STK556748
Synonyms: methyl3- {[(2E)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc3c(c1)OCO3)cccc2

STK556749
Synonyms: 2- (benzylsulfanyl)- 6,6- dimethyl- 4- [(3- methylbutyl)sulfanyl]- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CC(CCSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2)C

STK556751
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperazin- 1- yl)methyl]- N'- [(E)- pyridin- 2- ylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CN1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccn1

STK556752
Synonyms: (8S,8aR,11aS,11bS)- 10- (2,4- dichlorophenyl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2

STK556754
Synonyms: 2- imino- 1,10- dimethyl- 5- oxo- N- (pyridin- 3- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1C)NCc1cccnc1

STK556755
Synonyms: (6Z)- 6- {3- chloro- 4- [(4- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccc(cc1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK556756
Synonyms: 8- [(4- ethylpiperazin- 1- yl)methyl]- 1,3- dimethyl- 7- [2- (morpholin- 4- yl)ethyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN1CCN(CC1)Cc1nc2c(n1CCN1CCOCC1)c(=O)n(c(=O)n2C)C

STK556757
Synonyms: (5Z)- 5- {4- [(4- nitrobenzyl)oxy]benzylidene}- 2- (pyrrolidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])N1CCCC1

STK556758
Synonyms: 2- (3- propoxyphenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK556759
Synonyms: (6aR,6bS,9aR,10S)- 8- (2,4- dichlorophenyl)- 10- (furan- 2- ylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK556760
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3,5- dichloro- 2- methoxyphenyl)methylidene]- 5- [(dimethylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1c(/C=N/NC(=O)c2nnn(c2CN(C)C)c2nonc2N)cc(cc1Cl)Cl

STK556761
Synonyms: N- (2,4- difluorophenyl)- 2- {[3- (4- methoxyphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nc2c(c1=O)c1CCCCc1s2

STK556762
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (diethylamino)- 2- hydroxyphenyl]methylidene}- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCN(c1ccc(c(c1)O)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N)CC

STK556763
Synonyms: 7- {[3- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)propyl]amino}- 3- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCCN1CCC3(CC1)OCCO3)c(=O)c1c(c2=O)cccc1

STK556765
Synonyms: 2- (4- chlorophenyl)- 3- [5- (2- ethylphenoxy)pentyl]quinazolin- 4(3H)- one
Smiles: CCc1ccccc1OCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl

STK556767
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (2,5- dimethylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(c(c1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)C

STK556768
Synonyms: ethylN- ({[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK556770
Synonyms: methyl3- ({[4- (2,3- dimethylphenyl)piperazin- 1- yl]acetyl}amino)- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1C)C)ccc(c2)OC

STK556771
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 9- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: CCCn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK556773
Synonyms: 5- (3- chloro- 2- methylphenyl)- 3- (4- hydroxy- 3- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cc(ccc1O)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK556774
Synonyms: N- (3,4- dimethylphenyl)- 2- (4- methylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CN1CCN(CC1)c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK556775
Synonyms: 5- (3- chloro- 2- methylphenyl)- 3- (4- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK556776
Synonyms: (2Z)- 2- [5- (2- chlorobenzyl)- 3- (3,4- dimethylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- 2- cyano- N- (4- methylphenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccc(c(c1)C)C)Cc1ccccc1Cl)/C(=O)Nc1ccc(cc1)C

STK556777
Synonyms: (6E)- 6- ({1- [3- (2,5- dimethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(c(c1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)C

STK556778
Synonyms: N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCCCN1CCOCC1

STK556779
Synonyms: 2- (4- bromophenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: Brc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK556780
Synonyms: N~2~- benzyl- N~4~- (2- methoxyphenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C

STK556782
Synonyms: 3- (2,4- dimethylphenyl)- 2- [(E)- 2- (4- ethylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: CCc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1C)C

STK556783
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2- chlorophenyl)methylidene]- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1Cl

STK556785
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(1E)- 1- (4- methylphenyl)ethylidene]acetohydrazide
Smiles: Cc1ccc(cc1)/C(=N/NC(=O)Cn1nc(cc1C)C)/C

