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83 SMILES Strings for 6-O-methylguanine-DNA methyltransferase

Compound NameSMILES String
BDBM5487 Nc1nc(OCC2CCC=CC2)c2[nH]cnc2n1 |c:9|
BDBM5491 Nc1nc(OCc2ccccc2)c2[nH]cnc2n1
BDBM5496 Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1
BDBM5501 CCOC(C)(COc1nc(N)nc2nc[nH]c12)OCC
BDBM5461 CCCOc1nc(N)nc2nc[nH]c12
BDBM5502 CCC(COc1nc(N)nc2nc[nH]c12)(OC)OC
BDBM5462 CCCCOc1nc(N)nc2nc[nH]c12
BDBM5463 CCCCCOc1nc(N)nc2nc[nH]c12
BDBM5464 CCCCCCCOc1nc(N)nc2nc[nH]c12
BDBM5469 CC(C)CCOc1nc(N)nc2nc[nH]c12
BDBM5470 COc1nc(N)nc2nc[nH]c12
BDBM5573 Nc1nc(N)c(N=O)c(OCc2ccccc2)n1
BDBM5471 CCOc1nc(N)nc2nc[nH]c12
BDBM5472 Nc1nc(OCC#C)c2[nH]cnc2n1
BDBM5475 Nc1nc(OCC=C)c2[nH]cnc2n1
BDBM5476 CC(=C)COc1nc(N)nc2nc[nH]c12
BDBM5477 CCC(=C)COc1nc(N)nc2nc[nH]c12
BDBM5478 CC(C)C(=C)COc1nc(N)nc2nc[nH]c12
BDBM5479 Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1
BDBM5481 CC(=O)COc1nc(N)nc2nc[nH]c12
BDBM5482 CC(C)C(=O)COc1nc(N)nc2nc[nH]c12
BDBM5483 Nc1nc(OCC2CCCC2)c2[nH]cnc2n1
BDBM5484 Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6|
BDBM5485 Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
BDBM5486 Nc1nc(OCC2=CCCCC2)c2[nH]cnc2n1 |t:6|
BDBM50062813 Nc1nc(N)c(c(OCc2ccccc2)n1)[N+]([O-])=O
BDBM50062814 Nc1nc(N)c(c(OCc2ccccn2)n1)[N+]([O-])=O
BDBM50062815 Nc1nc(N)c(c(OCc2ccc(F)cc2)n1)[N+]([O-])=O
BDBM50062816 Nc1nc(N)c(N=O)c(OCc2ccncc2)n1
BDBM50062817 Nc1nc(N)c(c(OCc2cccc(F)c2)n1)[N+]([O-])=O
BDBM50062818 Nc1nc(N)c(c(OCc2ccncc2)n1)[N+]([O-])=O
BDBM50062819 Nc1nc(N)c(c(OCc2cccnc2)n1)[N+]([O-])=O
BDBM50062821 Nc1cc(OCc2ccccc2)nc(N)n1
BDBM50062822 Nc1nc(N)c(c(OCc2ccccc2F)n1)[N+]([O-])=O
BDBM50062823 Nc1nc(N)c(N=O)c(OCc2ccc(F)cc2)n1
BDBM50068780 NC1=Nc2nc[nH]c2C(N1)OCc1ccncc1 |t:1|
BDBM50068781 NC1=Nc2nc[nH]c2C(N1)OCc1cnco1 |t:1|
BDBM50068782 NC1=Nc2nc[nH]c2C(N1)OCc1ccccn1 |t:1|
BDBM50068783 NC1=Nc2nc[nH]c2C(N1)OCc1ccco1 |t:1|
BDBM50068784 NC1=Nc2nc[nH]c2C(N1)OCc1cnsc1 |t:1|
BDBM50068785 NC1=Nc2nc[nH]c2C(N1)OCc1cncs1 |t:1|
BDBM50068786 NC1=Nc2nc[nH]c2C(N1)OCc1ccnc(Cl)c1 |t:1|
BDBM50068787 Cn1cncc1COC1NC(N)=Nc2nc[nH]c12 |c:12|
BDBM50068788 NC1=Nc2nc[nH]c2C(N1)OCc1cncc(Br)c1 |t:1|
BDBM50068789 NC1=Nc2nc[nH]c2C(N1)OCc1cnc2OCOc2c1 |t:1|
BDBM50068790 NC1=Nc2nc[nH]c2C(N1)OCc1ccc[n+]([O-])c1 |t:1|
