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3742 SMILES Strings for Adenosine receptor A3

Compound NameSMILES String
BDBM50445614 CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
BDBM10755 NCCc1c[nH]c2ccc(O)cc12
BDBM14487 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM21213 c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
BDBM23183 NCc1cc(=O)[nH]o1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM21173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
BDBM21229 CCCOc1cc(NC(=O)CC)nc(SCCC)n1
BDBM10847 Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM10849 Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM21233 CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1
BDBM21214 Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O
BDBM21172 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1
BDBM15203 O=S(=O)(N1CCNCC1)c1cccc2cnccc12
BDBM21226 CCCSc1nc(NC(C)=O)cc(OC)n1
BDBM21238 CCCSc1nc(NC(C)=O)cc(OCC2CCCCC2)n1
BDBM21239 CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
BDBM21217 Cc1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
BDBM21218 Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21
BDBM21225 CCCOc1cc(NC(=O)CC)nc(SC)n1
BDBM21219 CC1CSc2nc3nn[nH]c3c(=O)n12
BDBM21220 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM21240 CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1
BDBM21242 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)cc3)ncnc12
BDBM21221 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM21222 COc1cc(NC(C)=O)nc(SC)n1
BDBM21215 c1ccc2[nH]c(nc2c1)-c1cnc2ccccc2n1
BDBM21216 CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
BDBM21237 CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
BDBM21395 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM21235 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
BDBM21227 CCCSc1nc(NC(=O)CC)cc(OC)n1
BDBM21228 CCCOc1cc(NC(C)=O)nc(SCCC)n1
BDBM21232 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1
BDBM21393 CCCN(CCC)C1CCc2cccc(O)c2C1
BDBM21231 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
BDBM21234 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
BDBM21223 CCC(=O)Nc1cc(OC)nc(SC)n1
BDBM21224 CCCOc1cc(NC(C)=O)nc(SC)n1
BDBM21190 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
BDBM21230 CCCOc1cc(NC(C)=O)nc(SCc2ccccc2)n1
BDBM21236 CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
BDBM26658 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM29568 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
BDBM25753 CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
BDBM24182 NCC(CC(O)=O)c1ccc(Cl)cc1
BDBM22567 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
BDBM22111 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM25768 CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
BDBM23617 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
BDBM22165 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
BDBM25400 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50335696 CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
BDBM50335694 CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
BDBM50335695 CCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
BDBM50335697 CC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1
BDBM50335698 CCC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1
BDBM50335699 CCC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1
BDBM50335700 CC(=O)Nc1nc(cc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
BDBM50335701 CCC(=O)Nc1nc(cc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
BDBM50335702 CC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM50335703 CCCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM50335704 CCC(=O)Nc1nc(\C=C\c2ccccc2)cc(\C=C\c2ccccc2)n1
BDBM50335705 CCC(=O)Nc1nc(cc(n1)-c1ccco1)-c1ccco1
BDBM50335706 CCC(=O)Nc1nc(cc(n1)-c1ccsc1)-c1ccsc1
BDBM50335707 CC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
BDBM50335708 CCC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
BDBM50335709 CCCC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
BDBM50335710 CC(=O)Nc1cc(nc(n1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F
BDBM50335711 COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1
BDBM50335712 CCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
BDBM50335713 CCCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
BDBM50335714 CSc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(SC)cc1
BDBM50335715 CCC(=O)Nc1cc(nc(n1)-c1ccc(SC)cc1)-c1ccc(SC)cc1
BDBM50335716 CC(=O)Nc1cc(nc(n1)-c1ccc(cc1)C(C)=O)-c1ccc(cc1)C(C)=O
BDBM50335717 CCC(=O)Nc1cc(nc(n1)-c1ccc(cc1)C(C)=O)-c1ccc(cc1)C(C)=O
BDBM50335718 CCCC(=O)Nc1cc(nc(n1)-c1ccc(cc1)C(C)=O)-c1ccc(cc1)C(C)=O
BDBM50335719 CC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50335720 CCC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50335721 CCCC(=O)Nc1cc(nc(n1)-c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50335722 CC(=O)Nc1cc(nc(n1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50335723 CCC(=O)Nc1cc(nc(n1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50335724 CCCC(=O)Nc1cc(nc(n1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50335725 CC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335726 CCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335727 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335728 COc1ccccc1-c1cc(NC(C)=O)nc(n1)-c1ccccc1OC
BDBM50335729 CCC(=O)Nc1cc(nc(n1)-c1ccccc1OC)-c1ccccc1OC
BDBM50335730 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1OC)-c1ccccc1OC
BDBM50335731 COc1ccc(c(OC)c1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1OC
BDBM50335732 CCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1OC)-c1ccc(OC)cc1OC
BDBM50335733 CCCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1OC)-c1ccc(OC)cc1OC
BDBM50335734 CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM50335735 CCCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM50335736 CC(=O)Nc1cc(\C=C\c2ccccc2)nc(\C=C\c2ccccc2)n1
BDBM50335737 CCC(=O)Nc1cc(\C=C\c2ccccc2)nc(\C=C\c2ccccc2)n1
BDBM50335738 CC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
BDBM50335739 CCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
BDBM50335740 CCCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
BDBM50335741 CC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1
BDBM50335744 COc1ccc(cc1)-c1cc(NC(=O)C(C)C)nc(n1)-c1ccc(OC)cc1
BDBM50335745 CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
BDBM50335746 COc1ccc(cc1)-c1cc(NC(=O)C2CCCCC2)nc(n1)-c1ccc(OC)cc1
BDBM50335747 COc1ccc(c(OC)c1)-c1cc(NC(=O)C(C)C)nc(n1)-c1ccc(OC)cc1OC
BDBM50335748 CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1OC)-c1ccc(OC)cc1OC
BDBM50335749 COc1ccc(c(OC)c1)-c1cc(NC(=O)C2CCCCC2)nc(n1)-c1ccc(OC)cc1OC
BDBM50335688 CCCC(=O)Nc1nc(cc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
BDBM50335689 CCC(=O)Nc1nc(cc(n1)-c1ccc(SC)cc1)-c1ccc(SC)cc1
BDBM50335690 CCC(=O)Nc1nc(cc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335692 CCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM50335693 CCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM35785 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1
BDBM35839 CC(C)n1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
BDBM35786 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35837 CCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
BDBM35829 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1
BDBM35836 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncc[nH]1
BDBM35833 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccn1C
BDBM50091117 Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091118 Clc1ccc(cc1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
BDBM50170143 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(OC)cc1
BDBM35804 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
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
BDBM50084860 COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
BDBM50106543 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
BDBM50105084 O=C(OCc1cccc(Oc2ccccc2)c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50037422 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50088420 OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50088421 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50091119 O=C(Nc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091120 Clc1ccc2[nH]c(=O)c3nn(cc3c2c1)-c1ccccc1
BDBM50051339 COc1cc(OC)c(c(OC)c1)-c1oc2ccccc2c(=O)c1O |(16.48,-10.59,;16.35,-9.06,;14.97,-8.39,;13.7,-9.27,;12.32,-8.6,;11.06,-9.48,;11.17,-11,;12.21,-7.08,;13.47,-6.2,;13.34,-4.68,;14.84,-4.26,;14.85,-6.85,;10.82,-6.41,;9.54,-7.29,;8.16,-6.63,;6.92,-7.51,;5.51,-6.85,;5.38,-5.32,;6.66,-4.44,;8.04,-5.09,;9.3,-4.22,;9.18,-2.7,;10.69,-4.87,;11.96,-4.01,)|
BDBM50051340 Oc1ccccc1C1CC(=O)c2ccccc2O1
BDBM50051341 COc1c2ccoc2cc2oc(C=O)cc(=O)c12
BDBM50051342 CC(C)COc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
BDBM50051343 CCCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
BDBM50051344 COc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
BDBM50051345 CCOc1c2ccoc2cc2oc(\C=C\C=C\c3ccccc3)cc(=O)c12
BDBM50051346 COc1ccc2oc(CCc3ccccc3)c(O)c(=O)c2c1
BDBM50051347 CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
BDBM50199966 CCCOc1ccc(cc1)-c1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50199967 COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
BDBM50041912 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1
BDBM50041905 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
BDBM50041906 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O
BDBM50120763 CCc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
BDBM50034682 COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50034683 COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50120764 O=C(Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1)C1CCCC1
BDBM50013711 Nc1ncnc2n(cnc12)C1CCCCC1
BDBM50013721 Nc1ncnc2nc(Br)[nH]c12
BDBM50013702 Nc1ncnc2n(cnc12)C1CCCCCC1
BDBM50079451 CCOC(=O)C1=C(N=C(C)C([C@@H]1C#Cc1ccccc1)C(=O)OC[C@H]1COC(C)(C)O1)c1ccccc1 |t:5,7|
BDBM50041895 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCC(C)O
BDBM50170133 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(cc1)-c1ccccc1
BDBM50170134 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)c(C)n3c2c1=O
BDBM50157672 CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157656 CCC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157657 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1
BDBM50157658 CC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157659 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50170135 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)(C)C
BDBM50157674 Clc1ccc(cc1)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50157675 CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50157676 CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157681 COc1ccc(cc1)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50170128 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccccc1
BDBM50170129 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CCCCC1
BDBM50170130 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(F)cc1
BDBM50170131 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(Cn3c2c1=O)c1ccccc1 |c:18|
BDBM50170132 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50170136 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O |t:18|
BDBM50170137 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)Cn3c2c1=O |t:18|
BDBM50170138 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)c(C)n3c2c1=O
BDBM50170139 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C
BDBM50170140 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CC1
BDBM50170141 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)cn3c2c1=O
BDBM50170142 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)C(C)n3c2c1=O |t:18|
BDBM50157662 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CC1
BDBM50157663 CCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM50157665 CC(C)CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157666 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCC1
BDBM50159959 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
BDBM50157653 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CC1
BDBM50013706 Nc1ncnc2n(Cc3ccccc3)cnc12
BDBM50120756 CCC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
BDBM50120759 Cc1cn2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
BDBM50120760 Cc1cn2c(NC(=O)C3CCCCC3)nc(nc2n1)-c1ccccc1
BDBM50120761 Cc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
BDBM50120762 CC(=O)CNc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1
BDBM50120766 CC(=O)Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1
BDBM50120767 CC(C)c1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
BDBM50120768 CC(C)c1cn2c(NCC(C)=O)nc(nc2n1)-c1ccccc1
BDBM50120769 Cc1cn2c(NCc3ccccc3)nc(nc2n1)-c1ccccc1
BDBM50120770 Cc1cn2c(NC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)nc(nc2n1)-c1ccccc1 |THB:11:10:7:12.14.13,11:12:7:10.15.9|
BDBM50106540 [#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6@@H](-[#6]-[#8])-[#8]-[#6@H](-[#6@@H]1-[#8])-n1cnc2c(-[#7])ncnc12
BDBM50106535 N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50106536 N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
BDBM50185932 NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50185933 CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50185934 NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50185935 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1NC(N)=O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50185936 COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](CN)[C@H]1O
BDBM50185937 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50185938 NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50185939 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
BDBM50185941 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50122928 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
BDBM50122929 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50122930 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NC)ncnc12
BDBM50190452 CCOC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCC)c1CC
BDBM50190453 CCOC(=O)c1c(C)c(C(=O)SCC)c(C)nc1-c1ccccc1
BDBM50094037 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50141451 Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50103754 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c1nc[nH]c2=O
BDBM50103755 CCCCn1c2ncn([C@@H]3[C@H]4C[C@@]4(CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O
BDBM50103756 O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OC[C@@]34C[C@@H]3[C@H]([C@H](O)[C@@H]4O)n3cnc4c3nc[nH]c4=O)C[C@@H]2[C@H]1n1cnc2c1nc[nH]c2=O
BDBM50103757 CCCCn1c2ncn([C@@H]3[C@H]4C[C@]4([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O
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|
BDBM50199972 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(Cl)c2)nn1 |r|
BDBM50059374 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=C(N=C1C)c1ccccc1 |c:35,37|
BDBM50059375 COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
BDBM50059376 COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10|
BDBM50105099 Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50122926 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
BDBM50122927 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12
BDBM50120758 Cc1cn2c(NC3CCCC3)nc(nc2n1)-c1ccccc1
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
BDBM50120753 CC(=O)Nc1nc(nc2nc(C)cn12)-c1ccccc1
BDBM50120754 Cc1cn2c(NCC3CCCCC3)nc(nc2n1)-c1ccccc1
BDBM50120755 CCc1cn2c(NCC(C)=O)nc(nc2n1)-c1ccccc1
BDBM50120757 Cc1cn2c(N)nc(nc2n1)-c1ccccc1
BDBM50083917 Cn1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
BDBM50141447 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCc3ccccc3)nc12
BDBM50141448 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC(=O)CCC3CCCC3)nc12
BDBM50141449 Nc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50141450 Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50037435 OC(=O)COc1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
BDBM50182962 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1
BDBM50182963 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCCC1
BDBM50182964 CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50182961 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(c1)[N+]([O-])=O
BDBM50182965 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccc(OC)cc1
BDBM50182966 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCCCc1ccccc1
BDBM50182967 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(OC)c1
BDBM50182968 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)C1CCCCC1
BDBM50182973 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(N)CCCCC1
BDBM50182974 CCCCC[C@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50182975 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(I)nc12
BDBM50182969 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCC(C)O
BDBM50182970 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(c1)C(O)=O
BDBM50182971 CCCCC[C@@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50182972 CCCCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50106537 CNC(=O)C12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50176065 C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
BDBM35834 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc[nH]1
BDBM50088422 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50088423 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50088424 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50088425 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50088427 Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50091110 Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
BDBM50091111 Cc1ccccc1-n1cc2c(n1)c(N)nc1ccccc21
BDBM50091113 Clc1ccc2nc(NC3CCCCC3)c3nn(cc3c2c1)-c1ccccc1
BDBM50091114 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091116 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1