STK556786
Synonyms: (1'R,2'S,4R)- 2,2'- diphenyl- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[1,3- oxazole- 4,3'- pyrrolo[1,2- a]quinolin]- 5- one
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccccc1)N=C(OC2=O)c1ccccc1)c1ccccc1

STK556787
Synonyms: 5,5'- [(4- fluorophenyl)methanediyl]bis(6- hydroxy- 1,3- dimethyl- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one)
Smiles: Fc1ccc(cc1)C(c1c(O)n(C)c(=S)n(c1=O)C)c1c(O)n(C)c(=S)n(c1=O)C

STK556788
Synonyms: N- cyclohexyl- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCSc1nc(NC2CCCCC2)c2c(n1)sc1c2CC(OC1)(C)C

STK556789
Synonyms: (6E)- 6- [4- (diethylamino)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCN(c1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)CC

STK556790
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~- (3- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(Nc2cccc(c2)OC)nc(c1[N+](=O)[O-])N

STK556791
Synonyms: 3- (4- methoxyphenyl)- 1- [(4- phenoxybenzyl)oxy]quinoxalin- 2(1H)- one4- oxide
Smiles: COc1ccc(cc1)c1c(=O)n(OCc2ccc(cc2)Oc2ccccc2)c2c([n+]1[O-])cccc2

STK556792
Synonyms: N- (1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)acetamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)C

STK556793
Synonyms: methyl3- {[3- (4- carbamoylpiperidin- 1- yl)propanoyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C(=O)N)ccc(c2)OC

STK556794
Synonyms: 6,6- dimethyl- 4- (propan- 2- ylsulfanyl)- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SC(C)C)c2c(n1)sc1c2CC(OC1)(C)C

STK556795
Synonyms: 3- (2- chlorophenyl)- 6- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccc1Cl

STK556796
Synonyms: dicyclohexyl{[4- (dimethylamino)phenyl](phenylamino)methyl}phosphonate
Smiles: CN(c1ccc(cc1)C(P(=O)(OC1CCCCC1)OC1CCCCC1)Nc1ccccc1)C

STK556797
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- methoxy- 4- [(2- methylbenzyl)oxy]phenyl}methylidene]- 5- [(4- methylpiperazin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCN(CC2)C)c2nonc2N)ccc1OCc1ccccc1C

STK556798
Synonyms: 2- [(E)- 2- (4- bromophenyl)ethenyl]- 3- (2,4- dimethylphenyl)- 6- iodoquinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1C)C)I

STK556799
Synonyms: 2- (benzylsulfanyl)- 6,6- dimethyl- 4- (morpholin- 4- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)nc(nc1N1CCOCC1)SCc1ccccc1

STK556800
Synonyms: (6E)- 6- {4- [(4- fluorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccc(cc1)F)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK556803
Synonyms: (6Z)- 6- {4- [(3,4- dichlorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556804
Synonyms: 2- methoxy- 6- {4- [(2- phenylethyl)amino]quinazolin- 2- yl}phenol
Smiles: COc1cccc(c1O)c1nc(NCCc2ccccc2)c2c(n1)cccc2

STK556805
Synonyms: N- (1- ethyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)butanamide
Smiles: CCCC(=O)Nc1nn(c2c1cc1ccccc1n2)CC

STK556806
Synonyms: 2- [(E)- {2- [4- (4- methylphenyl)piperazin- 1- yl]- 4- oxo- 1,3- thiazol- 5(4H)- ylidene}methyl]phenylbenzenesulfonate
Smiles: Cc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/S1

STK556808
Synonyms: 3- (4- fluorophenyl)- N- {3- (2- methoxyphenyl)- 3- [4- (propan- 2- yloxy)phenyl]propyl}- 3- phenylpropanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCNC(=O)CC(c1ccc(cc1)F)c1ccccc1

STK556810
Synonyms: N~4~- (4- chlorophenyl)- N~2~- (2- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)Nc1ccccc1F

STK556811
Synonyms: 2- [(E)- 2- (5- bromo- 2- hydroxyphenyl)ethenyl]- 3- (2- chloro- 4- nitrophenyl)quinazolin- 4(3H)- one
Smiles: Brc1ccc(c(c1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])O

