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377 SMILES Strings for Adenosine receptor A2a and A3

Compound NameSMILES String
BDBM50009525 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50009552 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM10849 Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM10847 Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM14487 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM21242 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)cc3)ncnc12
BDBM21173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
BDBM21220 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM21221 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM25400 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM35804 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
BDBM38920 Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1
BDBM68391 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
BDBM82055 Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82558 CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM85775 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
BDBM85776 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
BDBM50452519 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ccnc12 |r|
BDBM50004587 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
BDBM50004566 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50001493 CCCn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50008368 Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1F
BDBM50008405 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50006702 CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006703 CCCn1c2nc(\C=C\c3ccc(OC)cc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006707 CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006710 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006714 CCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50453444 Nc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50453442 Nc1ccc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
BDBM50453443 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(NC)nc12 |r|
BDBM50009698 Cn1cnc2c(NC3CCCC3)ncnc12
BDBM50453532 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
BDBM50453533 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(C)c3)ncnc12 |r|
BDBM50453534 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r|
BDBM50453535 NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50453536 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
BDBM50453537 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50453529 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(C)c3)ncnc12 |r|
BDBM50453530 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12 |r|
BDBM50453531 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)c3ccccc3)ncnc12 |r|
BDBM50453538 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3OC)ncnc12 |r|
BDBM50454225 CCOC(=O)C1=C(C)NC(C)=C(C1\C=C\c1ccccc1)C(=O)OC |c:5,10|
BDBM50018417 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(O)=O)cc1
BDBM50018151 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O
BDBM50018162 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50453224 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50455119 CCOC(=O)C1=C(C)NC(C2CCC2)=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1 |c:5,14|
BDBM50455116 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4ccccn4)cc3)ncnc12 |r|
BDBM50455117 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4ncccn4)cc3)ncnc12 |r|
BDBM50453539 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50453540 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(OC)cc3)ncnc12 |r|
BDBM50453542 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12 |r|
BDBM50453541 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(OC)c3)ncnc12 |r|
BDBM50453543 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3[N+]([O-])=O)ncnc12 |r|
BDBM50453544 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)[N+]([O-])=O)ncnc12 |r|
BDBM50453545 CC(C)(C)OC(=O)NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50453546 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
BDBM50453673 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50453674 CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453675 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453652 OC[C@@H](O)Cn1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50453653 CNC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453654 CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453655 CNC(=O)[C@@H]1CC[C@@H](O1)n1cnc2c(NCc3ccccc3)nc(Cl)nc12 |r|
BDBM50453676 C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50453677 Ic1cccc(CNc2ncnc3n(CCCC#N)cnc23)c1
BDBM50453678 OC(=O)Cn1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50453679 Cn1cnc2c(NCc3cccc(I)c3)nc(NN)nc12
BDBM50453656 [H][C@@]12CO[Si](O[Si](O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12)(C(C)C)C(C)C)(C(C)C)C(C)C |r|
BDBM50453657 CNC(=O)[C@@H]1C[C@@H](F)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453658 CNc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
BDBM50453659 CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
BDBM50453660 CNc1nc(NC(=O)c2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50453661 COc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