BDBM50068791 NC1=Nc2nc[nH]c2C(N1)OCc1cccnc1 |t:1|
BDBM50068792 NC1=Nc2nc[nH]c2C(N1)OCc1cccs1 |t:1|
BDBM50068793 NC1=Nc2nc[nH]c2C(N1)OCc1ccc(Cl)nc1 |t:1|
BDBM50068794 NC1=Nc2nc[nH]c2C(N1)OCc1ccc(Br)s1 |t:1|
BDBM50093325 CCC(=O)COc1nc(N)nc2nc[nH]c12
BDBM50093328 Nc1nc(OCC2=CCC2)c2[nH]cnc2n1 |t:6|
BDBM50093331 Nc1nc(OCC(=O)c2ccccc2)c2[nH]cnc2n1
BDBM50093336 Nc1nc(Oc2cccs2)c2[nH]cnc2n1
BDBM50093340 Nc1nc(OCC2CCC2)c2[nH]cnc2n1
BDBM50093343 CCCCCCOc1nc(N)nc2nc[nH]c12
BDBM50093345 COC(COc1nc(N)nc2nc[nH]c12)(OC)c1ccccc1
BDBM50093347 CC\C=C/CCOc1nc(N)nc2nc[nH]c12
BDBM50106509 Nc1nc(OCc2cc(Br)cs2)c2ncn(CCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1
BDBM50106510 Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1
BDBM50106511 Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1
BDBM50106512 Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1
BDBM50106513 Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1
BDBM50106514 Nc1nc(OCc2cc(Br)cs2)c2ncn(CC#CCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1
BDBM50106515 Nc1nc(OCc2ccccc2)c2[nH]nnc2n1
BDBM50106516 Nc1nc(OCc2ccccc2)c2ncn(CCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1
BDBM50106517 Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1
BDBM50106518 Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1
BDBM50106519 Nc1nc(OCc2ccccc2)c2nnn(CCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1
BDBM50241513 CC(=C)[C@@H]1CCC(COc2nc(N)nc3nc[nH]c23)=CC1 |c:20|
BDBM50241514 CC1(C)OCC(COc2nc(N)nc3nc[nH]c23)O1
BDBM50338477 Nc1nc(N)c(c(OCc2cc(Br)cs2)n1)[N+]([O-])=O
BDBM50338478 Nc1nc(OCc2cc(Br)cs2)c(c(n1)N1CCOCC1)[N+]([O-])=O
BDBM50338479 Nc1nc(OCc2ccccc2)c(c(n1)N1CCOCC1)[N+]([O-])=O
BDBM50338480 Nc1ccc(Cc2ccc(Nc3nc(N)nc(OCc4cc(Br)cs4)c3[N+]([O-])=O)cc2)cc1
BDBM50338481 Nc1ccc(Nc2ccc(Nc3nc(N)nc(OCc4cc(Br)cs4)c3[N+]([O-])=O)cc2)cc1
BDBM50338482 Nc1ccc(Oc2ccc(Nc3nc(N)nc(OCc4cc(Br)cs4)c3[N+]([O-])=O)cc2)cc1
BDBM50338483 Nc1ccc(cc1)C(=O)c1ccc(Nc2nc(N)nc(OCc3cc(Br)cs3)c2[N+]([O-])=O)cc1
BDBM50338484 Nc1ccc(Oc2ccc(Nc3nc(N)nc(OCc4ccccc4)c3[N+]([O-])=O)cc2)cc1
BDBM50338485 Nc1ccc(cc1)C(=O)c1ccc(Nc2nc(N)nc(OCc3ccccc3)c2[N+]([O-])=O)cc1
BDBM50397043 CC(=O)NCc1cccc(COc2nc(N)nc3nc[nH]c23)c1
BDBM50397044 CN(C)Cc1cccc(COc2nc(N)nc3nc[nH]c23)c1
BDBM50397045 NCc1cccc(COc2nc(N)nc3nc[nH]c23)c1