STK556812
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- 1- phenylethanone
Smiles: CCCSc1nc(SCC(=O)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC

STK556814
Synonyms: 2- [(1H- benzimidazol- 2- ylmethyl)sulfanyl]- 3- (4- bromophenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Brc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nc2c(c1=O)c1CCCCc1s2

STK556816
Synonyms: N- cyclopentyl- 2- imino- 1- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NC1CCCC1

STK556818
Synonyms: 2- {[5- (benzylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- 1- (4- bromophenyl)ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK556819
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- chlorophenyl)- 8- (furan- 2- ylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)c1ccco1

STK556820
Synonyms: N'- [(E)- (3- bromo- 4- hydroxy- 5- methoxyphenyl)methylidene]- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nccc2C)cc(c1O)Br

STK556821
Synonyms: 6- iodo- 3- (4- methylphenyl)- 2- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)N2CCCCC2)nc2c(c1=O)cc(cc2)I

STK556822
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- N'- [(1E,2E)- 3- phenylprop- 2- en- 1- ylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/C=C/c1ccccc1

STK556823
Synonyms: (6Z)- 6- {3- ethoxy- 4- [(2- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556825
Synonyms: 2- (4- ethylpiperazin- 1- yl)- N- (4- methylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK556826
Synonyms: 2- (benzylsulfanyl)- N- (3- methoxypropyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: COCCCNc1nc(SCc2ccccc2)nc2c1c1CCCCc1s2

STK556829
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556830
Synonyms: 3- {[(E)- (3- chlorophenyl)methylidene]amino}- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1cccc(c1)Cl

STK556832
Synonyms: N'- [2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]- N,N- diethylethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CC(C)(C)SCc2c(n1)N1CCOCC1)CC

STK556833
Synonyms: N- (4- acetylphenyl)- 2- [3- (3- chlorophenyl)- 2,4- dioxo- 3,4,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 1(5H)- yl]acetamide
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)Nc1ccc(cc1)C(=O)C

STK556834
Synonyms: 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK556835
Synonyms: (5E)- 5- {[(2- aminocyclohexyl)amino]methylidene}- 1- hexylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCCCCCN1C(=O)NC(=O)/C(=C\NC2CCCCC2N)/C1=O

STK556837
Synonyms: (2'R,3'R)- 3'- acetyl- 2'- (4- methoxyphenyl)- 2,2- dimethyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2

STK556838
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)N)c2c(n1)sc1c2CC(OC1)(C)C

STK556841
Synonyms: 1- (butylsulfanyl)- 4- (4- chlorophenyl)- 7- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C

STK556842
Synonyms: 3- (4- ethoxyphenyl)- 2- [(4- methoxybenzyl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)OC)nc2c(c1=O)c1CCCCc1s2

STK556845
Synonyms: (6E)- 6- {[1- (3- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK556848
Synonyms: 8- [(2- aminoethyl)amino]- 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: NCCNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C

STK556850
Synonyms: 2- {[5- (4- tert- butylphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- difluorophenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nnc1c1ccc(cc1)C(C)(C)C

STK556851
Synonyms: (6Z)- 5- imino- 6- {[5- (4- nitrophenyl)furan- 2- yl]methylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)[N+](=O)[O-])/C2=N)s1

STK556852
Synonyms: (5Z)- 5- {[5- (2,5- dichlorophenyl)furan- 2- yl]methylidene}- 2- (4- propoxyphenyl)[1,3]thiazolo[3,2- b][1,2,4]triazol- 6(5H)- one
Smiles: CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(o1)c1cc(Cl)ccc1Cl)/c2=O

STK556854
Synonyms: 5- benzyl- 2- phenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2ON(C(C2C(=O)N1Cc1ccccc1)c1ccncc1)c1ccccc1

STK556855
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [2- (4- methylphenoxy)ethoxy]benzylidene}- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556857
Synonyms: 2- (benzylsulfanyl)- 3- (4- chlorophenyl)- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccccc1)c1ccc(cc1)Cl