BDBM50149370 COc1ccc(cc1)-n1nc2c(N)nc3c(cccc3n2c1=O)[N+]([O-])=O
BDBM50149373 Nc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50141452 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCC3CCCC3)nc12
BDBM50141453 CCNc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50141454 Nc1nc(NC(=O)C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50141455 Nc1nc(NC(=O)\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50141456 Nc1nc(NC(=O)CCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50051334 Clc1ccc2oc(-c3ccccc3)c(Cl)c(=O)c2c1
BDBM50051335 COc1c2ccoc2cc2oc(\C=N\c3ccccc3)cc(=O)c12
BDBM50051336 CCOc1cc(O)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
BDBM50051337 CCCOc1cc(OCCC)c2c(c1)oc(-c1ccccc1)c(OCCC)c2=O
BDBM50159970 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
BDBM50149368 CCOc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149369 CN(C)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50199270 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2C[C@@H]1[C@H]1O[C@@H]21 |THB:6:17:20:22.24,23:22:20:18.17,23:24:20:18.17|
BDBM50152082 CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50152083 CCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50152084 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50152085 CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
BDBM50152086 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
BDBM50152087 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1nc2ccccc2o1
BDBM50152088 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
BDBM50152089 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50152090 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccncc1
BDBM50152091 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1nccc2ccccc12
BDBM50228373 Cc1ccc(NC(=O)c2[nH]c(=O)nc3ccccc23)cc1
BDBM50228374 O=C(Nc1ccccc1)c1[nH]c(=O)nc2ccccc12
BDBM50228370 Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1
BDBM50228371 Cc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1
BDBM50228372 CC(=O)Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1
BDBM50059398 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC[Si](C)(C)C)=C(N=C1C)c1ccccc1 |c:25,27|
BDBM50059399 CCCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:28,30|
BDBM50059400 CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1 |t:5,7|
BDBM50059401 CCOC(O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1-c1ccccn1
BDBM50059402 CCOC(=O)C1C(c2cc3ccccc3o2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:23,25|
BDBM50059403 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2C)=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|
BDBM50059407 CCNC(=O)C1=C(N(COCC)C(C)=C(C1C#Cc1ccccc1)C(=O)OCC)c1ccccc1 |c:13,t:5|
BDBM50059408 CCOC(=O)C1=C(C)N(COC)C(=C(C1C#Cc1ccccc1)C(=O)OCC[Si](C)(C)C)c1ccccc1 |c:5,12|
BDBM50059409 CCNC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
BDBM50059410 CCOC(=O)C1C(c2cccs2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:18,20|
BDBM50061927 Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50118809 CC1=NC(=C(C(C#Cc2ccccc2)C1C(O)=O)C(O)=O)c1ccccc1 |c:3,t:1|
BDBM50118810 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50039956 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccoc1
BDBM50039957 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccsc1
BDBM50039958 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1cccs1
BDBM50039959 COc1ccc(cc1)-c1nc2n(n1)c1cc(Cl)ccc1[nH]c2=O
BDBM50039960 O=c1[nH]c2ccccc2n2nc(nc12)-c1ccco1
BDBM50199987 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCCC2)nn1 |r|
BDBM50199988 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(nn1)-c1ccccc1 |r|
BDBM50199970 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(Cc2ccccc2)nn1 |r|
BDBM50199971 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1ccnn1 |r|
BDBM50199973 CNc1nc(N=[N+]=[N-])nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50199974 CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50199975 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2ccccc2)nn1 |r|
BDBM50199976 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(Cc2ccccc2)nn1 |r|
BDBM50199977 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccn1 |r|
BDBM50199978 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CCO)nn1 |r|
BDBM50199979 CCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50199980 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CN(C)C)nn1 |r|
BDBM50199981 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(N=[N+]=[N-])nc12 |r|
BDBM50199982 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(OC)c2)nn1 |r|
BDBM50199983 CCCCc1cn(nn1)-c1nc(NC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
BDBM50199984 COc1ccc(Cl)c(CNc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CC3CCCC3)nn2)c1 |r|
BDBM50199985 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1ccnn1 |r|
BDBM50199986 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(CC2CCCC2)nn1 |r|
BDBM50103752 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c1nc[nH]c2=O
BDBM50182311 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCCCC3)ncnc12
BDBM50182312 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)cc(Cl)c3)ncnc12
BDBM50182313 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCC(CC3)N(C)C)ncnc12
BDBM50182314 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1NC(C)=O)n1cnc2c(NC)ncnc12
BDBM50103753 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50224773 CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224775 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
BDBM50224778 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
BDBM50224763 CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224764 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
BDBM50224769 CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50224770 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50006730 CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
BDBM50157668 CCCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157669 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1
BDBM50157670 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)c1ccccc1
BDBM50118801 NC(=O)CCN=C1N(CNc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NCCc1ccc(CCC(O)=O)cc1 |w:5.4|
BDBM50118802 Nc1nc(Cl)nc2n(cnc12)C1C2CC2(CO)C(O)C1O
BDBM50118811 CCCCn1c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O
BDBM50078509 CCOC(=O)c1nc2n(n1)c1ccc(N)cc1[nH]c2=O
BDBM50079447 CCOC(=O)C1[C@H](C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
BDBM50079448 CCOC(=O)C1=C(N=C(C)C([C@H]1C#Cc1ccccc1)C(=O)OC[C@H]1COC(C)(C)O1)c1ccccc1 |t:5,7|
BDBM50199269 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCC(O)=O)(CC1)CC2
BDBM50048453 OC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
BDBM50042198 O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCC1
BDBM50208806 Nc1nc(OCCc2cc[nH]c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50152080 CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50009525 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50212804 Cn1c2nc3N(Cc4ccccn4)CCCn3c2c(=O)n(C)c1=O
BDBM50212805 CCCn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212807 CCCn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50035800 COC(=[OH+])C1=C(C)[N-]C(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,9|
BDBM50041894 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC1=CCCCC1 |t:27|
BDBM50041901 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCC#N
BDBM50037785 Nc1ccc(CCNc2ncnc3n(cnc23)C2OC(CO)C(O)C2O)cc1
BDBM50059385 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)C(F)(F)F |c:21,23|
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|
BDBM50059395 CCO\C([O-])=C1\C(C#Cc2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
BDBM50059396 CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1cccnc1 |c:12,14|
BDBM50059397 CCNC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)OCC)c1ccccc1 |t:5,7|
BDBM50059411 CCOC(=O)C1C(C#Cc2cccc(C)c2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24|
BDBM50059412 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1CC)c1ccccc1 |c:27,29|
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
BDBM50059415 CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(C)=O)c1ccccc1 |t:5,7|
BDBM50042205 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50088428 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50041590 CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1
BDBM50041599 Cn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1
BDBM50074220 CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
BDBM50074221 CCCOC(=O)c1c(CCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074222 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)nc1-c1ccccc1
BDBM50097442 Clc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50097443 Cc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097444 Clc1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097445 O=C(Nc1nc(cs1)-c1ccccn1)C1CCCC1
BDBM50097446 COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1
BDBM50179302 Clc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
BDBM50179303 Clc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
BDBM50179304 Cc1cc(Cl)cc2[nH]c(nc12)-c1cnc2ccccc2n1
BDBM50179305 O=c1n2CCSc2nc2nn[nH]c12
BDBM50179306 CSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
BDBM50179307 Cc1cc2nc([nH]c2cc1C)-c1cnc2ccccc2n1
BDBM50052384 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc2OCOc2c1)C(=O)OC |c:5,t:8|
BDBM50052386 [#6]-[#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#6])-[#7]=[#6](-[#6])-[#6](-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6] |c:5,t:8|
BDBM50205582 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)ncnc12
BDBM50052379 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(O)c(OC)c1)C(=O)OC |c:5,t:8|
BDBM50052380 CCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:13,15|
BDBM50052382 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:5,t:8|
BDBM50052383 CCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:5,t:8|
BDBM50186593 Clc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
BDBM50186594 c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50186596 c1ccc(cc1)-c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50242664 COc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50186597 Cc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
BDBM50205581 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)nc(Cl)nc12
BDBM50018162 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50041584 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
BDBM50064176 COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
BDBM50086176 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
BDBM50086179 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |t:32|
BDBM50074225 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074227 CCCCCCSC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC
BDBM50124120 CNc1nc(Cl)nc2n(cnc12)C1OC(CO)C(F)C1O
BDBM50124121 OCC1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50124119 CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50094598 CCC(CO)Nc1nc(nc2n(C3CCCC3)c(C)c(C)c12)-c1ccccc1
BDBM50094601 CCC(CO)Nc1nc(nc2n([C@H](C)c3ccccc3)c(C)c(C)c12)-c1ccc(Cl)cc1
BDBM50039949 O=c1[nH]c2ccccc2n2nc(nc12)-c1cccs1
BDBM50039951 COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
BDBM50039954 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccco1
BDBM50190699 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
BDBM50190701 CC(C)NS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50190703 CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1
BDBM50078524 CCOC(=O)c1nc2n(n1)c1cc(Cl)ccc1[nH]c2=O
BDBM50078530 CCOC(=O)c1nc2n(n1)c1ccccc1[nH]c2=O
BDBM50182320 CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC)ncnc12
BDBM50190445 CCCOC(=O)c1c(CC)c(C(=O)OCC)c(CC)nc1-c1ccccc1
BDBM50190446 CCn1cc2C3NC(=NN3C(NC(=O)Nc3ccc(F)cc3)=Nc2n1)c1ccco1 |c:7,23|
BDBM50023498 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
BDBM17657 N[C@@H](CCC(O)=O)C(O)=O
BDBM50053922 CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053930 CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50086181 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)Nc2ccccc2C(C)=O)cc1 |w:22.24|
BDBM50086182 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
BDBM50086184 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
BDBM50086185 OC(=O)C=Cc1ccc(cc1)-c1nc2n(CC3CCCCC3)c(=O)n(CC3CCCCC3)c(=O)c2[nH]1 |w:3.2|
BDBM50086186 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2C(C)=O)cc1
BDBM50086187 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1
BDBM50215116 CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50215117 Nc1ncnc2n(cnc12)[C@@H]1O[C@@]2(CO)CO[C@@H]1[C@@H]2O
BDBM50215118 OC[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50215119 CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50218904 Cc1ccc(cc1)-n1cc2c(n1)c(nc1ccccc21)N(C(=O)c1ccccc1)C(=O)c1ccccc1
BDBM50268084 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2nc3cc(Cl)ccc3s2)cc1
BDBM50086159 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
BDBM50086160 Cn1c2ccccc2n2c(nn(-c3ccccc3)c2=O)c1=O
BDBM50086161 COc1ccc(NC(=O)Nc2nc3ccccc3n3c2nn(-c2ccccc2)c3=O)cc1
BDBM50086162 O=c1n(nc2c(NCc3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50205590 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4cc(OC)cc(OC)c4)cc3)ncnc12
BDBM50205591 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)ncnc12
BDBM50205592 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)ncnc12
BDBM50221680 CCCn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(CCC)c1=O
BDBM50074213 CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1
BDBM50074214 CCCOC(=O)c1c(CCC)c(C(=O)SCC2COC(C)(C)O2)c(CC)nc1-c1ccccc1
BDBM50074215 CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)nc1-c1ccccc1
BDBM50074216 CCCOC(=O)c1c(CCC)c(C(=O)SCCF)c(CC)nc1-c1ccccc1
BDBM50074217 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccc(F)cc1
BDBM50074232 CCCc1c(C(=O)SCC)c(CCSC(C)=O)nc(-c2ccccc2)c1C(=O)OCC
BDBM50074233 CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50079652 OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
BDBM50037440 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:22.24|
BDBM50190705 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O
BDBM50152092 COc1ccc(cc1)-c1cnn(c1)-c1nc(NCc2cccc(I)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50109434 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50109435 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
BDBM50086173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1
BDBM50086174 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
BDBM50149355 [O-][N+](=O)c1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149356 Oc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149357 COc1ccc(cc1)-n1nc2n(c3cccc([N+]([O-])=O)c3[nH]c2=O)c1=O
BDBM50149358 Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O
BDBM50149359 COc1ccc(cc1)-n1nc2n(c3cccc(N)c3[nH]c2=O)c1=O
BDBM50149360 CC(=O)Oc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149361 COc1ccc(cc1)-n1nc2c(N)nc3c(N)cccc3n2c1=O
BDBM50149362 CCOc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50149363 Nc1nc2c(N)cccc2n2c1nn(-c1ccc(O)cc1)c2=O
BDBM50149366 Nc1nc2ccccc2n2c1nn(-c1ccc(O)cc1)c2=O
BDBM50149367 Nc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50074210 CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074211 CCOC(=O)c1c2CCCNC(=O)c2c(CC)nc1-c1ccccc1
BDBM50003624 OC(=O)C1CCCNC1
BDBM50054670 CCO\C([O-])=C1\C(\C=C\c2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:33,t:30|
BDBM50054671 CCOC(=O)C1C(\C=C\c2ccccc2OC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:23,25|
BDBM50054672 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccoc1 |c:21,23|
BDBM50054687 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:30,t:27|
BDBM50054688 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(Cl)cc1 |c:21,23|
BDBM50054689 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:30,t:27|
BDBM50086163 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |w:22.24,t:32|
BDBM50086164 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1
BDBM50254854 CCCn1c(=O)n(Cc2ccncc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50254898 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC=C)c(=O)c23)[nH]1
BDBM50224350 Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
BDBM50224351 COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(C)cc1)c2=O
BDBM50224352 COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(C)cc1)c2=O
BDBM50254855 CCCn1c(=O)n(Cc2cccnc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50254856 CCCn1c(=O)n(Cc2ccccn2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50002369 CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r|
BDBM50229885 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
BDBM50229886 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C
BDBM50097454 COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1ccccc1
BDBM50097455 COc1ccc(cc1C)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50001498 CCCCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50086158 Cn1c2ccccc2n2c(nn(-c3ccc(Cl)cc3)c2=O)c1=O
BDBM50205583 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12
BDBM50205588 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)ncnc12
BDBM50205589 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)C(C)(C)C)cc3)ncnc12
BDBM50176743 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c1
BDBM50176744 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(OC)cc2)c1
BDBM50176745 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2OC)c1
BDBM50176746 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(Cl)c2)c1
BDBM50176747 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(OC)cc2)c1
BDBM50176748 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
BDBM50176749 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(OC)c2)c1
BDBM50176750 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2C(F)(F)F)c1
BDBM50176751 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2)c1