BDBM50453662 Cn1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50453663 OCCn1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50453664 CNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50453665 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453666 CSc1nc(NCc2cccc(I)c2)c2ncn(C[C@H](O)CO)c2n1
BDBM50453667 CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
BDBM50453668 Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc12
BDBM50453669 CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453670 Cn1cnc2c(NCc3cccc(I)c3)nc(N)nc12
BDBM50453671 [H][C@]12OC(=S)O[C@@]1([H])[C@@H](O[C@@H]2C(=O)NC)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453672 Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50453915 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50454081 Nc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50454082 CNC(=O)[C@@]1(C)O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50454083 Nc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50454085 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4O3)ncnc12 |r|
BDBM50454087 Nc1nc(N)c2ncn([C@@H]3CCC[C@H]3O)c2n1 |r|
BDBM50454088 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
BDBM50454089 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r|
BDBM50454296 CCOC(=O)c1sc(c2c1CC(C)(C)CC2=O)S(C)(=O)=O
BDBM50454471 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(F)cc3)ncnc12 |r|
BDBM50454460 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3Cl)ncnc12 |r|
BDBM50454472 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(I)cc3)ncnc12 |r|
BDBM50454473 CCCCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC |r|
BDBM50454474 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(I)c3)ncnc12 |r|
BDBM50454461 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Br)c3)ncnc12 |r|
BDBM50454462 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)ncnc12 |r|
BDBM50454463 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)ncnc12 |r|
BDBM50454475 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(Cl)cc3)ncnc12 |r|
BDBM50454476 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)ncnc12 |r|
BDBM50454477 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3OC)ncnc12 |r|
BDBM50454464 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(C)cc3)ncnc12 |r|
BDBM50454465 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(F)c3)ncnc12 |r|
BDBM50454478 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3I)ncnc12 |r|
BDBM50454466 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r|
BDBM50454467 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(OC)c3)ncnc12 |r|
BDBM50454479 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)ncnc12 |r|
BDBM50454468 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NC(C)(C)C)ncnc12 |r|
BDBM50454469 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3C(F)(F)F)ncnc12 |r|
BDBM50454470 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3F)ncnc12 |r|
BDBM50037420 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC(O)=O)cc1
BDBM50037421 CCCCn1c2nc(CCCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
BDBM50037422 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50037423 CCCCn1c2nc(C=CC(O)=O)[nH]c2c(=O)n(CCCC)c1=O |w:9.9|
BDBM50037425 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCC(O)=O)cc1
BDBM50037426 Cn1c(\C=C\c2cccc(NC(=O)CCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037424 CCCCn1c2nc[nH]c2c(=O)n(CCCC)c1=O
BDBM50037431 CCCCn1c(=O)n(Cc2ccccc2)c2nc[nH]c2c1=O
BDBM50037432 CCCCn1c2nc(CCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
BDBM50037434 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)OCN(CC(O)=O)C(=O)OCC2c3ccccc3-c3ccccc23)cc1
BDBM50037435 OC(=O)COc1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
BDBM50037436 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CN(CC(O)=O)C(=O)CCC(O)=O)cc1
BDBM50037437 Cn1c(\C=C\c2cccc(NC(=O)CCCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037438 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNCC(O)=O)cc1
BDBM50037439 Cn1c(\C=C\c2cccc(NC(=O)CCCCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037440 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:22.24|
BDBM50037442 CCCCn1c2nc(\C=C\C(O)=O)n(C)c2c(=O)n(CCCC)c1=O
BDBM50037430 Cn1c(\C=C\C(O)=O)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037441 Cn1c2nc(CCCC(O)=O)[nH]c2c(=O)n(C)c1=S
BDBM50037443 Cn1c2nc(CCCC(O)=O)[nH]c2c(=O)n(C)c1=O
BDBM50035800 COC(=[OH+])C1=C(C)[N-]C(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,9|
BDBM50034878 CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
BDBM50034896 CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
BDBM50034904 Clc1nc(NC(=O)c2cccc(I)c2)c2ncn(C3CCCO3)c2n1
BDBM50034166 Nc1ncnc2n(cnc12)C1CC(O)C=C1 |c:16|
BDBM50034173 Nc1nc(N)c2ncn(C3COC(CO)C3)c2n1
BDBM50034180 Nc1nc(NCCc2ccccc2)nc2n(cnc12)C1CC(O)C(O)C1O
BDBM50034183 CNC(=O)C1CC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50034187 CCCCc1ccc(Nc2nc(N)c3ccn(C4CC(CO)C(O)C4O)c3n2)cc1
BDBM50047184 CCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
BDBM50047179 CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50048457 CCOC(=O)c1sc(SC)c2C(O)CCCc12
BDBM50048462 CCOC(=O)CSc1sc(C(=O)OCC)c2CCCC(=O)c12
BDBM50048448 CCOC(=O)c1sc(SC)c2c1CCCC2=O
BDBM50048453 OC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
BDBM50051338 CCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
BDBM50051347 CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
BDBM50051361 CSc1sc(C(=O)NN)c2CCC=Cc12 |c:12|
BDBM50053924 CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