STK556858
Synonyms: 5- (4- bromophenyl)- 3- (2- chloroquinolin- 3- yl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl

STK556859
Synonyms: (5Z)- 5- {[3- (3- butoxyphenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 3- (2- methoxyethyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCOC)c1ccccc1

STK556860
Synonyms: 10- ethyl- 10- methyl- 3- [(3- methylbutyl)sulfanyl]- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCCC(C)C)nn2)CC(OC3)(C)CC

STK556862
Synonyms: (6Z)- 5- imino- 6- [4- (2- phenoxyethoxy)benzylidene]- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccccc1)c1cccnc1

STK556863
Synonyms: 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK556864
Synonyms: 2- methyl- 7- {[3- (4- methylpiperazin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CN1CCN(CC1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK556865
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- N'- [(E)- (2- methoxyphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N

STK556866
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (2- methylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCOc1ccccc1C)c1cccnc1

STK556867
Synonyms: (6E)- 5- imino- 6- ({1- [2- (2- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3ccccc3C)/C2=N)s1

STK556868
Synonyms: 6- (4- tert- butylphenyl)- 3- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nn2c(s1)nnc2COc1ccccc1)(C)C

STK556870
Synonyms: 2- [(3- methylphenoxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: Cc1cccc(c1)OCc1nc2n(n1)cnc1c2C2(CCCC2)Cc2c1cccc2

STK556871
Synonyms: N~2~- [3- (dimethylamino)propyl]- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: CN(CCCNc1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-])C

STK556872
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(4- nitrobenzyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

STK556875
Synonyms: 5- (2,4- dimethylphenyl)- 2- phenyl- 3- (thiophen- 2- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccs1

STK556876
Synonyms: (2Z)- 2- cyano- 2- [3- (3- methoxyphenyl)- 5- (3- methylbenzyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1cccc(c1)OC)Cc1cccc(c1)C)/C(=O)N

STK556881
Synonyms: 3- ethoxy- 2- (ethylsulfanyl)quinazolin- 4(3H)- one
Smiles: CCOn1c(SCC)nc2c(c1=O)cccc2

STK556883
Synonyms: 7- {[3- (3,4- dihydroisoquinolin- 2(1H)- yl)propyl]amino}- 2- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCc2c(C1)cccc2

STK556884
Synonyms: 3- heptyl- 8,8- dimethyl- 2- propyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CCCCCCC)(C)C

STK556885
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556886
Synonyms: 8- [(4- ethylpiperazin- 1- yl)methyl]- 1,3- dimethyl- 7- (3- oxobutan- 2- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN1CCN(CC1)Cc1nc2c(n1C(C(=O)C)C)c(=O)n(c(=O)n2C)C

STK556887
Synonyms: 2- (4- ethylpiperazin- 1- yl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]

STK556888
Synonyms: 5- (4- bromophenyl)- 3- (3- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)Cl

STK556889
Synonyms: N- (6- methyl- 1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)butanamide
Smiles: CCCn1nc(c2c1nc1ccc(cc1c2)C)NC(=O)CCC

STK556892
Synonyms: 6- (4- ethylpiperazin- 1- yl)- N~2~- (4- methoxyphenyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(cc2)OC)nc(c1[N+](=O)[O-])N

STK556893
Synonyms: 5- (4- chlorophenyl)- 3- (2- methylpropyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)CC(C)C

STK556896
Synonyms: 1- [4- (2,5- dimethylphenyl)- 3'- (3- nitrophenyl)- 2- phenyl- 2H,3'H- spiro[phthalazine- 1,2'- [1,3,4]thiadiazol]- 5'- yl]ethanone
Smiles: Cc1ccc(c(c1)C1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1cccc(c1)[N+](=O)[O-])C(=O)C)C

STK556898
Synonyms: N- (4- chlorophenyl)- 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)Cl)nn2)CC(OC3)(C)CC

STK556899
Synonyms: 7- methoxy- 4- (3- methylpiperidin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCCC(C1)C

STK556901
Synonyms: N- carbamimidoyl- 4- ({(E)- 2- cyano- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/C#N