BDBM50176752 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(Cl)c2)c1
BDBM50176753 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2OC)c1
BDBM50091142 Cc1ccc(cc1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
BDBM50091143 C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091144 Cc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
BDBM50176754 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1
BDBM50176755 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50176756 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50105101 Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105102 CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105103 Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105104 CCOc1ccc(CCOC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
BDBM50051348 [#6]-[#8]-c1cc2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c(=O)c2c(-[#8])c1-[#6]=[#6]-[#6](-[#6])-[#6])-c1ccc(-[#8])cc1-[#8] |w:19.20|
BDBM50051349 COc1c2ccoc2cc2oc(C)cc(=O)c12
BDBM50051350 Oc1ccc(cc1)C1CC(=O)c2ccccc2O1
BDBM50051351 COc1ccc2oc(C#Cc3ccccc3)c(O)c(=O)c2c1
BDBM50051352 O=c1ccnc2ccccn12
BDBM50051353 CCOc1ccc(c(OCC)c1)-c1oc2cc(OCC)cc(O)c2c(=O)c1OCC
BDBM50051354 Clc1c(oc2ccccc2c1=O)-c1ccccc1
BDBM50051355 Nc1nc2ncc(NCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1
BDBM50051356 OCCN(CCO)C1=NC(N2CCCCC2)c2nc(nc(N3CCCCC3)c2N1)N(CCO)CCO |t:7|
BDBM50051357 CCOc1ccc(c(OCC)c1)-c1oc2cc(OCC)cc(OCC)c2c(=O)c1OCC
BDBM50051358 O=C1CC(Oc2ccccc12)c1ccccc1
BDBM50051359 Cc1cc(C)c(c(C)c1)-c1oc2ccc(Cl)cc2c(=O)c1Cl |(28.72,-16.12,;27.39,-16.88,;27.39,-18.42,;26.05,-19.19,;26.05,-20.73,;24.72,-18.42,;24.72,-16.88,;23.39,-16.11,;26.05,-16.11,;23.39,-19.18,;22.05,-18.4,;20.71,-19.17,;19.38,-18.41,;18.05,-19.18,;18.05,-20.72,;16.71,-21.49,;19.38,-21.5,;20.71,-20.72,;22.04,-21.49,;22.04,-23.03,;23.38,-20.72,;24.72,-21.5,)|
BDBM50051338 CCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
BDBM50205593 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)c(OC)c4)cc3)ncnc12
BDBM50205594 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)N4CCOCC4)cc3)ncnc12
BDBM50014007 CCOC(=O)C1C(C)C(C(=O)OCCSc2ccccc2)=C(C)N=C1C |c:24,t:21|
BDBM50004566 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50009685 Cn1cnc2c(N)ncnc12
BDBM50004461 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1
BDBM50205711 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(OC)cc1
BDBM50205712 CCCCCc1ccc(cc1)C#Cc1nc(NOC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50205707 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCCC1O
BDBM50205708 CCCCCc1ccc(cc1)C#Cc1nc(NOC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50205709 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1
BDBM50205710 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
BDBM50205713 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(C)cc1
BDBM50205714 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O
BDBM50205715 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C
BDBM50205716 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(C)cc1
BDBM50205717 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(I)nc12
BDBM50205718 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O
BDBM50205719 CCCCC#Cc1nc(NOC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50205720 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
BDBM50205721 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccncc1
BDBM50205722 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
BDBM50205723 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1cccc(c1)C(F)(F)F
BDBM50205724 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C[Si](C)(C)C
BDBM50228365 Brc1ccc(NC(=O)c2[nH]c(=O)nc3ccccc23)cc1
BDBM50228366 Nc1nc(C(=O)Nc2ccc(Br)cc2)c2ccccc2n1
BDBM50228367 COc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1
BDBM50228368 COc1ccc(NC(=O)c2[nH]c(=O)nc3ccccc23)cc1
BDBM50228369 O=C(Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1)c1ccccc1
BDBM50205580 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)ncnc12
BDBM50205725 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1cccnc1
BDBM50097449 Ic1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50097450 Clc1ccc(cc1Cl)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097451 Oc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50097452 OC(=O)COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50097453 COc1ccc(NC(=O)Nc2nc(ns2)-c2ccccc2)cc1
BDBM50097447 O=C(Nc1nc(cs1)-c1ccccc1)Nc1ccccc1
BDBM50097448 Clc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50205726 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(CC#N)cc1
BDBM50205727 CCCCCc1ccc(cc1)C#Cc1nc(NOC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2n1
BDBM50205728 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(cc1)C(N)=O
BDBM50205729 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
BDBM50205730 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCCC#N
BDBM50048457 CCOC(=O)c1sc(SC)c2C(O)CCCc12
BDBM50018905 CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
BDBM50224759 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
BDBM50224760 CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
BDBM50103758 O[C@@H]1[C@H](O)[C@]2(COP(O)(O)=O)C[C@@H]2[C@H]1n1cnc2c1nc[nH]c2=O
BDBM50118799 CNC(=O)C12CC1C(C(O)C2O)n1cnc2c(NC)nc(Cl)nc12
BDBM50118800 CNCC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
BDBM50182324 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCNCC3)ncnc12
BDBM50182325 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)cc(Cl)c3)ncnc12
BDBM50182326 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(N)=O)ncnc12
BDBM50182327 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(OC)ccc3OC)ncnc12
BDBM50120765 CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
BDBM50021450 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
BDBM50152071 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc2ccccc2n1
BDBM50268180 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1
BDBM50141005 Cn1nc(NC(=O)Cc2ccccc2)cc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50141006 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Cc2ccccc2)cc1
BDBM50141007 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(cc2)C(F)(F)F)nn1C
BDBM50268209 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1
BDBM50268210 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM50268211 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM50268245 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
BDBM50268246 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
BDBM50088470 O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccncc1
BDBM50088471 COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1
BDBM50088472 O=C(Nc1ccccc1)Nc1ncnc2ccccc12
BDBM50088473 O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)N1CCCC1
BDBM50088474 Cc1cccc(n1)-c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
BDBM50088475 COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1
BDBM50088476 O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
BDBM50088477 Cc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1
BDBM50088478 Cc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1
BDBM50138530 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
BDBM50176062 CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|
BDBM50109463 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1
BDBM50109464 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50109465 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50109466 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1
BDBM50276866 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccco1
BDBM50190434 O=C(Nc1cccnc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50190435 CCCOC(=O)c1c(CCC)c(C(=O)OCC)c(CC)nc1-c1ccccc1
BDBM50190436 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC
BDBM50190437 OCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
BDBM50190433 O=C(Nc1ccncc1)Nc1nc2nn(CCCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50067072 c1ccc(cc1)-c1nc(cc2ccccc12)-c1ccccn1
BDBM50067073 CSc1nc(cc2ccccc12)-c1ccccn1
BDBM50067074 Clc1nc(cc2ccccc12)-c1ccccn1
BDBM50067075 CC(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1
BDBM50067076 NC=Nc1nc(cc2ccccc12)-c1ccccn1 |w:1.0|
BDBM50067077 NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1cccc(Cl)c1 |w:2.2|
BDBM50067078 COc1nc(cc2ccccc12)-c1ccccn1
BDBM50067079 O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
BDBM50067080 COc1ccc(cc1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1 |w:10.11|
BDBM50067081 Nc1nc2ccc(F)cc2c2nc(nn12)-c1ccco1
BDBM50189817 Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50189818 O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
BDBM50189819 Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50125907 CSc1n(C)nc2nc(NC(=O)Cc3ccc(CC(C)C)cc3)n3nc(nc3c12)-c1ccco1
BDBM50125908 CCNc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
BDBM50125909 Cn1nc2nc(N)n3nc(nc3c2c1Nc1ccc(O)cc1)-c1ccco1
BDBM50224344 Cc1ccc(cc1)-c1nn2c(NC(=O)c3cccc(Cl)c3)nc3ccccc3n2c1=O
BDBM50224345 Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50224346 O=C(Nc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50189814 COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O
BDBM50189815 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(N)cccc3n2c1=O
BDBM50189816 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O
BDBM50117215 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
BDBM50117216 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1
BDBM50117217 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1Cl
BDBM50117218 CCCCc1nc2ncnc2c2nc(C)[nH]n12
BDBM50117219 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
BDBM50117220 CCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
BDBM50105071 Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O
BDBM50196558 CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc(C)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196559 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(O)=O
BDBM50196560 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1
BDBM50196561 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1
BDBM50196562 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cc(ccn3)C(O)=O)nc(nc12)-n1cc(CO)cn1
BDBM50196563 CCOC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196564 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
BDBM50196565 CNC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196566 CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196567 CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50094684 Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(nn12)-c1ccco1
BDBM50094685 [#6]\[#6](-[#6])=[#6]/[#6]-n1cc2c(n1)nc(-[#7]-[#6](=O)-[#7]-c1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50094686 COc1ccc(NC(=O)Nc2nc3nn(cc3c3nc(nn23)-c2ccco2)C(C)(C)C)cc1
BDBM50221697 Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221698 Cn1c2nc3N(CCOCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221699 Cn1c2nc3N(CCc4ccccn4)CCCn3c2c(=O)n(C)c1=O
BDBM50221701 CCCn1c2nc3N(CCc4ccc(OC)c(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50221702 Cn1c2nc3N(CCOc4ccc(Cl)cc4Cl)CCCn3c2c(=O)n(C)c1=O
BDBM50252716 CNc1ncnc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O |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|
BDBM50254934 CN(C)CCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50254935 CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
BDBM50254936 CCn1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
BDBM50221684 CC(=O)Nc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50221685 Cn1c2nc3N(CCOCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221686 Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221693 Cc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50221694 CCCn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50240579 Cn1cnc2ncnc(N)c12
BDBM50241447 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r|
BDBM50271536 O=C(NCc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50176757 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C#N)c1
BDBM50176759 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(c2)C(F)(F)F)c1
BDBM50176761 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2Cl)c1
BDBM50176762 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2OC)c1
BDBM50176763 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(OC)cc2)c1
BDBM50176764 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(Cl)c2)c1
BDBM50176765 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(OC)c2)c1
BDBM50176766 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(C)c2)c1
BDBM50176767 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(C)cc2)c1
BDBM50176768 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2Cl)c1
BDBM50176769 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1
BDBM50186986 COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cn1
BDBM50182982 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1(O)CCCC1
BDBM50182983 CCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50182984 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCCO
BDBM50182985 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)C1CCCC1
BDBM50186987 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50186988 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
BDBM50180054 COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
BDBM50182976 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1[N+]([O-])=O
BDBM50182977 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCCCCO
BDBM50182978 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#C[C@@H](C)O
BDBM50182979 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1cccc(c1)C(=O)OC
BDBM50182980 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC(O)c1ccccc1OC
BDBM50182981 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CCc1ccccc1
BDBM50083922 O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
BDBM50001490 CCCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50205575 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)nc(Cl)nc12
BDBM50205576 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccc(OC)cc4)cc3)ncnc12
BDBM50205577 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NC4CCCCC4)cc3)nc(Cl)nc12
BDBM50205578 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)nc(Cl)nc12
BDBM50001493 CCCn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50186602 Clc1ccc(cc1)-c1nc(-c2ccc(Cl)cc2)c2[nH]cnc2n1
BDBM50271495 COc1ccc(cc1)-n1nc2c(NS(C)(=O)=O)nc3ccccc3n2c1=O
BDBM50186599 C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50186600 COc1ccc(cc1)-c1nc(-c2ccc(OC)cc2)c2[nH]cnc2n1
BDBM50186601 Clc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
BDBM50271497 CS(=O)(=O)N(c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)S(C)(=O)=O
BDBM50067094 NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccc(Cl)cc1 |w:2.2|
BDBM50067095 Cc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067096 O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
BDBM50067097 Cc1ccc(cc1C)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067098 COc1ccc(cc1OC)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067115 CC(C)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067100 O=C(N(C(=O)c1ccccc1)c1nc(nc2ccccc12)-c1ccccn1)c1ccccc1
BDBM50067101 Cc1cc(C)cc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067102 Clc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067103 Cc1ccc(C)c(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067104 CC(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067105 Cc1ccc(C(=O)Nc2nc(cc3ccccc23)-c2ccccn2)c(C)c1
BDBM50067106 CC(=O)Nc1nc(nc2ccccc12)-c1ccccn1
BDBM50067107 O=C(Nc1nc(nc2ccccc12)-c1ccccn1)c1ccccc1
BDBM50067108 NC=Nc1nc(nc2ccccc12)-c1ccccn1 |w:1.0|
BDBM50067109 O=c1[nH]c(nc2ccccc12)-c1ccccn1
BDBM50067110 Cc1cccc(C)c1C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067111 Cc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067112 FC(F)(F)C(=O)Nc1nc(nc2ccccc12)-c1ccccn1
BDBM50067113 Clc1ccc(cc1Cl)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067114 Clc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067116 COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50067117 COc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccn1
BDBM50067085 CC(=O)N(C(C)=O)c1nc(cc2ccccc12)-c1ccccn1
BDBM50067086 Cc1cccc(c1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1 |w:9.10|
BDBM50067087 NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccc(Cl)c(Cl)c1 |w:2.2|
BDBM50067088 COc1cccc(c1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1 |w:10.11|
BDBM50067089 NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1 |w:2.2|
BDBM50067090 Cc1cccc(C)c1C(=O)N(C(=O)c1c(C)cccc1C)c1nc(cc2ccccc12)-c1ccccn1
BDBM50067091 O=c1[nH]c(cc2ccccc12)-c1ccccn1
BDBM50067092 Cc1ccc(cc1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1 |w:9.10|
BDBM50067093 CCc1nc(cc2ccccc12)-c1ccccn1
BDBM50273311 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
BDBM50080398 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080399 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12
BDBM50080390 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50196542 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50116381 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1Cc1ccccc1
BDBM50116382 CC(C)Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
BDBM50116383 CC(C)(C)c1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
BDBM50116384 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CC1
BDBM50116385 COC(=O)\C=C\Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
BDBM50215113 CNC(=O)[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50215114 CNC(=O)[C@]12CO[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12
BDBM50215115 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50241446 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccs3)ncnc12 |r|
BDBM50054664 CCO\C([O-])=C1\C(\C=C\c2ccccc2)C(C(=[OH+])OCC)=C(C)N=C1c1ccc(cc1)[N+]([O-])=O |c:24,t:21|
