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114 SMILES Strings for Adenosine Kinase (AK)

Compound NameSMILES String
BDBM14488 CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM14489 CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccccc1
BDBM14490 CN(C)c1ccc(cc1)C#Cc1nc(C)nc(N)c1-c1ccccc1
BDBM14491 CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc2OCOc2c1
BDBM14492 Nc1cc(ncn1)C#Cc1ccc(nc1)N1CCOCC1
BDBM14493 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1Cc1ccccc1
BDBM14494 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccccc1
BDBM14486 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r|
BDBM50010685 Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
BDBM50090895 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(Nc3ccc(F)cc3)ncnc12
BDBM50090850 NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50094703 Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095389 Nc1ncnc2nc(cc(-c3cc(Cl)ccc3Cl)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095382 CN(C)c1ccc(cc1)-c1ccc2c(N)ncnc2n1
BDBM50095388 CN(C)c1ccc(cc1)-c1cnc2c(N)ncnc2n1
BDBM50095358 CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
BDBM50095359 CC(c1ccccc1Br)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095360 Nc1ncnc2nc(cc(-c3ccsc3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095361 CCCCc1cc(nc2ncnc(N)c12)-c1ccc(cc1)N(C)C
BDBM50095362 Nc1ncnc2nc(cc(-c3ccccc3Br)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095363 CN(C)c1ccc(cc1)-c1cc(-c2cccc(I)c2)c2c(N)ncnc2n1
BDBM50095364 CCC(CC)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095365 CN(C)c1ccc(cc1)-c1cc(-c2cccc(c2)C(N)=O)c2c(N)ncnc2n1
BDBM50095366 Nc1ncnc2nc(cc(Cc3ccccc3Br)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095367 CC1CCCC(C1C)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095368 Nc1ncnc2nc(cc(-c3cccnc3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095369 COc1cccc(c1)-c1cc(nc2ncnc(N)c12)-c1ccc(cc1)N(C)C
BDBM50095370 CN(C)c1ccc(cc1)-c1cc(-c2cccc(c2)C#N)c2c(N)ncnc2n1
BDBM50095371 CN(C)c1ccc(cc1)-c1cc(-c2cccc(Cl)c2)c2c(N)ncnc2n1
BDBM50095372 CN(C)c1ccc(cc1)-c1cc(C2CCCCC2)c2c(N)ncnc2n1
BDBM50095373 Nc1ncnc2nc(cc(-c3cccc(Cl)c3Cl)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095374 Nc1ncnc2nc(cc(-c3ccc(Br)cc3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095375 CN(C)c1ccc(cc1)-c1cc(-c2cccc(O)c2)c2c(N)ncnc2n1
BDBM50095376 CN(C)c1ccc(cc1)-c1cc(-c2cccc(c2)C(F)(F)F)c2c(N)ncnc2n1
BDBM50095377 Nc1ncnc2nc(cc(C3CCCC3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095378 Nc1ncnc2nc(cc(-c3cccc(Cl)c3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095379 Nc1ncnc2nc(cc(C3CCCCC3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095380 Nc1ncnc2nc(cc(-c3ccco3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095381 CN(C)c1ccc(cc1)-c1cc(C)c2c(N)ncnc2n1
BDBM50095383 CC(C)(C=C)c1cc(nc2ncnc(N)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095384 CN(C)c1ccc(cc1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1
BDBM50095385 Nc1ncnc2nc(ccc12)-c1ccc(nc1)N1CCOCC1
BDBM50095386 Nc1ncnc2nc(cc(C3CCOCC3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095387 CN(C)c1ccc(cc1)-c1cc(C2CC2)c2c(N)ncnc2n1
BDBM50100581 COc1ccc(cc1)-c1cnc2c(N)ncnc2n1
BDBM50100582 Nc1ncnc2nc(cnc12)-c1ccccc1
BDBM50100585 Nc1ncnc2nc(cnc12)-c1ccc(cc1)[N+]([O-])=O
BDBM50100587 Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+]([O-])=O
BDBM50100588 CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccc(cc1)C(C)(C)C
BDBM50100589 Nc1ccc(cc1)-c1cnc2c(N)ncnc2n1
BDBM50100580 CN(C)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1
BDBM50100583 COc1ccc(cc1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
BDBM50100584 CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2nc1-c1ccccc1
BDBM50100590 Nc1ncnc2nc(cnc12)-c1ccc(cc1)N1CCOCC1
BDBM50100591 CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccc(C)cc1
BDBM50100586 COC(=O)c1cccc(c1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
BDBM50104162 C[C@H]1O[C@@H](Nc2ncnc(N)c2[N+]([O-])=O)[C@H](O)[C@@H]1O
BDBM50104164 COC(=O)c1cncnc1N[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O
BDBM50104165 COC(=O)c1c(N)ncnc1N[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
BDBM50104166 NC[C@H]1O[C@@H](Nc2ncnc(N)c2[N+]([O-])=O)[C@H](O)[C@@H]1O