BDBM50053929 Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50059101 Cc1ccc2c(O)cc(nc2n1)-c1ccc(F)cc1
BDBM50059377 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCCCc2ccccc2)=C(N=C1C)c1ccccc1 |c:29,31|
BDBM50059378 CCOC(=[OH+])C1=C(C)N=C(\C(C1C#Cc1ccccc1)=C(\[O-])OCc1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:5,8|
BDBM50059382 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2cccc(I)c2)=C(N=C1C)c1ccccc1 |c:28,30|
BDBM50059387 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(C)cc2)=C(N=C1C)c1ccccc1 |c:28,30|
BDBM50059393 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(cc2)C(=O)OCC(Cl)(Cl)Cl)=C(N=C1C)c1ccccc1 |c:35,37|
BDBM50059394 CCOC(=[OH+])C1=C(C)N=C(\C(C1C#Cc1ccccc1)=C(\[O-])OCc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c1ccccc1 |c:5,8|
BDBM50059399 CCCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:28,30|
BDBM50059404 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2cccc(C)c2)=C(N=C1C)c1ccccc1 |c:28,30|
BDBM50059406 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCCc2ccccc2)=C(N=C1C)c1ccccc1 |c:28,30|
BDBM50059413 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(cc2)C(F)(F)F)=C(N=C1C)c1ccccc1 |c:31,33|
BDBM50059414 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccc(cc2)[N+]([O-])=O)c1C#Cc1ccccc1
BDBM50067116 COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50066281 CCOC(=O)c1c(C)nc(C2CCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
BDBM50070863 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
BDBM50074215 CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)nc1-c1ccccc1
BDBM50074219 CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
BDBM50074220 CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
BDBM50074223 CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
BDBM50074225 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074228 CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074231 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074233 CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074235 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50080390 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080398 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50084860 COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
BDBM50088421 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50088422 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50088426 Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
BDBM50085658 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50090688 Cc1ccc2c(O)cc(nc2n1)-c1ccc(cc1)[N+]([O-])=O
BDBM50090696 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N1CCNCC1
BDBM50090701 Oc1cc(nc2nc(Oc3ccccc3)ccc12)-c1ccccc1
BDBM50090702 Cc1ccc2c(Oc3ccccc3)cc(nc2n1)-c1ccccc1
BDBM50090704 Cc1ccc2c(NC3CCCCC3)cc(nc2n1)-c1ccccc1
BDBM50090710 CCOC(=O)N1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50090711 Oc1cc(nc2ncccc12)-c1ccccc1
BDBM50090850 NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50090683 Nc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090684 COc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090685 Cc1ccc2c(S)cc(nc2n1)-c1ccccc1
BDBM50090686 Cc1ccc2ccc(nc2n1)-c1ccccc1
BDBM50090689 Cc1ccc2c(Cl)cc(nc2n1)-c1ccccc1
BDBM50090690 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1F
BDBM50090691 CCOc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090692 CCn1c(cc(=O)c2ccc(C)nc12)-c1ccccc1
BDBM50090693 CN(C)c1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50090695 Oc1cc(nc2[nH]c(=O)ccc12)-c1ccccc1
BDBM50090697 Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
BDBM50090698 Cc1ccc2c(NN)cc(nc2n1)-c1ccccc1
BDBM50090699 Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1
BDBM50090700 Oc1cc(nc2nc(Br)ccc12)-c1ccccc1
BDBM50090703 COc1cc(nc2n(C)c(=O)ccc12)-c1ccccc1
BDBM50090705 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090706 COc1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50090707 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N=[N+]=[N-]
BDBM50090708 Cc1ccc2c(N)cc(nc2n1)-c1ccccc1
BDBM50090709 Oc1cc(nc2nc(F)ccc12)-c1ccccc1
BDBM50094037 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50100416 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(Cl)nc12
BDBM50100418 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50106536 N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
BDBM50106538 N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
BDBM50106539 NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50106541 N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50106542 CNC(=O)[C@@H]1C[C@H](N)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50106543 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
BDBM50118803 O[C@@H]1[C@H](O)[C@]2(CCNC2=O)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50118808 OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50118810 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50118811 CCCCn1c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O
BDBM50118812 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50117108 Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
BDBM50124119 CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50163006 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OCc3ccccc3)nc(Cl)nc12
BDBM50163010 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)ncnc12
BDBM50163012 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(I)nc12