BDBM50054665 CCOC(=O)C1C(CC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:14,16|
BDBM50054666 CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:19,21|
BDBM50054667 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccsc1 |c:21,23|
BDBM50116458 Cn1c(nc2NC(=O)N3CCN=C3c12)-c1ccccc1 |c:11|
BDBM50008874 Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
BDBM50102284 O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccccc1
BDBM50102286 O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccco1
BDBM50102287 O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccco1
BDBM50102288 Cn1c2ccccc2n2c1nnc(-c1ccco1)c2=O
BDBM50186587 CCCc1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50116467 CN1c2nc(-c3ccccc3)n(C)c2C2=NCCN2C1=O |t:16|
BDBM50271580 COc1ccc(cc1)-n1nc2c(OCc3ccccc3)nc3ccccc3n2c1=O
BDBM50256892 CCCn1cnc2ncnc(N)c12
BDBM50256894 CC(C)n1cnc2ncnc(N)c12
BDBM50256895 CC(C)n1c(Br)nc2c(N)ncnc12
BDBM50256896 CCC(C)n1cnc2c(N)ncnc12
BDBM50059377 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCCCc2ccccc2)=C(N=C1C)c1ccccc1 |c:29,31|
BDBM50190454 CCn1cc2C3NC(=NN3C(NC(=O)Nc3ccccc3OC)=Nc2n1)c1ccco1 |c:7,24|
BDBM50034513 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1
BDBM50257075 O=C(N(C(=O)c1ccccc1)c1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
BDBM50257097 Nc1ncnc2n(CCc3ccccc3)cnc12
BDBM50256897 CCC(C)n1cnc2ncnc(N)c12
BDBM50256898 CCC(C)n1c(Br)nc2c(N)ncnc12
BDBM50034536 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(N)=O
BDBM50218905 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)C(c1ccccc1)c1ccccc1
BDBM50218906 O=c1[nH]c2ccccc2c2cn(Cc3ccccc3)nc12
BDBM50218907 COc1ccc(cc1)-n1cc2c(n1)c(nc1ccccc21)N(C(=O)c1ccccc1)C(=O)c1ccccc1
BDBM50218908 COc1ccc(cc1)-n1cc2c(n1)c(NC(C)=O)nc1ccccc21
BDBM50218909 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)C(c1ccccc1)c1ccccc1)nc1ccccc21
BDBM50218910 COc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218911 COc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218912 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
BDBM50218913 Cc1cccc(c1)-n1cc2c(n1)c(nc1ccccc21)N(C(=O)c1ccccc1)C(=O)c1ccccc1
BDBM50218914 Cc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218915 COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)C(c1ccccc1)c1ccccc1)nc1ccccc21
BDBM50218916 COc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
BDBM50218917 Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
BDBM50276869 Fc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50202528 CCc1nn(C2CCCC2)c-2c1CCn1c(nnc-21)-c1cccs1
BDBM50011596 C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21
BDBM50008415 OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50053925 Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50053926 CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053927 CCOC(=O)C1C(\C=C\c2ccccc2)c2cc(C(=O)OCC)c(C)cc2N=C1c1ccccc1 |c:29|
BDBM50053928 CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053929 Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50170831 C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
BDBM50170832 C1CCC(CC1)Nc1nc(NN2CCC(CC2)c2ccccc2)nc2nc[nH]c12
BDBM50170834 C1CC1Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
BDBM50170836 C(Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)c1ccccc1
BDBM50170837 C1CN(CCO1)c1ccc(Nc2nc(NC3CCCCCCC3)c3[nH]cnc3n2)cc1
BDBM50170838 C1CN(CCO1)c1ccc(Nc2nc(NC3CCCCCC3)c3[nH]cnc3n2)cc1
BDBM50067099 COc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50170945 CCc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
BDBM50271449 O=c1n(nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50065776 COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50065777 Clc1ccc2nc(NC(=O)CCCCC(=O)OCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065778 Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1I
BDBM50065779 CC(C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)(c1ccccc1)c1ccccc1
BDBM50065780 Clc1ccc2nc(NCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50224360 Clc1cccc(c1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50224361 Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(Cl)cc1)c2=O
BDBM50065756 Clc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50008405 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50258620 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
BDBM50150762 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12
BDBM50150763 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Cl)cc3)nc12
BDBM50150764 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12
BDBM50150765 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12
BDBM50150766 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12
BDBM50150767 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12
BDBM50054679 CCOC(=[OH+])C1=C(C)N=C(\C(C1\C=C\c1ccc(cc1)[N+]([O-])=O)=C(\[O-])OCc1ccccc1)c1ccccc1 |c:5,8|
BDBM50054681 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
BDBM50054682 CCO\C([O-])=C1\C(\C=C\c2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
BDBM50054683 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(C)cc1 |c:21,23|
BDBM50119132 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50053931 Clc1ccc2nc(NC(=O)c3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
BDBM50053932 CCCn1c2ccc(Cl)cc2c2nc(nn2c1=O)-c1ccco1
BDBM50053933 CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053934 CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053935 Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccc(Br)o1
BDBM50053936 NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053923 CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053924 CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
BDBM50117109 Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
BDBM50074235 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50074236 CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50065781 NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065782 Clc1ccc2nc(NC(=O)Cc3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
BDBM50102282 O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1
BDBM50134814 NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50149137 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
BDBM50065757 C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
BDBM50065758 CC(C)(C)OC(=O)NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065763 NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065764 NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065765 CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065766 Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50065767 Clc1cccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
BDBM50065768 Clc1ccc2nc(NC(=O)Cc3ccccc3I)n3nc(nc3c2c1)-c1ccco1
BDBM50065769 Clc1ccc2nc(NC(=O)CCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065771 OC(=O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065772 COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065773 COC(=O)CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065774 C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
BDBM50065775 NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50224362 O=C(NCc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50224363 Cc1ccc(cc1)-c1nn2c(N)nc3ccc(Cl)cc3n2c1=O
BDBM50224364 COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50224347 COc1ccc(cc1)-c1nn2c(N)nc3ccccc3n2c1=O
BDBM50224348 COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(Cl)cc1)c2=O
BDBM50224349 Cc1ccc(cc1)-c1nn2c(N)nc3ccccc3n2c1=O
BDBM50224357 Nc1nc2ccccc2n2n1nc(-c1ccc(F)cc1)c2=O
BDBM50224358 Clc1cccc(c1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
BDBM50224359 COc1ccc(NC(=O)Nc2nc3ccccc3n3n2nc(-c2ccccc2)c3=O)cc1
BDBM50001884 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
BDBM50150074 Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N
BDBM50150075 COc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
BDBM50150076 COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
BDBM50118803 O[C@@H]1[C@H](O)[C@]2(CCNC2=O)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50118804 OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50118805 CNC(=O)C12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50118806 OCC12CC1C(C1OC21)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50118807 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50118808 OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50224353 O=C(Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1
BDBM50224354 O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2n1nc(-c1ccccc1)c2=O)c1ccccc1
BDBM50224355 COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
BDBM50224356 Nc1nc2ccccc2n2n1nc(-c1ccc(Cl)cc1)c2=O
BDBM50224365 Clc1cccc(NC(=O)Nc2nc3ccccc3n3n2nc(-c2ccccc2)c3=O)c1
BDBM50215109 CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(N)ncnc12
BDBM50215110 CNC(=O)[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50034516 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1
BDBM50034531 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
BDBM50034533 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1
BDBM50034540 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1
BDBM50004927 OC(=O)[C@@H]1C[C@H](CP(O)(O)=O)CCN1
BDBM50276160 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50009680 Nc1ncnc2n(cnc12)C1CCCC1
BDBM50163564 CCCn1c(=O)n(Cc2ccccc2)c2nc([nH]c2c1=O)C1CCCC1
BDBM50276107 COc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50182315 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1NS(C)(=O)=O)n1cnc2c(NC)ncnc12
BDBM50182316 CCNC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC)n1cnc2c(NC)ncnc12
BDBM50182317 CNC(=O)[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC)ncnc12
BDBM50182318 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCOCC3)ncnc12
BDBM50205703 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC(C)O
BDBM50205704 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
BDBM50205705 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
BDBM50205706 CONc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50074228 CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074230 CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074231 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50051361 CSc1sc(C(=O)NN)c2CCC=Cc12 |c:12|
BDBM50051362 CC1C2C(Cc3ccccc3)NC(=O)C22C(\C=C\CC(C)CC(C)(O)\C=C/C2OC(C)=O)C(O)C1=C |c:27,t:18|
BDBM50051363 OC12CCCCC1=Nc1ccccc21 |c:7|
BDBM50051364 Clc1ccc2oc(cc(=O)c2c1)-c1ccccc1
BDBM50074218 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1cccc(F)c1
BDBM50074219 CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
BDBM50074223 CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
BDBM50074224 CCCOC(=O)c1c(CCC)c(C(=O)SCCOC2CCCCO2)c(CC)nc1-c1ccccc1
BDBM50000766 CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50000788 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
BDBM50095790 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCC1)-c1cccc(F)c1
BDBM50095793 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(F)c1
BDBM50052388 CCCC1C(C(=O)OC)C(C)=NC(C)=C1C(=O)OCC |c:10,13|
BDBM50052390 CCOC(=O)C1=C(C)N=C(C)C(C1CC)C(=O)OC |c:5,t:8|
BDBM50052391 CCOC(=O)C1=C(C)N=C(C)C(C1CCc1ccccc1)C(=O)OC |c:5,t:8|
BDBM50052393 COC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(C)N=C1C |c:21,t:18|
BDBM50052394 CCOC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OC |w:22.24,c:5,t:8|
BDBM50052395 COCCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:7,t:10|
BDBM50052396 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(OC)cc1)C(=O)OC |c:5,t:8|
BDBM50052397 CCCCC1=C(C(C)C(C(=O)OCC)C(C)=N1)C(=O)OCC |c:15,t:4|
BDBM50186598 Cc1ccc(cc1)-c1nc(-c2ccc(C)cc2)c2[nH]cnc2n1
BDBM50159975 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1
BDBM50186588 C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50186589 COc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
BDBM50186590 CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50186591 COc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
BDBM50059386 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OC(C)(C)C)=C(N=C1C)c1ccccc1 |c:23,25|
BDBM50176055 CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
BDBM50176056 Nc1ncnc2n(cnc12)C1CC(O)C(COP(O)(=S)OP(O)(=O)OP(O)(O)=O)O1
BDBM50176058 CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
BDBM50009263 CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
BDBM50118812 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50118813 CNC(=O)[C@H]1O[C@H]([C@@H]2O[C@H]12)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50176050 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
BDBM50009697 Nc1ncnc2n(CCO)cnc12
BDBM50139871 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50009681 CCn1cnc2c(N)ncnc12
BDBM50254003 COc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1
BDBM50254004 COc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50254005 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C#N)c2n1
BDBM50254006 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)C#N)c2n1
BDBM50091132 Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
BDBM50091133 Nc1nc2ccc(Cl)cc2c2cn(nc12)-c1ccccc1
BDBM50091134 Cn1c2ccccc2c2cn(nc2c1=O)-c1ccccc1
BDBM50091135 Nc1nc2ccccc2c2cn(nc12)-c1ccc(Cl)cc1
BDBM50091136 O=C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091137 Clc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50091139 Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
BDBM50091141 Fc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50182321 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3ccccc3)ncnc12
BDBM50177308 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N(C)C
BDBM50177309 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50100416 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(Cl)nc12
BDBM50100417 OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NC3CCCC3)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|
BDBM50100419 CCNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)ncnc12
BDBM50183519 Cn1cc2c(n1)nc(NC(=O)Nc1ccc3ccccc3n1)n1nc(nc21)-c1ccco1
BDBM50183520 Cn1cc2c(n1)nc(NC(=O)Nc1ccc[n+](C)c1)n1nc(nc21)-c1ccco1
BDBM50183521 Cn1cc2c(n1)nc(NC(=O)[NH+]=c1ccn(C)cc1)n1nc(nc21)-c1ccco1 |(-10.58,-30.28,;-9.82,-28.94,;-8.3,-28.76,;-7.99,-27.26,;-9.33,-26.5,;-10.46,-27.54,;-9.32,-24.95,;-7.99,-24.17,;-7.99,-22.62,;-6.66,-21.85,;-6.66,-20.31,;-5.32,-22.62,;-3.98,-21.85,;-3.98,-20.32,;-2.65,-19.55,;-1.31,-20.32,;.02,-19.54,;-1.3,-21.86,;-2.64,-22.63,;-6.66,-24.95,;-5.19,-24.47,;-4.29,-25.71,;-5.19,-26.96,;-6.66,-26.49,;-2.74,-25.71,;-1.84,-24.46,;-.38,-24.91,;-.37,-26.48,;-1.83,-26.96,)|
BDBM50183522 Cc1sccc1NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50100423 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50100425 CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50254932 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC#C)c(=O)c23)[nH]1
BDBM50254933 CCOC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50186983 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM50186984 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1
BDBM50186985 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccc(OC)cn1
BDBM50186989 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1
BDBM50086157 Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
BDBM50219389 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50267476 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:15:16:20.19:22|
BDBM50253991 Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1
BDBM50108034 CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1
BDBM50108035 CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50108036 CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50205279 c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50251146 Cc1cc2[nH]c3cccnc3c2c(C)c1O
BDBM50251147 Cc1cc2n(C)c3cccnc3c2c(C)c1O
BDBM50254692 FC(F)(F)c1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
BDBM50254693 FC(F)(F)c1cccc(c1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50254694 FC(F)(F)c1ccc(cc1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50256924 O=c1n(nc2n1c1cccnc1[nH]c2=O)-c1ccccc1
BDBM50108028 Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50208804 Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208807 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(OCCc3c[nH]c4ccccc34)nc12
BDBM50208808 Nc1nc(OCCn2nnc3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208809 Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208810 Nc1nc(OCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208782 Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208783 Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208784 Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208785 Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208786 Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208787 Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208788 Nc1nc(OCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208789 CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50208790 Cc1ccc(cc1)S(=O)(=O)n1cc(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c2cc(Br)ccc12
BDBM50208791 Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208792 Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50253987 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1
BDBM50253988 Cc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1
BDBM50253989 Cc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50253990 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(F)(F)F)c2n1
BDBM50254007 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+]([O-])=O)c2n1
BDBM50254008 Nc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50254009 Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
BDBM50254010 NCc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
BDBM50254011 Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c(F)c1
BDBM50268107 CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1
BDBM50268109 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
BDBM50268110 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1