STK556902
Synonyms: 6- (4- bromophenyl)- 3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)Br

STK556903
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- ethyl- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK556904
Synonyms: 6- (biphenyl- 4- yl)- 3- (3- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK556905
Synonyms: (6Z)- 6- {3- chloro- 4- [(2,6- dichlorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1c(Cl)cccc1Cl)c1cccnc1

STK556906
Synonyms: (6Z)- 6- {3- bromo- 4- [(3- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)COc1ccc(cc1Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556907
Synonyms: (6Z)- 5- imino- 6- [4- (naphthalen- 1- ylmethoxy)benzylidene]- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3cccc4c3cccc4)/C2=N)s1

STK556908
Synonyms: N- (4- chlorophenyl)- 2- [(4- oxo- 3- phenyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK556910
Synonyms: N~2~- cyclohexyl- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NC1CCCCC1

STK556911
Synonyms: N- [4- (benzyloxy)phenyl]- 3- [4- (cyanomethyl)piperazin- 1- yl]propanamide
Smiles: N#CCN1CCN(CC1)CCC(=O)Nc1ccc(cc1)OCc1ccccc1

STK556913
Synonyms: 7- (3,4- dimethoxyphenyl)- 8- (2- methoxyphenyl)- 1,3- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1cc(ccc1OC)c1cn2c(n1c1ccccc1OC)nc1c2c(=O)n(C)c(=O)n1C

STK556915
Synonyms: 3- methyl- N- (1- propyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)butanamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)CC(C)C

STK556916
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (5- chloro- 2- methylphenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556918
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (4- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK556920
Synonyms: N- (4- acetylphenyl)- 2- {[3- (4- chlorophenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCN(C3)C

STK556921
Synonyms: 5- [(2,4- dichlorobenzyl)sulfanyl]- 7,7- dimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2nnnn2c2c1c1CC(C)(C)OCc1s2

STK556922
Synonyms: 3- (2,4- dichlorophenyl)- 7- (4- fluorophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Fc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1Cl)Cl

STK556923
Synonyms: 8- amino- 3- benzylbenzo[g]pteridine- 2,4(1H,3H)- dione
Smiles: Nc1ccc2c(c1)nc1c(n2)c(=O)n(c(=O)[nH]1)Cc1ccccc1

STK556924
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: CC(Cn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C

STK556926
Synonyms: ethylN- ({[4- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK556927
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- N'- [(E)- pyridin- 4- ylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccncc1

STK556928
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 6- (naphthalen- 1- yl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2

STK556929
Synonyms: 3- (3- ethoxyphenyl)- 6- (4- fluorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)F

STK556930
Synonyms: 3- (4- chlorophenyl)- 1- (2- oxo- 2- phenylethyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1ccc(cc1)n1c(=O)n(CC(=O)c2ccccc2)c2c(c1=O)c1CCCCc1s2

STK556931
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~- (2- methoxyethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COCCNc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]

STK556932
Synonyms: 2- (4- chlorophenyl)- N'- {(E)- [4- (methylsulfanyl)phenyl]methylidene}quinoline- 4- carbohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)Cl

STK556933
Synonyms: N- [bis(4- chlorophenyl)methyl]- 2,2,2- trifluoroacetamide
Smiles: O=C(C(F)(F)F)NC(c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK556934
Synonyms: 2- {[3- (4- ethoxyphenyl)- 6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK556935
Synonyms: 2- {4- [cyclohexyl(ethyl)amino]quinazolin- 2- yl}phenol
Smiles: CCN(c1nc(nc2c1cccc2)c1ccccc1O)C1CCCCC1

STK556936
Synonyms: 2- [(4- ethyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]- N- (naphthalen- 1- yl)acetamide
Smiles: CCn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)Nc1cccc2c1cccc2

STK556937
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK556938
Synonyms: 2- {[3- (4- ethoxyphenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)c1CCN(Cc1s2)C

STK556939
Synonyms: 3- (4- benzylpiperazin- 1- yl)- N- (3- bromophenyl)propanamide
Smiles: O=C(Nc1cccc(c1)Br)CCN1CCN(CC1)Cc1ccccc1