BDBM50104161 COC(=O)c1c(Cl)ncnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50104173 COC(=O)c1cncnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50104163 Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1C1=NCCO1 |t:19|
BDBM50104167 COC(=O)c1c(N)ncnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50104168 COC(=O)c1c(N)ncnc1N[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O
BDBM50104169 Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1S(=O)(=O)c1ccccc1
BDBM50104170 OC[C@H]1O[C@@H](Nc2ncnc(Nc3ccccc3)c2[N+]([O-])=O)[C@H](O)[C@@H]1O
BDBM50104171 Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1C(=O)NCCO
BDBM50104172 Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1S(=O)c1ccccc1
BDBM50104160 Nc1ncnc(N[C@@H]2O[C@H](CBr)[C@@H](O)[C@H]2O)c1[N+]([O-])=O
BDBM50117154 COc1ccc(CCCc2c(N)ncnc2C#Cc2ccc(nc2)N2CCOCC2)cc1
BDBM50117155 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccncc1
BDBM50117156 CN(Cc1ccc2ccccc2c1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117157 CN(Cc1ccccc1C(F)(F)F)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117158 CN(Cc1ccc(Cl)c(Cl)c1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117159 CN(Cc1ccc(Cl)cc1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117160 CN(Cc1ccccc1Cl)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117161 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CN1CCc2ccccc2C1
BDBM50117162 CN(Cc1ccccc1C)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117163 CN(c1cccc(Br)c1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117164 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1cccc(Br)c1
BDBM50117165 CN(Cc1ccccc1)Cc1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117166 CN(Cc1ccccc1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117167 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1Cc1cccc(Br)c1
BDBM50117168 CN(Cc1cccc(Br)c1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117169 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccc(Br)cc1
BDBM50117170 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCc1ccccc1
BDBM50117171 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1cccnc1
BDBM50117172 CN(Cc1ccc(Br)cc1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117173 CN(Cc1ccccc1Cl)Cc1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117174 CN(Cc1cccc(Cl)c1)c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
BDBM50117175 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccccc1Cl
BDBM50117176 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCCc1ccccc1
BDBM50135890 CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cc(Br)cs2)c1C1CC1
BDBM50135891 COC(=O)Cc1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1cccs1
BDBM50135892 Clc1ccc(cc1)-c1cnc2c(ncnc2n1)N1CCOCC1
BDBM50135893 CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cccc(Cl)c2)c1-c1ccccc1
BDBM50135894 Cc1ccc(cc1F)-c1c(nc2ncnc(N)c2c1-c1ccc(C)c(F)c1)-c1cccs1
BDBM50135895 CCCCCc1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1ccc(nc1)N(C)C
BDBM50135896 CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2ccccc2)c1-c1ccccc1
BDBM50135897 Nc1ncnc2nc(-c3ccc(nc3)N3CCOCC3)c(-c3ccccc3)c(-c3cccc(Br)c3)c12
BDBM50135898 CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2ccccc2)c1-c1ccccc1
BDBM50135899 COc1ccc(cc1OC)-c1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1ccc(cc1)N(C)C
BDBM50135900 Nc1ncnc2nc(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c12
BDBM50135901 CN(C)c1ccc(cn1)-c1nc2ncnc(N)c2c(-c2cccc(Br)c2)c1C1CCCCC1
BDBM50135902 Nc1ncnc2nc(-c3ccc(nc3)N3CCOCC3)c(Cc3ccccc3)c(-c3cccc(Br)c3)c12
BDBM50135903 CC(C)c1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1ccc(nc1)N1CCOCC1
BDBM50135904 CC(C)c1ccc(cc1)-c1c(nc2ncnc(N)c2c1-c1ccc(cc1)C(C)C)-c1ccc(cc1)N(C)C
BDBM50135905 COc1ccc(cc1OC)-c1c(nc2ncnc(N)c2c1-c1cc(Br)cs1)-c1cccs1
BDBM50135906 CN(C)c1ccc(cc1)-c1c(nc2ncnc(N)c2c1-c1cccc(Cl)c1)-c1ccc(nc1)N1CCOCC1
BDBM50135907 CN(C)c1ccc(cc1)-c1nc2ncnc(N)c2cc1-c1ccccc1
BDBM50135888 COCCN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2cc(Br)cs2)c1-c1ccc(OC)c(OC)c1
BDBM50135889 Nc1ncnc2nc(-c3ccc(nc3)N3CCOCC3)c(-c3ccc(F)cc3)c(-c3cccc(Br)c3)c12
BDBM50133817 CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1