BDBM50272033 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccncc1
BDBM50097439 O=C(Nc1nc(cc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50097440 O=C(Nc1nc(ns1)-c1ccccc1)c1ccccc1
BDBM50086165 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
BDBM50086166 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1
BDBM50086167 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
BDBM50086168 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
BDBM50086169 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(O)=O)cc1
BDBM50086170 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
BDBM50186993 CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccn1
BDBM50205280 CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50268085 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1
BDBM50238959 CC(C)c1nc(-c2nccs2)c2sccc2n1
BDBM50207816 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
BDBM50158774 O=C(NC1CCCCC1)Nc1nc2nn(CC3CCCCC3)cc2c2nc(nn12)-c1ccco1
BDBM50158775 CC(C)CCn1cc2c(n1)nc(NC(=O)NC(C)C)n1nc(nc21)-c1ccco1
BDBM50158776 CC(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50158777 Cn1cc2c(n1)nc(NC(=O)NC1CCCCC1)n1nc(nc21)-c1ccco1
BDBM50158778 CC(C)NC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50158779 Nc1nc2nn(CC3CCCCC3)cc2c2nc(nn12)-c1ccco1
BDBM50158780 CCCn1cc2c(n1)nc(NC(=O)NC(C)(C)C)n1nc(nc21)-c1ccco1
BDBM50158781 CC(C)CCn1cc2c(n1)nc(NC(=O)NC1CCCCC1)n1nc(nc21)-c1ccco1
BDBM50158782 CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50241166 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50202561 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)ncnc12 |r|
BDBM50202562 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3nc(cn3C)[N+]([O-])=O)ncnc12 |r|
BDBM50202563 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Cl)cc3)ncnc12 |r|
BDBM50202564 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)nc(Cl)nc12 |r|
BDBM50253999 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1
BDBM50254000 Cc1ccc(o1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12
BDBM50254001 Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1
BDBM50254002 Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1
BDBM50086155 O=c1n(nc2c(NC3CCCC3)nc3ccccc3n12)-c1ccccc1
BDBM50086156 Cc1ccc(cc1)-n1nc2n(c3ccccc3n(C)c2=O)c1=O
BDBM50254012 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1
BDBM50254013 Cc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N
BDBM50211679 [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
BDBM50211680 N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
BDBM50211681 COc1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
BDBM50211682 O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c[nH]1
BDBM50211683 O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1
BDBM50211684 COc1ncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
BDBM50211685 N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
BDBM50252829 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50140950 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)nn1C
BDBM50140951 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3C(F)(F)F)cc2)nn1C
BDBM50140953 CCCn1c2nc(-c3ccc(N)cc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50140954 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)cc2)nn1C
BDBM50140955 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc3OCOc3c2)nn1C
BDBM50140956 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(=O)OCC)nn1C
BDBM50140957 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)nn1C
BDBM50140958 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)nn1C
BDBM50140959 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)N2CCOCC2)nn1C
BDBM50150077 Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccccc2)c1C#N
BDBM50150078 Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2cccc(O)c2)c1C#N
BDBM50097441 COc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1
BDBM50208793 C[C@@H](CCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
BDBM50208794 Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208796 COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
BDBM50208797 Nc1nc(OCCc2c[nH]c3cccc(Br)c23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208798 Nc1nc(OCCc2ccccc2F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208799 Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208800 Nc1nc(OCCc2cccs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208801 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1
BDBM50208803 COc1ccc2[nH]c(C)c(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
BDBM50042206 C=CCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50097421 COc1ccc(cc1)C(=O)Nc1cc(ncn1)-c1ccccc1
BDBM50097422 O=C(Nc1nc(ns1)-c1ccccc1)Nc1ccccc1
BDBM50097423 COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50086144 Cc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
BDBM50086147 Cc1cccc(c1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50086148 O=c1n(nc2c(NCCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50086149 O=C(Cc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086150 Clc1ccc(cc1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
BDBM50086151 CCCn1c2ccccc2n2c(nn(-c3ccccc3)c2=O)c1=O
BDBM50086153 Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086154 Cc1cccc(c1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50086127 Nc1nc2ccccc2n2c1nn(-c1cccc(F)c1)c2=O
BDBM50086128 COc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50086129 Cc1ccc(cc1)N1CN2C(=N1)C(=O)Nc1ccccc21 |c:11|
BDBM50086130 Cc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
BDBM50086131 Cc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50086132 Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
BDBM50086133 O=c1n(nc2n1c1ccccc1[nH]c2=O)-c1ccccc1
BDBM50086134 CCC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086135 Clc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50086136 O=c1n(nc2c(NCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50086137 Cc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50086138 Fc1cccc(c1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50086139 O=c1n(nc2n1c1ccccc1n(CC#C)c2=O)-c1ccccc1
BDBM50086140 O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
BDBM50187673 COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
BDBM50158783 Cc1ccc(NC(=O)Nc2nc3nn(CC4CCCCC4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50170815 CCNc1nc(NC2CCCCC2)c2[nH]cnc2n1
BDBM50170816 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12
BDBM50170817 Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12
BDBM50170818 C1CCC(CC1)Nc1nc(Sc2ccccc2)nc2nc[nH]c12
BDBM50170820 CCc1ccccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
BDBM50170824 C1CCC(CC1)Nc1nc(Nc2ccc3ccccc3c2)nc2nc[nH]c12
BDBM50170825 C1CC(C1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
BDBM50170826 Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc12
BDBM50170827 C1CC2CC1CC2Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 |TLB:7:6:3:1.0|
BDBM50170828 C1CCC(C1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
BDBM50170829 CCNc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
BDBM50202571 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)o3)ncnc12 |r|
BDBM50086126 Nc1nc2ccccc2n2c1nn(-c1ccc(Cl)cc1)c2=O
BDBM50257113 COc1ccc(cc1)-n1nc2c(nc3ncccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
BDBM50140969 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3cccc(c3)C(F)(F)F)cc2)nn1C
BDBM50239036 Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1
BDBM50267474 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50267475 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:15:16:20.19:22|
BDBM50268131 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
BDBM50268132 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
BDBM50271452 CS(=O)(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50308490 CS(=O)(=O)c1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50308491 Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50308493 COc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50308494 O=C(Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1)c1ccccc1
BDBM50308495 CS(=O)(=O)c1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
BDBM50308496 Cc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
BDBM50308497 COc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
BDBM50308498 O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccccc1
BDBM50308499 CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
BDBM50205286 C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50205287 Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50205289 CC(C)(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50205290 CCCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50308500 CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
BDBM50205282 O=c1[nH]c2nc(cc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50205283 C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50205284 CCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50205285 CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50276941 Clc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50262266 Nc1nc(cc(-c2ccc3OCOc3c2)c1C#N)-c1ccco1
BDBM50179182 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CCC3CC4)ncnc12
BDBM50064697 Nc1nc2n(CCCc3ccc(O)c(O)c3)ncc2c2nc(nn12)-c1ccco1
BDBM50064698 Nc1nc2n(CCCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50082420 Clc1cccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
BDBM50082421 COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50082423 Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50082425 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50082426 Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
BDBM50219386 CC1(C)CC(CC(C)(C)N1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50097424 COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097425 O=C(Nc1nc(cs1)-c1ccccn1)Nc1ccccc1
BDBM50097426 OC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(9.15,-12.04,;10.26,-10.94,;9.83,-9.87,;8.52,-9.13,;9.01,-7.88,;9.36,-8.89,;10.73,-9.69,;9.01,-6.57,;10.16,-5.91,;7.86,-5.91,;7.86,-4.57,;9.08,-4,;9.08,-2.45,;6.66,-2.45,;6.66,-3.86,;10.19,-1.35,;11.69,-1.75,;12.77,-.64,;12.37,.86,;10.84,1.25,;9.76,.13,)|
BDBM50097427 CC(C)Oc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097428 O=C(Nc1nc(ns1)-c1ccccc1)C1CCCCC1
BDBM50097429 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097430 O=C(Nc1nc(cs1)-c1ccccn1)c1ccccc1
BDBM50052286 COC(=O)c1cc2c3ccccc3[nH]c(=O)n2n1
BDBM50052289 Cc1ccc(cc1)-c1cc2c3ccccc3[nH]c(=O)n2n1
BDBM50188569 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
BDBM50186979 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C#N)CC1
BDBM50186980 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1
BDBM50186981 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCOc1ccccn1
BDBM50202986 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50163004 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3c3ccccc3)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
BDBM50163008 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OCC(N)=O)nc(Cl)nc12
BDBM50163010 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)ncnc12
BDBM50117214 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(OC)c1
BDBM50183516 Cn1cc2c(n1)nc(NC(=O)Nc1ccoc1)n1nc(nc21)-c1ccco1
BDBM50060165 Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50221683 Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50163012 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(I)nc12
BDBM50163013 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(ccc3Cl)C#CCO)nc(Cl)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
BDBM50163016 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 |r|
BDBM50117222 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
BDBM50117223 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
BDBM50117224 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(O)cc1
BDBM50117225 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(C)cc1
BDBM50117226 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(C)c1
BDBM50117227 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(Cl)c1
BDBM50117228 CCCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
BDBM50117229 CCCCc1nc2ncnc2c2nc(Cc3ccccc3)[nH]n12
BDBM50117230 Cc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
BDBM50117231 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(F)cc1
BDBM50117232 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
BDBM50117233 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(C)(C)C
BDBM50117234 CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
BDBM50166743 N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1ccnc1
BDBM50163019 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3Cl)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|
BDBM50163017 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCO)nc(Cl)nc12
BDBM50163018 COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50205281 CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50271498 COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(S(C)(=O)=O)S(C)(=O)=O
BDBM50233102 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50233103 FC(F)(F)c1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
BDBM50233104 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50100420 Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50100421 OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50166735 Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
BDBM50166737 N#Cc1cccc(c1)-c1nc(Nc2cccnc2)sc1-n1cncn1
BDBM50166739 N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1
BDBM50180209 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50094678 Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(nn12)-c1ccco1
BDBM50094679 COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094680 CC(C)CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50094681 Clc1cccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)c1
BDBM50094682 [#6]\[#6](-[#6])=[#6]\[#6]-n1cc2c(n1)nc(-[#7])n1nc(nc21)-c1ccco1
BDBM50094683 Clc1cccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)c1
BDBM50094691 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094692 Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
BDBM50094693 CC(C)(C)n1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50094694 COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094695 [#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#7]-c2nc3nn(-[#6]\[#6]=[#6](\[#6])-[#6])cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094696 COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094697 COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094698 Clc1cccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)c1
BDBM50094699 CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50094700 COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50094701 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50233100 FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
BDBM50233101 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50028962 O=c1cc(oc2ccccc12)-c1ccccc1
BDBM50151188 Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F
BDBM50271450 COc1ccc(cc1)-n1nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n2c1=O
BDBM50271451 [O-][N+](=O)c1cccc2c1nc(NS(=O)(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50233087 O=c1[nH]c2nc([nH]c2c(=O)n1CC1CC1)-c1cnn(Cc2ccccc2)c1
BDBM50233088 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50233089 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50233090 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
BDBM50233091 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
BDBM50233092 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50233093 Clc1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
BDBM50233094 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50233096 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50233097 FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1
BDBM50233098 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50233084 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50233086 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
BDBM50180210 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50180211 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50166741 [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N
BDBM50166742 Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1
BDBM50233105 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
BDBM50233106 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50233107 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
BDBM50264213 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50273312 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
BDBM50140960 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(F)c(F)c2)nn1C
BDBM50140961 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(C)CC2)nn1C
BDBM50140962 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)nn1
BDBM50199290 CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2
BDBM50233109 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
BDBM50158761 CC(C)(C)NC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50158762 CCCCCNC(=O)Nc1nc2nn(CCC(C)C)cc2c2nc(nn12)-c1ccco1
BDBM50271578 Ic1cccc(NC(=O)Nc2nc3ccccc3n3c2nn(-c2ccccc2)c3=O)c1
BDBM50271579 O=c1n(nc2c(OCc3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50199289 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
BDBM50086142 O=c1n(nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12)-c1ccccc1
BDBM50086143 COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50179298 Cc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
BDBM50179299 CCc1nc2c3nc(C)[nH]c3c3nc(CC)[nH]c3c2[nH]1
BDBM50179300 O=c1n2CCCSc2nc2nn[nH]c12
BDBM50179301 CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21
BDBM50180232 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180233 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)N1CCOCC1