STK556940
Synonyms: 5- (2,6- dichlorophenyl)- 3- (2- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1

STK556941
Synonyms: 2- ({[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: Cc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1ccncc1

STK556943
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2,6- dichlorophenyl)methylidene]- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1c(Cl)cccc1Cl

STK556944
Synonyms: 2- (4- ethylpiperazin- 1- yl)- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]

STK556948
Synonyms: (2Z)- 2- cyano- 2- [(5E)- 5- (2,3- dimethoxybenzylidene)- 3- (4- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- (3- methylphenyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2cccc(c2OC)OC)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C

STK556950
Synonyms: 6- iodo- 3- (4- methoxyphenyl)- 2- (pentylsulfanyl)quinazolin- 4(3H)- one
Smiles: CCCCCSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)OC)I

STK556951
Synonyms: 4- {[(6aS,6bR,9aS,10R)- 7,9- dioxo- 8- (2- phenylethyl)- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinolin- 10- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1c1ccccc1C=C2)CCc1ccccc1

STK556952
Synonyms: N- (3- methoxypropyl)- 2,2- dimethyl- 5- (pyrrolidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK556953
Synonyms: 6- cyclohexyl- 3- (pyridin- 4- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: C1CCC(CC1)c1nn2c(s1)nnc2c1ccncc1

STK556954
Synonyms: 2- amino- N- butyl- 1- (prop- 2- en- 1- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: C=CCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCCC

STK556956
Synonyms: 3- [6- (4- tert- butylphenoxy)hexyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(cc1)C(C)(C)C

STK556958
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1ccccc1Cl

STK556960
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (5- phenyl- 1H- pyrazol- 4- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cn[nH]c1c1ccccc1

STK556961
Synonyms: 5- (4- bromophenyl)- 3- (2- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1Cl

STK556964
Synonyms: 4- [(4- chlorobenzyl)sulfanyl]- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK556965
Synonyms: N- (4- chloro- 2- nitrophenyl)- 7,7- dimethyl- 2- oxo- 1,8- dioxaspiro[4.5]decane- 4- carboxamide
Smiles: O=C1CC(C2(O1)CCOC(C2)(C)C)C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl

STK556967
Synonyms: N- benzyl- 2- {[3- (4- ethoxyphenyl)- 6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK556968
Synonyms: (8S,8aR,11aS,11bS)- 10- cyclohexyl- 8- (phenylcarbonyl)- 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]2[C@@H]2N1C=Cc1c2cccc1)C1CCCCC1)c1ccccc1

STK556969
Synonyms: N- [5- (N,N- diethylglycyl)- 10,11- dihydro- 5H- dibenzo[b,f]azepin- 3- yl]- 3,4,5- trimethoxybenzamide
Smiles: CCN(CC(=O)N1c2cc(ccc2CCc2c1cccc2)NC(=O)c1cc(OC)c(c(c1)OC)OC)CC

STK556970
Synonyms: (4aS,4bR,7aS,8R)- 8- (2,2- dimethylpropanoyl)- 6- (4- nitrophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C

STK556972
Synonyms: 3- (4- ethoxyphenyl)- 6- (3- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cccc(c1)C

STK556973
Synonyms: 4- [(2,4- dichlorobenzyl)sulfanyl]- 2,8,8- trimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CSc1nc(C)nc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK556975
Synonyms: 2- oxo- N- (pyridin- 3- ylmethyl)- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)NCc1cccnc1

STK556976
Synonyms: (6aS,6bR,9aS,10R)- 8- (4- chlorophenyl)- N- (2,5- dimethoxyphenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)Cl)C=Cc1c2cccc1)OC

STK556978
Synonyms: 3- [(3- chlorobenzyl)oxy]- 2- [(3- chlorobenzyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Clc1cccc(c1)CSc1nc2ccccc2c(=O)n1OCc1cccc(c1)Cl

STK556979
Synonyms: 3- (3- chlorophenyl)- 6- cyclohexyl[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)C1CCCCC1

STK556981
Synonyms: 3- (2,5- dimethoxyphenyl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(OC)ccc1OC