BDBM50163014 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12
BDBM50163015 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12
BDBM50163017 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCO)nc(Cl)nc12
BDBM50163020 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
BDBM50163021 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50163024 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccnc3)ncnc12
BDBM50163025 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12
BDBM50163028 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12
BDBM50163031 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc12
BDBM50163023 CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50162479 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50162487 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc23)[C@](C)(O)[C@@H]1O
BDBM50176050 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
BDBM50179182 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CCC3CC4)ncnc12
BDBM50179053 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3)ncnc12
BDBM50179022 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(Cl)nc12
BDBM50179023 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccccc3)ncnc12
BDBM50179024 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(OC)cc3)ncnc12
BDBM50179025 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(cc3)-c3ccccc3)ncnc12
BDBM50179026 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@@H](C)c3ccccc3)ncnc12
BDBM50179027 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(C)=O)ncnc12
BDBM50179028 CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50179029 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)ncnc12
BDBM50179030 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12
BDBM50179031 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#Cc1ccccc1
BDBM50179032 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#CC(O)c1ccccc1
BDBM50179033 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3Cl)ncnc12
BDBM50179034 CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50179035 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1ccc(Cl)cn1
BDBM50179036 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CC(O)c1ccccc1
BDBM50179037 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccccc3)ncnc12
BDBM50179038 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Cc3ccc(Cl)cc3Cl)ncnc12
BDBM50179039 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12
BDBM50179040 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3nncs3)ncnc12
BDBM50179041 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(Cl)nc12
BDBM50179042 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccco3)ncnc12
BDBM50179043 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(I)nc12
BDBM50179044 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ncccn3)ncnc12
BDBM50179045 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1
BDBM50179046 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccc(OC)c(OC)c3)ncnc12
BDBM50179047 CCCOc1ccc(NC(=O)Nc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1
BDBM50179048 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)ncnc12
BDBM50179049 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CCCCc1ccccc1
BDBM50179050 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(I)nc12
BDBM50179051 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@H](C)c3ccccc3)ncnc12
BDBM50179052 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O
BDBM50177307 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50177309 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50180197 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50199966 CCCOc1ccc(cc1)-c1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50199968 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(nn1)-c1ccccn1 |r|
BDBM50199969 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCC2)nn1 |r|
BDBM50199976 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(Cc2ccccc2)nn1 |r|
BDBM50199980 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CN(C)C)nn1 |r|
BDBM50207816 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
BDBM50214817 NNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50224770 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50224775 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
BDBM50241166 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50252717 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r|
BDBM50252755 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
BDBM50252756 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
BDBM50252757 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50252829 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50241447 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r|
BDBM50294668 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
BDBM50290165 CCn1c2nc(\C=C\c3ccc(OC)c(C)c3OC)n(C)c2c(=O)n(CC)c1=O
BDBM50290167 CCn1c2nc(\C=C\c3ccc(OC)c(C)c3C)n(C)c2c(=O)n(CC)c1=O
BDBM50290168 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CC)c1=O
BDBM50290902 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)ncnc12
BDBM50300275 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
BDBM50300282 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCCCN |r|
BDBM50364060 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCN)cc3)nc12 |r|
BDBM50367298 COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