BDBM50180234 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50170821 C1CCCC(CCC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
BDBM50170822 C1CCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
BDBM50170823 CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
BDBM50170830 C1CCCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12
BDBM50158759 CCCCCCCCn1cc2c(n1)nc(NC(=O)NCCCCC)n1nc(nc21)-c1ccco1
BDBM50158760 CCCCCCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50158763 CCOC(=O)Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50158764 [NH3+]CCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50158765 CCCCCNC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50158766 CCCCCNC(=O)Nc1nc2nn(CC3CCCCC3)cc2c2nc(nn12)-c1ccco1
BDBM50158767 CCCCCCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)OCC)cc1)n1nc(nc21)-c1ccco1
BDBM50158768 CC(C)CCn1cc2c(n1)nc(NC(=O)CCCNC(=O)OC(C)(C)C)n1nc(nc21)-c1ccco1
BDBM50158769 CC(C)CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
BDBM50158770 CC(C)CCn1cc2c(n1)nc(NC(=O)NC(C)(C)C)n1nc(nc21)-c1ccco1
BDBM50158771 CCCn1cc2c(n1)nc(NC(=O)NC(C)C)n1nc(nc21)-c1ccco1
BDBM50179287 c1ccc2nc(cnc2c1)-c1nc2ncccc2[nH]1
BDBM50179289 CCc1nc2c3[nH]c(C)nc3c3nc(C)[nH]c3c2[nH]1
BDBM50179292 COc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
BDBM50179293 Clc1cc(Cl)c2[nH]c(nc2c1)-c1cnc2ccccc2n1
BDBM50179294 Oc1c2nnnc2nc2sccn12
BDBM50179295 c1ccc2nc(cnc2c1)-c1nc2ccncc2[nH]1
BDBM50179296 [O-][N+](=O)c1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
BDBM50179297 c1ccc2nc(cnc2c1)-c1nc2ncncc2[nH]1
BDBM50308486 Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
BDBM50308487 O=C(Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1)c1ccco1
BDBM50308488 Cc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
BDBM50308489 Cc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
BDBM50292322 CC1(C)CC(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(C)(C)N1[O] |w:4.4,^1:29|
BDBM50292323 CC1(C)N([O])C(C)(C)c2cc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |^1:4|
BDBM50267396 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:14:15:19.18:21|
BDBM50267397 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50140976 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)[C@@H](C)c2ccccc2)nn1C
BDBM50140977 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)CCC(O)=O)nn1C
BDBM50140978 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1
BDBM50140979 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
BDBM50140985 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(Cl)cc2)nn1C
BDBM50140986 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)CCCN)nn1C
BDBM50140987 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)nn1C
BDBM50140991 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(cc2)N(C)C)nn1C
BDBM50140993 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(O)cc2)nn1C
BDBM50140994 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)nn1C
BDBM50140995 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)n(C)n1
BDBM50140996 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)=O)nn1C
BDBM50140997 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(Cl)c2)nn1C
BDBM50140998 Cn1nc(cc1N)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50140999 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(CC(C)C)cc2)nn1C
BDBM50141000 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccncc2)nn1C
BDBM50141001 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)[C@H](C)c2ccccc2)nn1C
BDBM50141002 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)no1
BDBM50141003 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C(O)=O)n(C)n1
BDBM50212239 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
BDBM50309791 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCC#C |r|
BDBM50141008 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2cccc(Cl)c2)nn1C
BDBM50140992 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
BDBM50292319 CC1(C)CC(CC(C)(C)N1[O])Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:10|
BDBM50292320 CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |^1:4|
BDBM50292321 CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:4|
BDBM50140972 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(C)CC)nn1C
BDBM50140973 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(F)cc2)nn1C
BDBM50140974 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)n(C)n1
BDBM50140989 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccccc2)n(C)n1
BDBM50140990 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)cc2)no1
BDBM50158789 [NH3+]CCCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50158772 CCOC(=O)Cc1ccc(NC(=O)Nc2nc3nn(CC4CCCCC4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50158773 CCOC(=O)Cc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50256842 Cn1c(Br)nc2c(N)ncnc12
BDBM50256843 CCn1cnc2ncnc(N)c12
BDBM50140988 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)no1
BDBM50064694 Nc1nc2n(CCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064695 Nc1nc2n(CCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064696 Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
BDBM50064699 Nc1nc2n(Cc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064700 Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064701 Nc1nc2n(Cc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064702 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC
BDBM50066281 CCOC(=O)c1c(C)nc(C2CCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
BDBM50066283 CCOC(=O)c1c(C)nc(C2CCCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
BDBM50145226 CCCCc1nc2ccccc2c2nc(nn12)-c1ccccc1
BDBM50145228 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
BDBM50145229 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
BDBM50145230 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
BDBM50145231 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(OC)cc1
BDBM50165325 COc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
BDBM50049389 Cc1ccc(cc1)-c1cc(=O)c2c(C)c(C)c(C)cc2o1
BDBM50049391 Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
BDBM50049394 COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1
BDBM50049404 COc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM50049405 COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OC)c2=O
BDBM50049396 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(C)cc2o1
BDBM50049398 COc1ccc(cc1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OC
BDBM50095778 Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1
BDBM50095784 CCC(O)(CC)C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1
BDBM50202576 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)nc(Cl)nc12 |r|
BDBM50202577 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)nc(Cl)nc12 |r|
BDBM50202578 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)ncnc12 |r|
BDBM50165326 Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1
BDBM50165328 O=c1c(nn2n1c1ccccc1[nH]c2=O)-c1ccccc1
BDBM50165330 Cc1ccc(cc1)-c1nn2n(c3cc(Cl)ccc3[nH]c2=O)c1=O
BDBM50165331 Cc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
BDBM50165332 Clc1ccc(cc1)-c1nn2n(c3cc(Cl)ccc3[nH]c2=O)c1=O
BDBM50165335 Clc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
BDBM50165337 Fc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
BDBM50188562 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1
BDBM50097433 Ic1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50257095 Nc1ncnc2ncn(CC(O)CO)c12
BDBM50257098 Nc1ncnc2n(CCc3ccccc3)c(Br)nc12
BDBM50257114 [O-][N+](=O)c1cccc2c1[nH]c(=O)c1nn(-c3ccccc3)c(=O)n21
BDBM50182986 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#CC1=CCCCC1 |t:29|
BDBM50182987 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#Cc1ccc(OC)cc1
BDBM50182988 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC)nc(nc12)C#C[C@H](C)O
BDBM50117236 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cc(OC)c(OC)c(OC)c1
BDBM50117237 c1nc2c(nc(-c3ccccc3)n3nc(nc23)-c2ccccc2)[nH]1
BDBM50117238 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
BDBM50117239 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C
BDBM50117240 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccco1
BDBM50117221 CCCCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
BDBM50051230 Nc1nc2n[nH]cc2c2nc(nn12)-c1ccco1
BDBM50051234 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50081670 CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50081671 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50081672 CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C
BDBM50081673 CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50081674 CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)[n+](C)c1-c1ccccc1
BDBM50117241 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Br)cc1
BDBM50117242 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccnc1
BDBM50117235 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(SC)cc1
BDBM50081669 CCC[n+]1c(CC)c(C(=O)SCC)c(CC)c(C(=O)OCC)c1-c1ccccc1
BDBM50082416 CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50090850 NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50309784 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(CCNC(C)=O)nn1 |r|
BDBM50309785 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(CCCCN)nn1 |r|
BDBM50309786 CCN1\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCNC(=O)CCC#Cc3nc(NCc4cccc(Cl)c4)c4ncn([C@@H]5[C@H]6C[C@]6([C@@H](O)[C@H]5O)C(=O)NC)c4n3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O |r,c:9|
BDBM50309787 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(nn1)-c1cccc(c1)[N+]([O-])=O |r|
BDBM50309788 CNC(=O)[C@@]12C[C@@H]1[C@@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC#C |r|
BDBM50309789 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCNC(=O)CCCCC1SCC2NC(=O)NC12 |r|
BDBM50309790 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCc1cn(nn1)-c1cccc(c1)[N+]([O-])=O |r|
BDBM50268181 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1
BDBM50268182 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1
BDBM50162487 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc23)[C@](C)(O)[C@@H]1O
BDBM50048466 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50082417 CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50082418 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
BDBM50082419 COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50088469 CCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
BDBM50097434 O=C(Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50097435 COc1ccc(cc1)C(=O)Nc1cccc(n1)-c1ccccc1
BDBM50097436 Cc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50163021 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50163023 CNc1ncnc2n(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
BDBM50163026 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3ccc(N)c(I)c3)nc(Cl)nc12
BDBM50163027 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(SC)nc12
BDBM50163028 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12
BDBM50042208 Cn1c2nc[nH]c2c(=O)n(CC#C)c1=O
BDBM50042209 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50042215 O=c1[nH]c2nc[nH]c2c(=O)n1CCc1ccccc1
BDBM50042217 O=c1[nH]c2nc[nH]c2c(=O)n1CC#C
BDBM50276942 Clc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50276772 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1cccs1
BDBM50267393 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50256949 CC(C)Cn1cnc2ncnc(N)c12
BDBM50256950 CC(C)Cn1c(Br)nc2c(N)ncnc12
BDBM50256951 CCCCn1cnc2c(N)ncnc12
BDBM50256952 Nc1ncnc2n(C3CCCCC3)c(Br)nc12
BDBM50256953 CCCCn1c(Br)nc2c(N)ncnc12
BDBM50256954 Nc1ncnc2n(CCC=C)cnc12
BDBM50097437 COc1ccc(NC(=O)Nc2nc(cs2)-c2ccccn2)cc1
BDBM50166745 N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1
BDBM50088461 COc1cccc(NC(=O)Nc2nc(nc3ccccc23)-c2ccccc2)c1
BDBM50088462 O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
BDBM50088465 O=C(Nc1ccccc1)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50088466 COC(=O)C1=C2C=CC(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10|
BDBM50088467 O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccc1
BDBM50088468 O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccco1
BDBM50109461 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109462 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50140963 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(OC)c2)nn1C
BDBM50140964 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cc2)nn1C
BDBM50140965 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(O)c(OC)c2)nn1C
BDBM50140966 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(=O)Nc2cccc(OC)c2)cc1
BDBM50140967 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(OC)c(OC)c2)nn1C
BDBM50140968 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)nn1C
BDBM50257074 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ncccc3n2c1=O
BDBM50202572 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc[nH]3)nc(Cl)nc12 |r|
BDBM50202573 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccnc3)ncnc12 |r|
BDBM50202574 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(Br)o3)ncnc12 |r|
BDBM50202575 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)Cc3cccs3)nc(Cl)nc12 |r|
BDBM50088459 Cc1cc(C)nc(n1)-c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
BDBM50088460 Clc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1
BDBM50308501 CCOC(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
BDBM50308502 CNc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
BDBM50308503 CNc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
BDBM50308504 CNc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
BDBM50308505 COc1cc(cc(OC)c1OC)-c1nc(NC(C)=O)sc1-c1ccncc1
BDBM50308507 OC1CCC(CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |(25.44,4.86,;24.11,4.15,;24.1,2.61,;22.77,1.85,;21.43,2.63,;21.43,4.16,;22.77,4.93,;20.1,1.87,;20.1,.33,;18.77,-.45,;18.78,-1.98,;20.11,-2.75,;21.42,-1.98,;22.89,-2.46,;23.8,-1.22,;22.9,.03,;21.44,-.44,;17.45,-2.75,;16.11,-1.99,;14.78,-2.75,;14.78,-4.3,;16.11,-5.07,;17.45,-4.3,)|
BDBM50254695 Cc1cccc(c1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50271305 COC(=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2n2c1nn(-c1ccc(OC)cc1)c2=O
BDBM50268108 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
BDBM50268256 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM50268257 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50074237 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F
BDBM50074238 CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F
BDBM50074239 CCCOC(=O)c1c(CCC)c(C(=O)SCCO)c(CC)nc1-c1ccccc1
BDBM50268247 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
BDBM50268248 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM50054685 CCO\C([O-])=C1\C(\C=C\c2ccccc2[N+]([O-])=O)C(C(=[OH+])OCC)=C(C)N=C1c1ccccc1 |c:27,t:24|
BDBM50054686 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccc(OC)cc1 |c:21,23|
BDBM50054684 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
BDBM50202565 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cccs3)nc(Cl)nc12 |r|
BDBM50202566 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3sccc3C)nc(Cl)nc12
BDBM50202567 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(C)on3)nc(Cl)nc12 |r|
BDBM50202568 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccsc3)nc(Cl)nc12 |r|
BDBM50202569 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(on3)-c3ccccc3)nc(Cl)nc12 |r|
BDBM50202570 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)ncnc12 |r|
BDBM50059388 CCOCN1C(C)=C(C(C#Cc2ccccc2)C(C(O)=O)=C1c1ccccc1)C(=O)OCC |c:6,21|
BDBM50059389 CCO\C([O-])=C1\C(\C=C\c2ccc(cc2)[N+]([O-])=O)C(C(=[OH+])OCC=C)=C(C)N=C1c1ccccc1 |c:28,t:25|
BDBM50059390 CCOC(=O)C1C(c2cccs2)C(C(=O)OCC)=C(C)N=C1C |c:21,t:18|
BDBM50059391 CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1ccccc1 |c:12,14|
BDBM50059392 CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1ccncc1 |c:12,14|
BDBM50059393 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(cc2)C(=O)OCC(Cl)(Cl)Cl)=C(N=C1C)c1ccccc1 |c:35,37|
BDBM50254894 CC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
BDBM50254895 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c23)[nH]1
BDBM50254896 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCO)c(=O)c23)[nH]1
BDBM50254897 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCCO)c(=O)c23)[nH]1
BDBM50215111 OC[C@]12CN[C@H]([C@@H]1O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50215112 Nc1ncnc2n(cnc12)[C@@H]1O[C@@]2(CO)CN[C@@H]1[C@@H]2O
BDBM50205579 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccncc4)cc3)ncnc12
BDBM50152069 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
BDBM50152070 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1cccnc1
BDBM50258672 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1
BDBM50116366 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CCCCC1
BDBM50116367 CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)-c1ccccc1
BDBM50013685 CC(C)n1cnc2c(N)ncnc12
BDBM50182020 COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM50094687 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
BDBM50094688 CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50094689 CC(C)(C)n1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50094690 Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50276769 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CCC1
BDBM50276770 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CCCC1
BDBM50218918 COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
BDBM50218919 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
BDBM50218920 Cc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218921 Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)C(c1ccccc1)c1ccccc1)nc1ccccc21
BDBM50218922 O=c1[nH]c2ccccc2c2cn(nc12)-c1ccccc1
BDBM50218923 COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
BDBM50218924 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccc(C)cc1
BDBM50218925 Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
BDBM50218926 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1cccc(C)c1