STK556982
Synonyms: N~1~- {(E)- [3- methoxy- 4- (propan- 2- yloxy)phenyl]methylidene}- 1H- tetrazole- 1,5- diamine
Smiles: COc1cc(ccc1OC(C)C)/C=N/n1nnnc1N

STK556983
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [(4- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK556985
Synonyms: 3- (2,5- dimethoxyphenyl)- 5- (3- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(c(c1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1)OC

STK556986
Synonyms: 2- [(4- amino- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc(N)c2c(n1)nc1c(c2)CCCC1

STK556988
Synonyms: 5- (2,6- dimethylphenyl)- 2- phenyl- 3- propyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1c(C)cccc1C)c1ccccc1

STK556990
Synonyms: 10,10- dimethyl- 3- [(2- phenylethyl)sulfanyl]- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 5- amine
Smiles: Nc1nc2sc3c(c2c2n1c(SCCc1ccccc1)nn2)CC(OC3)(C)C

STK556991
Synonyms: 4- [3- (2- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccccc1Cl

STK556992
Synonyms: methyl(8S,8aR,11aS,11bS)- 10- (2- fluorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxylate
Smiles: COC(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3

STK556993
Synonyms: (6aR,6bS,9aR,10S)- 8- [4- chloro- 3- (trifluoromethyl)phenyl]- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(c2ccc(c(c2)C(F)(F)F)Cl)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3

STK556995
Synonyms: N- {[4- (benzyloxy)phenyl](cyano)methyl}- 2- chloro- N- (4- methoxyphenyl)acetamide
Smiles: N#CC(N(c1ccc(cc1)OC)C(=O)CCl)c1ccc(cc1)OCc1ccccc1

STK556996
Synonyms: 3- (3- chlorophenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK556998
Synonyms: 2- methyl- 11- {[(E)- (3- methylphenyl)methylidene]amino}- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1cccc(c1)/C=N/n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK556999
Synonyms: 3- [6- (2,3- dimethylphenoxy)hexyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1cccc(c1C)C

STK557000
Synonyms: 8- [(2E)- 2- (2- chloro- 6- fluorobenzylidene)hydrazinyl]- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2c(F)cccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

STK557001
Synonyms: 7- (4- chlorobenzyl)- 8- [(4- chlorobenzyl)sulfanyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK557002
Synonyms: N- (2,5- dimethoxyphenyl)- 2- (3,5- dimethylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C)OC

STK557004
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (2- chlorophenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCOc1ccccc1Cl)c1cccnc1

STK557005
Synonyms: 10- ethyl- 10- methyl- 5- (methylsulfanyl)- 3- [(4- nitrobenzyl)sulfanyl]- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCc1ccc(cc1)[N+](=O)[O-])SC

STK557006
Synonyms: methyl{[4- (4- chlorophenyl)- 7- methyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C

STK557007
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (2- methyl- 5- nitrophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-]

STK557008
Synonyms: N- (4- chlorophenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK557009
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc(c1)Oc1ccccc1

STK557010
Synonyms: (6aR,6bS,9aR,10S)- 10- (furan- 2- ylcarbonyl)- 8- (naphthalen- 1- yl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)c1ccco1

STK557011
Synonyms: 2- amino- 1- [2- (2- fluorophenyl)ethyl]- N- pentyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1F

STK557012
Synonyms: ethyl3- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- 2- oxopropanoate
Smiles: CCOC(=O)C(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557013
Synonyms: 2- (3- butoxyphenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCCCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK557014
Synonyms: 2- [(5- amino- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1

STK557015
Synonyms: (4aS,4bR,7aS,8R)- 8- (2,2- dimethylpropanoyl)- 6- (naphthalen- 2- yl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C

STK557016
Synonyms: 5- (4- bromophenyl)- 3- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK557017
Synonyms: (2Z)- 2- (1H- benzimidazol- 2- yl)- 3- (3- {3- [(4- chlorobenzyl)oxy]phenyl}- 1- phenyl- 1H- pyrazol- 4- yl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1cccc(c1)OCc1ccc(cc1)Cl)c1ccccc1)/c1nc2c([nH]1)cccc2