BDBM50366540 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50366541 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50366542 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50366543 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50366544 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50367376 NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50366539 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12 |r|
BDBM50370194 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1(C)O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50370195 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1(C)O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50370196 CC1(O[C@H](CO)[C@@H](O)[C@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50368958 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)[N+]([O-])=O)ncnc12 |r|
BDBM50368959 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(Cl)cc3)ncnc12 |r|
BDBM50368962 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(NC(C)=O)c3)ncnc12 |r|
BDBM50368964 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12 |r|
BDBM50368967 CCNC(=O)C1OC(C(O)C1O)n1cnc2c1ncn(Cc1ccccc1[N+]([O-])=O)c2=[NH2+]
BDBM50368968 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(N)c3)ncnc12 |r|
BDBM50368969 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)[n+]([O-])cnc12 |r|
BDBM50368970 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)S(O)(=O)=O)ncnc12 |r|
BDBM50368975 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
BDBM50368907 CCCCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCCCC)c1=O |r|
BDBM50368908 CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O |r|
BDBM50368909 CCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCC)c1=O |r|
BDBM50368910 CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C(=O)c2ccccc2)c1=O |r|
BDBM50368911 CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=S |r|
BDBM50368912 CCCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCCC)c1=O |r|
BDBM50368913 CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O |r|
BDBM50368976 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](C)c3ccccc3)ncnc12 |r|
BDBM50368979 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
BDBM50368982 O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50368983 CCNC(=O)C1OC(C(O)C1O)n1cnc2c1ncn(Cc1ccc(cc1)[N+]([O-])=O)c2=[NH2+]
BDBM50368988 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(Br)cc3)ncnc12 |r|
BDBM50368989 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)S(O)(=O)=O)ncnc12 |r|
BDBM50369353 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@@]1(C)O |r|
BDBM50368914 CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2c(=O)n(CCCC)c1=O |r|
BDBM50368915 CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N(C)C)c2c(=O)n(CCCC)c1=O |r|
BDBM50368916 CCCCn1c2ncn(C3O[C@H](OC(C)=O)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O |r|
BDBM50368917 Cn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C)c1=O |r|
BDBM50368918 CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2c(=O)n(CCCC)c1=O |r|
BDBM50368919 COc1nc2n(C)c(=O)n(C)c(=O)c2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50368920 CCCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCCC)c1=O |r|
BDBM50368921 CCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCC)c1=O |r|
BDBM50369386 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3Cl)ncnc12 |r|
BDBM50369938 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C(O)C#C)[C@@H](O)[C@H]1O |r|
BDBM50368994 CC(O)[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50369188 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(F)(F)F)ncnc12 |r|
BDBM50369193 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(c3)C(F)(F)F)ncnc12 |r|
BDBM50368540 Nc1ccc(CCNc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I |r|
BDBM50369388 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4cc(C)on4)cc3)ncnc12 |r|
BDBM50370448 CCNC(O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)ncnc12 |r|
BDBM50370449 CCNC(=O)[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ncccn3)ncnc12 |r|
BDBM50397715 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(cc2)[N+]([O-])=O)=C(N=C1C)c1ccccc1 |c:30,32|
BDBM50397729 COc1ccc(cc1)-c1nsc(NC(C)=O)n1
BDBM50397719 CCCOC(=O)c1c(CC)c(C(=O)SCCC)c(CC)nc1-c1cccc(Cl)c1
BDBM50397726 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#N |r|
BDBM50397728 Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
BDBM50389797 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
BDBM50407975 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50407234 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(SC)nc12 |r|
BDBM50407530 Nc1cc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50408411 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O |r|
BDBM50408412 CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc23)[C@](C)(O)[C@@H]1O |r|
BDBM50138716 O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccncc1
BDBM50187586 CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
BDBM50187587 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(C)C)cc1
BDBM50187590 CCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC)c1=O
BDBM50187588 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
BDBM50187589 CCN(CC)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50187584 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1
BDBM50187585 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCC2)cc1
BDBM50187591 CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O