BDBM50218927 O=C(N(C(=O)c1ccccc1)c1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1
BDBM50218928 [O-][N+](=O)c1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50218929 Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)NCc1ccccc1)nc1ccccc21
BDBM50218930 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)NCc1ccccc1)nc1ccccc21
BDBM50268149 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
BDBM50268150 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
BDBM50268151 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
BDBM50258621 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
BDBM50141004 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(F)c2)nn1C
BDBM50158784 [NH3+]CC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50158785 CCCCCCCCn1cc2c(n1)nc(NC(=O)NC1CCCCC1)n1nc(nc21)-c1ccco1
BDBM50158786 CCCCCCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
BDBM50158787 CC(C)CCn1cc2c(n1)nc(NC(=O)CCC[NH3+])n1nc(nc21)-c1ccco1
BDBM50158788 CC(C)(C)NC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50105105 Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
BDBM50105109 Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
BDBM50105112 COc1ccc(CN2CCN(CC2)C(=O)CCn2cc(C)c3ccccc23)cc1OCc1ccccc1
BDBM50105114 COc1ccc(SCCC(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1
BDBM50233076 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50233077 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50233078 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50233080 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50233081 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50233082 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50233083 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
BDBM50162479 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50162482 O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50268232 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
BDBM50268233 Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CC#C)c(=O)c2[nH]1
BDBM50268234 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
BDBM50118221 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
BDBM50054668 CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24|
BDBM50054669 [#6]-[#6]-[#8]-[#6](=O)-[#6]-1-[#6](\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6](-[#6](=O)-[#8]-[#6]-[#6])=[#6](-[#7]=[#6]-1-[#6])-c1ccccc1 |c:28,30|
BDBM50054673 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
BDBM50054674 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
BDBM50054676 COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccccc1[N+]([O-])=O)=C([O-])OCCN(C)Cc1ccccc1 |w:21.23,c:4,t:7|
BDBM50054677 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
BDBM50059378 CCOC(=[OH+])C1=C(C)N=C(\C(C1C#Cc1ccccc1)=C(\[O-])OCc1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:5,8|
BDBM50059379 CCOC(=O)C1C(c2ccco2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:18,20|
BDBM50059380 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)SCC)=C(N=C1C)c1ccccc1 |c:21,23|
BDBM50059381 CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)SCC)c1ccccc1 |t:5,7|
BDBM50059382 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2cccc(I)c2)=C(N=C1C)c1ccccc1 |c:28,30|
BDBM50059383 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCC(OC)c2ccccc2)=C(N=C1C)c1ccccc1 |c:30,32|
BDBM50059384 CCOC(=O)C1=C(N=C2CCCC(=O)C2C1C#Cc1ccccc1)c1ccccc1 |t:5,7|
BDBM50079452 CCOC(=O)C1[C@@H](C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
BDBM50078536 CCOC(=O)c1nc2n(n1)c1ccc(Cl)cc1[nH]c2=O
BDBM50059387 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(C)cc2)=C(N=C1C)c1ccccc1 |c:28,30|
BDBM50086145 O=C(Nc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086146 CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50182322 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(OC)ccc3OC)ncnc12
BDBM50182323 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
BDBM50182319 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(O)=O)ncnc12
BDBM50177307 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50006710 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50105061 Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50236738 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50144902 COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc12 |w:20.21,3.3|
BDBM50152073 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
BDBM50152074 CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50152075 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1
BDBM50152076 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1
BDBM50152077 CCCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50152078 CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
BDBM50152079 COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50176736 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)Nc2ccccc2Cl)c1
BDBM50176740 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
BDBM50176741 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(OC)c2)c1
BDBM50176742 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1
BDBM50065755 CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50205584 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc5OCOc5c4)cc3)ncnc12
BDBM50205585 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)ncnc12
BDBM50205586 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)ncnc12
BDBM50205587 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)ncnc12
BDBM50097431 COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50097432 COC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(11.74,-12.58,;11.74,-11.03,;10.26,-10.63,;9.83,-9.57,;8.52,-8.82,;9.01,-7.58,;9.36,-8.59,;10.73,-9.39,;9.01,-6.26,;10.16,-5.6,;7.86,-5.6,;7.86,-4.26,;9.08,-3.7,;9.08,-2.15,;6.66,-2.15,;6.66,-3.56,;10.19,-1.04,;9.76,.44,;10.84,1.54,;12.37,1.17,;12.77,-.34,;11.69,-1.44,)|
BDBM50196543 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cc(cn1)C(O)=O
BDBM50196544 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ncc4ccccc4n3)nc(nc12)-n1cc(CO)cn1
BDBM50196545 CNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196546 CNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196547 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C(F)(F)F)nc(nc12)-n1cc(CO)cn1
BDBM50034171 CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50196548 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
BDBM50196549 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cccn1
BDBM50190706 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
BDBM50109445 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
BDBM50109446 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
BDBM50109447 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50109448 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
BDBM50109449 CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109453 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109454 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50109455 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50109456 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109457 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50109458 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50109459 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
BDBM50109460 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
BDBM50109488 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
BDBM50109489 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1
BDBM50084017 CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1
BDBM50084018 CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
BDBM50084019 COc1ccc(cc1)-c1csc(NC2OC(=O)c3c2ccc(OC)c3OC)n1
BDBM50109467 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
BDBM50109468 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50088463 COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccn1
BDBM50088464 CC(C)(C)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
BDBM50116368 CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O
BDBM50116369 O=c1[nH]c(=O)c2c(nc3cc(ccn23)-c2ccccc2)n1Cc1ccccc1
BDBM50116370 CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
BDBM50116371 C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
BDBM50116372 CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C
BDBM50116373 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C
BDBM50116374 COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
BDBM50116375 CCCn1c(=O)n(Cc2ccc(OC)cc2)c2nc3ccccn3c2c1=O
BDBM50116376 CCCn1c(=O)n(C)c2nc3ccccn3c2c1=O
BDBM50116377 CCCn1c(=O)n(Cc2cccc(C)c2)c2nc3ccccn3c2c1=O
BDBM50116378 O=c1[nH]c(=O)c2c(nc3ccccn23)n1Cc1ccccc1
BDBM50116379 CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
BDBM50116380 COc1ccc(Cn2c(=O)n(Cc3ccccc3)c3nc4ccccn4c3c2=O)cc1
BDBM50109469 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
BDBM50109470 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1
BDBM50109471 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
BDBM50109472 Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50109473 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109474 COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1
BDBM50109475 CCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
BDBM50109476 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
BDBM50109477 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
BDBM50109480 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
BDBM50109481 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109482 CCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109483 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50109484 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
BDBM50109485 CCCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50109486 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50109487 COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50081675 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1
BDBM50081676 CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50081677 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)[n+](C)c1-c1ccccc1
BDBM50081678 CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1
BDBM50081679 CCOC(=O)c1c(CC)c(C(=O)SCC)c(C)[n+](C)c1-c1ccccc1
BDBM50081680 CCSC(=O)c1c(CC)c(C(=O)OCCF)c(-c2ccccc2)[n+](C)c1CC
BDBM50081681 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](CC)c1-c1ccccc1
BDBM50108042 Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50108043 Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
BDBM50108039 Nc1nc2n(CCCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50108040 Nc1nc2n(CCCc3ccc(cc3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1
BDBM50113234 Cn1c2nc[nH]c2c(=O)n(CCCc2ccccc2)c1=O
BDBM50113235 Cn1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
BDBM50199301 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2
BDBM50266416 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50109478 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
BDBM50256998 Nc1ncnc2n(cnc12)C1CC1
BDBM50256999 Nc1ncnc2n(CC=C)c(Br)nc12
BDBM50257000 Nc1ncnc2n(cnc12)C1CCC1
BDBM50257001 Nc1ncnc2n(C3CCC3)c(Br)nc12
BDBM50275730 CCO\C(O)=C1\C(C(OC)OC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:17,19|
BDBM50275734 CCOC(=O)C1=C(N=C(C)\C(C1CC)=C(\O)SCC)c1ccccc1 |t:5,7|
BDBM50256925 COc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O
BDBM50256926 Fc1ccc(cc1)-n1nc2n(c3cccnc3[nH]c2=O)c1=O
BDBM50085371 COc1ccc(NC(=O)Nc2nc3nn(CC=C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50309798 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(CCCCCCC(=O)NCCOCOCOCOCNC2SCC3NC(=O)NC23)nn1 |r|
BDBM50309799 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(CCCCCCNC(=O)c2ccc(c(c2)C([O-])=O)-c2c3ccc(N)c(c3oc3c(c(=[NH2+])ccc23)S(O)(=O)=O)S(O)(=O)=O)nn1 |r,wU:7.13,4.3,wD:8.9,10.12,6.5,(-7.79,-16.4,;-6.46,-17.17,;-5.12,-16.4,;-3.8,-17.18,;-5.11,-14.87,;-6.46,-14.1,;-5.12,-13.32,;-3.64,-12.85,;-2.74,-14.11,;-1.2,-14.12,;-3.65,-15.35,;-2.89,-16.68,;-2.85,-11.52,;-3.76,-10.27,;-2.86,-9.01,;-1.39,-9.48,;-.05,-8.72,;-.05,-7.18,;1.29,-6.41,;1.3,-4.87,;-.03,-4.11,;-.03,-2.57,;1.31,-1.8,;2.64,-2.57,;3.97,-1.81,;2.64,-4.11,;1.28,-9.5,;1.28,-11.04,;-.05,-11.8,;-1.38,-11.04,;2.61,-11.81,;3.94,-12.58,;5.27,-13.35,;5.27,-14.89,;6.6,-15.66,;7.94,-14.89,;9.27,-15.66,;9.75,-17.12,;11.29,-17.12,;12.07,-18.45,;13.61,-18.43,;14.4,-19.76,;15.94,-19.73,;16.72,-21.05,;18.26,-21.04,;19.02,-19.69,;20.56,-19.68,;21.34,-21,;21.31,-18.33,;20.52,-17.03,;21.26,-15.68,;22.81,-15.66,;23.6,-16.98,;22.85,-18.32,;24.92,-17.75,;26.26,-16.97,;24.93,-19.29,;23.56,-14.32,;22.77,-13,;21.23,-13.01,;20.46,-11.69,;21.21,-10.34,;20.43,-9.01,;22.76,-10.33,;23.54,-11.66,;25.08,-11.64,;25.85,-12.97,;27.38,-12.95,;28.16,-14.26,;29.7,-14.23,;27.4,-15.59,;25.88,-15.61,;25.1,-14.3,;28.13,-11.6,;27.35,-10.28,;29.46,-10.83,;28.89,-12.93,;23.51,-8.99,;22.73,-7.66,;24.84,-8.21,;24.84,-9.75,;11.76,-15.66,;10.52,-14.75,)|
BDBM50309800 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(CCCCCCNC2SCC3NC(=O)NC23)nn1 |r|
BDBM50109439 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50109440 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
BDBM50109441 Cn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
BDBM50109442 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
BDBM50109443 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50109444 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50109450 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1
BDBM50109451 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
BDBM50109479 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50109452 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1
BDBM50254353 CCc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N
BDBM50254354 CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N
BDBM50254355 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1
BDBM50109436 CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1
BDBM50109437 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
BDBM50109438 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
BDBM50199303 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2
BDBM50254356 CNc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
BDBM50254357 CC(=O)Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1
BDBM50271537 COc1ccc(cc1)-n1nc2c(NC(=O)NCc3ccccc3)nc3ccccc3n2c1=O
BDBM50271538 [O-][N+](=O)c1cccc2c1nc(NC(=O)NCc1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50271539 O=C(NC(=O)c1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50254305 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(O)=O)c2n1
BDBM50180196 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180197 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50180198 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12
BDBM50108041 CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50196550 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50196551 Cc1ccc(Nc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CO)cn2)cc1
BDBM50196552 CCOC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196553 CCOC(=O)c1ccc(CNC(=O)c2cnn(c2)-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50196554 CCOC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196555 CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc3ccccc3n2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196556 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O
BDBM50196557 NC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196568 CCNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50196569 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccccc1
BDBM50315591 O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
BDBM50315592 O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50315593 COc1ccc(CC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
BDBM50315594 CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50315595 O=C(Nc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50315596 Cc1ccc(NC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
BDBM50315597 CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315598 CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50196570 CCCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50196571 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1
BDBM50196572 CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50315620 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccccc1
BDBM50315621 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(F)cc1
BDBM50315622 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315623 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Br)cc1
BDBM50315624 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N)n2n1
BDBM50315625 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
BDBM50315626 CCn1ncc2c1nc(N)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315627 CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315628 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1
BDBM50315629 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(F)cc1
BDBM50315630 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Cl)cc1
BDBM50315639 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n2n1
BDBM50315640 Cn1cc2c(n1)nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315641 O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1)c1ccccc1
BDBM50315642 Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1
BDBM50315643 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccccc1
BDBM50315644 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1
BDBM50315645 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315646 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
BDBM50315647 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)Cc3ccccc3)n2n1
BDBM50315648 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
BDBM50315631 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(Br)cc1
BDBM50315632 COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(N)n2n1
BDBM50315633 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccccc1