STK557018
Synonyms: N- (1- butyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)- 2- methylpropanamide
Smiles: CCCCn1nc(c2c1nc1ccccc1c2)NC(=O)C(C)C

STK557019
Synonyms: 6- [(5Z)- 5- {[3- (3- ethoxyphenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]hexanoicacid
Smiles: CCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O)c1ccccc1

STK557020
Synonyms: 4- benzyl- 6,6- diethyl- 1- (propylsulfanyl)- 6,7- dihydrobenzo[h][1,2,4]triazolo[4,3- a]quinazolin- 5(4H)- one
Smiles: CCCSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(CC)CC

STK557022
Synonyms: 7- (2- cyclohexylethyl)- 1,3- dimethyl- 5,5- bis(trifluoromethyl)- 5,8- dihydropyrimido[4,5- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: O=c1n(C)c2NC(=NC(c2c(=O)n1C)(C(F)(F)F)C(F)(F)F)CCC1CCCCC1

STK557026
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- 1- (morpholin- 4- yl)propan- 1- one
Smiles: O=C(C(Sc1nc(nc2c1COC(C2)(C)C)c1ccccc1)C)N1CCOCC1

STK557027
Synonyms: 2- {[5- (3- bromophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- methoxy- 4- propoxyphenyl)methylidene]acetohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Br

STK557028
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (4- methylphenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/c1ccc(cc1)C)\C

STK557029
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- (2- methyl- 4- nitrophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C)[N+](=O)[O-]

STK557030
Synonyms: 4- benzyl- 6- ethyl- 6- methyl- 1- sulfanyl- 6,7- dihydrobenzo[h][1,2,4]triazolo[4,3- a]quinazolin- 5(4H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c1n2c(S)nn1)Cc1ccccc1

STK557031
Synonyms: 7- {[3- (3,3- dimethylpiperidin- 1- yl)propyl]amino}- 2- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCCC(C1)(C)C

STK557032
Synonyms: N~4~- (2- fluorophenyl)- N~2~- methyl- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1F)N(c1ccccc1)C

STK557033
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- [(4- methylbenzyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK557034
Synonyms: 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1cccc(c1)Oc1ccccc1

STK557036
Synonyms: N,N- diethyl- 4- [3- (pyridin- 3- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1cccnc1)CC

STK557038
Synonyms: 1,3- dimethyl- 8- (3- methylphenyl)- 7- (4- nitrophenyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Cc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)[N+](=O)[O-]

STK557039
Synonyms: (2Z)- 2- [5- (3- chloro- 4- methylbenzyl)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- 2- cyano- N- (3- methylphenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1C)Cc1ccc(c(c1)Cl)C)/C(=O)Nc1cccc(c1)C

STK557040
Synonyms: (6Z)- 6- {[5- (3- chloro- 4- methylphenyl)furan- 2- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(c(c3)Cl)C)/C2=N)s1

STK557041
Synonyms: (6E)- 6- {[1- (4- fluorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK557042
Synonyms: 3- (2- chloroquinolin- 3- yl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl

STK557043
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2,4- dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br

STK557044
Synonyms: methyl(8S,8aR,11aS,11bS)- 10- (3- nitrophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-]

STK557045
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 2- [4- (4- methylphenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: Cc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C/c2ccccc2Cl)/S1

STK557046
Synonyms: 3- methyl- 8,10- diphenyl- 10,11- dihydro- 8H- thiopyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1nnc2n1cnc1c2c2CC(SC(c2s1)c1ccccc1)c1ccccc1

STK557049
Synonyms: (6E)- 6- {[1- (2,5- dimethoxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccc(cc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1)OC

STK557050
Synonyms: methyl(8S,8aR,11aS,11bS)- 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- carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1cccc(c1)Cl

STK557051
Synonyms: N- (3- chlorophenyl)- 2- [3- (4- chlorophenyl)- 2,4- dioxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 1(2H)- yl]acetamide
Smiles: Clc1ccc(cc1)n1c(=O)n(CC(=O)Nc2cccc(c2)Cl)c2c(c1=O)c1CCCCc1s2