BDBM50315634 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(F)cc1
BDBM50315635 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50315636 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
BDBM50315637 COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)c3ccccc3)n2n1
BDBM50315638 Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
BDBM50196537 CCNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
BDBM50196538 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cnccn3)nc(nc12)-n1cc(CO)cn1
BDBM50196540 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccn3)nc(nc12)-n1cc(CO)cn1
BDBM50196541 CCNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50268165 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1
BDBM50140970 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
BDBM50140971 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1C
BDBM50304630 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1 |r|
BDBM50304631 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCC1 |r|
BDBM50257072 O=C(Cc1ccccc1)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
BDBM50257073 COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3ncccc3n2c1=O
BDBM50304632 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1 |r|
BDBM50304633 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304634 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
BDBM50304635 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304636 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r|
BDBM50318244 C[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
BDBM50293031 CNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50276238 FC(F)(F)c1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50110966 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1
BDBM50110967 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)C(O)=O
BDBM50110979 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)OC)cc1
BDBM50318272 O=C(Nc1ccccc1)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
BDBM50276105 Ic1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50110972 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(C=CC(=O)OC)cc1 |w:19.21|
BDBM50110974 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S([O-])(=O)=O
BDBM50110976 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(C=CC(O)=O)cc1 |w:19.21|
BDBM50110977 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2OC)cc1
BDBM50110978 Brc1ccc(cc1)-c1nc2[nH]c(=O)n(CC#C)c(=O)c2[nH]1
BDBM50110982 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1
BDBM50318267 COc1ccc(cc1)C(=O)Nc1nc(nc2nn(C)cc12)-c1ccccc1
BDBM50318268 Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
BDBM50318279 Cn1cc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc2n1)-c1ccccc1
BDBM50318280 O=C(Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1)c1ccccc1
BDBM50318281 COc1ccc(cc1)C(=O)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
BDBM50318282 Clc1cccc(NC(=O)Nc2nc(nc3nn(Cc4ccccc4)cc23)-c2ccccc2)c1
BDBM50318283 Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
BDBM50318284 Cn1cc2c(N)nc(nc2n1)-c1ccccc1
BDBM50318285 COc1ccc(NC(=O)Nc2nc(nc3nn(C)cc23)-c2ccccc2)cc1
BDBM50318286 Clc1cccc(c1)C(=O)Nc1ncnc2nn(Cc3ccccc3)cc12
BDBM50318288 COc1ccc(NC(=O)Nc2nc(nc3nn(CCc4ccccc4)cc23)-c2ccccc2)cc1
BDBM50318289 Clc1cccc(NC(=O)Nc2nc(nc3nn(CCc4ccccc4)cc23)-c2ccccc2)c1
BDBM50318290 O=C(Nc1ncnc2nn(Cc3ccccc3)cc12)c1ccccc1
BDBM50318291 COc1ccc(cc1)C(=O)Nc1ncnc2nn(Cc3ccccc3)cc12
BDBM50318269 COc1ccc(NC(=O)Nc2nc(nc3nn(Cc4ccccc4)cc23)-c2ccccc2)cc1
BDBM50318270 O=C(Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1)c1ccccc1
BDBM50318273 Cn1cc2c(NC(=O)c3cccc(Cl)c3)nc(nc2n1)-c1ccccc1
BDBM50318274 Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
BDBM50318275 Cn1cc2c(NC(=O)Nc3ccccc3)nc(nc2n1)-c1ccccc1
BDBM50318276 Clc1cccc(c1)C(=O)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
BDBM50318277 O=C(Nc1ccccc1)Nc1nc(nc2nn(CCc3ccccc3)cc12)-c1ccccc1
BDBM50318278 COc1ccc(cc1)C(=O)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
BDBM50321518 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
BDBM50318271 Clc1cccc(c1)C(=O)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
BDBM50253992 Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1
BDBM50253993 Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1
BDBM50253994 Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1
BDBM50253995 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1
BDBM50309792 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(CCCCNC(C)=O)nn1 |r|
BDBM50309793 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(nn1)-c1ccc(N)cc1 |r|
BDBM50309794 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(nn1)-c1ccc(cc1)N=C=S |r|
BDBM50309795 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12 |r|
BDBM50309796 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(nn1)-c1ccc(cc1)C(O)=O |r|
BDBM50309797 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(Cc2ccc(cc2)-n2sccc2=O)nn1 |r|
BDBM50254974 CC(C)Cn1c2nc3[nH]c(cn3c2c(=O)n(CC(C)C)c1=O)-c1ccccc1
BDBM50254975 Cn1c2nc3[nH]c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
BDBM50254976 Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)[nH]1
BDBM50254398 Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1
BDBM50254399 Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ncc4c3)c2n1
BDBM50276162 Nc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50312946 Brc1ccc(NC(=O)C2CC2)nc1-c1ccco1
BDBM50312947 O=C(Nc1ccc(C#N)c(n1)-c1ccco1)C1CC1
BDBM50312949 Clc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
BDBM50312951 Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
BDBM50312953 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1
BDBM50254263 Cc1cnc(s1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12
BDBM50254264 Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1
BDBM50254265 Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1
BDBM50254266 Nc1nc(-c2c[nH]nn2)c2nnn(Cc3ccccc3F)c2n1
BDBM50254267 Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1
BDBM50254304 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(O)c3)c2n1
BDBM50254262 Cc1csc(n1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12
BDBM50254299 Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1
BDBM50254300 Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1
BDBM50254301 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)[N+]([O-])=O)c2n1
BDBM50254302 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)[N+]([O-])=O)c2n1
BDBM50254303 COC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50254295 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1
BDBM50254296 Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1
BDBM50254297 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1
BDBM50254298 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1
BDBM50315584 CN(C)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50315585 CSc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315586 CSc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315587 COc1ccc(CC(=O)Nc2nc(SC)nc3nc(nn23)-c2ccco2)cc1
BDBM50315589 CSc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315590 CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
BDBM50264170 COc1ccc(O)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 |r|
BDBM50264171 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(Cl)nc12 |r|
BDBM50300683 COc1ccc(cc1)-n1cc2nc(Cc3ccccc3)[nH]c(=O)c2n1
BDBM50300684 Cc1ccc(cc1)-n1cc2nc(C)[nH]c(=O)c2n1
BDBM50300685 Cc1cccc(c1)-n1cc2nc(C)[nH]c(=O)c2n1
BDBM50300686 O=c1[nH]c(Cc2ccccc2)nc2cn(nc12)-c1ccccc1
BDBM50315599 COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
BDBM50315600 CCCCCC(=O)Nc1nc(nc2nc(nn12)-c1ccco1)N(C)C
BDBM50315601 CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315602 CN(C)c1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
BDBM50315603 Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50315604 CSc1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50309474 CCc1cnn(c1)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
BDBM50309478 CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12 |r|
BDBM50309479 CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(C)cn3)nc12 |r|
BDBM50309480 CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(CC)cn3)nc12 |r|
BDBM50309481 CCC(CC)Nc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@H](NC(=O)CC)[C@@H](O)[C@H]1O |r|
BDBM50309493 CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CC)cn1 |r|
BDBM50309494 CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CO)cn1 |r|
BDBM50309496 CCCCC#Cc1nc(N)c2ncn([C@@H]3C[C@H](NC(=O)CC)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50317889 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4ccc5c(c4)C(C)(C)N(O)C5(C)C)cc3)ncnc12 |r|
BDBM50317890 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(CNC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
BDBM50317891 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(CNC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
BDBM50317892 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(CNC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)ncnc12 |r|
BDBM50317893 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(NC(=O)CCC(=O)NCCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50273956 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(C)(=O)=O
BDBM50264168 CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(SC)nc12 |r|
BDBM50264169 COc1ccc(OC)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 |r|
BDBM50309473 Cc1cnn(c1)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
BDBM50309482 CCC(CC)Nc1nc(NCCc2cn(cn2)C(C)C)nc2n(cnc12)[C@@H]1C[C@H](NC(=O)CC)[C@@H](O)[C@H]1O |r|
BDBM50309486 CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CC5)[C@@H](O)[C@H]4O)c3n2)c1 |r|
BDBM50309487 CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CCC5)[C@@H](O)[C@H]4O)c3n2)c1 |r|
BDBM50254972 CCCn1c(=O)n(Cc2ccccc2)c2nc3n(CC)c(C)cn3c2c1=O
BDBM50254973 CCCn1c2nc3[nH]c(cn3c2c(=O)n(CCC)c1=O)-c1ccccc1
BDBM50254400 Nc1nc(-c2ccco2)c2nnn(Cc3ccc4nn[nH]c4c3)c2n1
BDBM50313071 O=c1[nH]c2nc(-c3ccco3)c(cc2c(=O)[nH]1)-c1ccncn1
BDBM50294499 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccnc1
BDBM50294500 Nc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1
BDBM50294501 COCc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1
BDBM50294502 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1
BDBM50294503 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1F
BDBM50294504 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(F)c1
BDBM50294505 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl
BDBM50294506 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(Cl)c1
BDBM50294507 Cc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
BDBM50294508 Cc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1
BDBM50294509 Cc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1
BDBM50221690 Cn1c2nc3N(CCOC\C=C\c4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221691 Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
BDBM50149110 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(C)cc1
BDBM50149111 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Cl)cc1
BDBM50149112 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(F)cc1
BDBM50149113 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(OCC)cc1
BDBM50149114 CCCCc1nc2cccc(Cl)c2c2nc(nn12)-c1ccccc1
BDBM50149115 CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccccc1
BDBM50149116 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(O)cc1
BDBM50149130 CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)cc1
BDBM50149131 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)C(C)(C)C
BDBM50149132 OC(=O)CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
BDBM50149133 CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccc(OC)cc1
BDBM50312958 Fc1ccccc1-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
BDBM50312959 Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
BDBM50149134 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(CCC)cc1
BDBM50149135 CCCCc1nc2ccccc2c2nc(nn12)-c1ccco1
BDBM50294670 CNc1nc(Cl)nc2n(cnc12)[C@@H]1OC[C@@H](O)[C@H]1O |r|
BDBM50257024 Nc1nc2ncccc2n2c1nn(-c1ccc(O)cc1)c2=O
BDBM50257025 O=c1n(nc2c(NC3CCCCC3)nc3ncccc3n12)-c1ccccc1
BDBM50257026 O=c1n(nc2c(NC3CCCC3)nc3ncccc3n12)-c1ccccc1
BDBM50257027 CC(=O)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
BDBM50257028 O=C(Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
BDBM50254349 CC(C)NC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50254350 CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50254351 Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1
BDBM50254352 Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1
BDBM50294665 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r|
BDBM50294666 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50294667 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
BDBM50294668 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
BDBM50294669 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50294671 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc12 |r|
BDBM50295947 CCCOc1cnc2c(c1)[nH]c1c2n(CCC)c(=O)n(CCC)c1=O
BDBM50295948 CCCOc1cncc2[nH]c3c(n(CCC)c(=O)n(CCC)c3=O)c12
BDBM50295949 CCCn1c2c3ncccc3[nH]c2c(=O)n(CCC)c1=O
BDBM50295950 Cn1c2c3ncccc3[nH]c2c(=O)n(C)c1=O
BDBM50295951 CCCn1c2c3ccncc3[nH]c2c(=O)n(CCC)c1=O
BDBM50295952 Cn1c2c3ccncc3[nH]c2c(=O)n(C)c1=O
BDBM50258734 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
BDBM50149127 OC(=O)CCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
BDBM50149128 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(Br)cc1
BDBM50149129 OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
BDBM50273839 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
BDBM50275899 CCOC(=O)C1=C(N=C(C)\C(C1CC)=C(\O)SCCOC)c1ccccc1 |t:5,7|
BDBM50242457 Brc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(Br)cc2)cc1
BDBM50254348 NC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50257152 [O-][N+](=O)c1cccc2c1nc(NC1CCCC1)c1nn(-c3ccccc3)c(=O)n21
BDBM50267577 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21|
BDBM50267578 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:14:15:19.18:21|
BDBM50257151 [O-][N+](=O)c1cccc2c1nc(NC1CCCCC1)c1nn(-c3ccccc3)c(=O)n21
BDBM50052296 Fc1ccccc1-c1cc2c3ccccc3[nH]c(=O)n2n1
BDBM50052302 O=c1[nH]c2ccccc2c2cc(nn12)-c1ccco1
BDBM50052303 O=c1[nH]c2ccccc2c2cc(nn12)-c1ccccn1
BDBM50052308 CCOC(=O)c1cc2c3ccccc3[nH]c(=O)n2n1
BDBM50211688 Cn1cc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)ccc1=O
BDBM50180207 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCC(C)C
BDBM50180208 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
BDBM50052295 CC(C)OC(=O)c1cc2c3ccccc3[nH]c(=O)n2n1
BDBM50052293 Clc1ccc(cc1)-c1cc2c3ccccc3[nH]c(=O)n2n1
BDBM50052294 O=c1[nH]c2ccccc2c2cc(nn12)-c1cccs1
BDBM50170941 Cc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
BDBM50170942 c1n(nc2c1cnc1ccccc21)-c1ccccc1
BDBM50170943 C(Nc1nc2ccccc2c2nn(cc12)-c1ccccc1)c1ccccc1
BDBM50268231 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
BDBM50176737 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(c2)C(F)(F)F)c1
BDBM50176738 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50176739 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
BDBM50188578 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50251138 Cc1cc2[nH]c3cnccc3c2c(C)c1O
BDBM50170839 C1CCC(CC1)Nc1nc(Nc2ccc(cc2)-c2ccccc2)nc2nc[nH]c12
BDBM50070863 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
BDBM50070864 CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O
BDBM50070865 CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1ccon1
BDBM50070866 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1c1ccon1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50070867 CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](C=C)[C@@H](O)[C@H]1O
BDBM50102169 CCn1c(nc2c(N)ncnc12)C#Cc1ccccc1
BDBM50199293 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2
BDBM50199295 CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2
BDBM50245929 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccco1
BDBM50245930 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccoc1
BDBM50245931 Cc1ccc(o1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50245932 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1cccs1
BDBM50245933 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccsc1
BDBM50189821 COc1ccc(cc1)-n1nc2c(nc3c(cccc3n2c1=O)[N+]([O-])=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
BDBM50276940 Clc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50049399 COc1ccc(c(OC)c1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OC
BDBM50049400 OC1C(=O)C(Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1
BDBM50256890 CCn1c(Br)nc2c(N)ncnc12
BDBM50276939 Fc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50065760 Clc1ccc2nc(NC(=O)Cc3ccc(I)cc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065759 CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065761 Clc1ccc2nc(NC(=O)\C=C\c3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50051241 Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50051242 CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50219388 CC1(C)NC(C)(C)c2cc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12
BDBM50066286 CCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1CC)c1ccccc1 |c:13,15|
BDBM50066287 CCCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:14,16|
BDBM50219387 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
BDBM50268129 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
BDBM50268130 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1
BDBM50100422 OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50309781 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(nn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:44:45:42.43.48:49,THB:44:43:49:50.45.46,46:45:42:48.47.49,46:47:42:50.44.45|
BDBM50309782 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)-c1nnn(c1CCCCc1cn(nn1)-c1ccc(cc1)N=C=S)-c1ccc(cc1)N=C=S |r|
BDBM50309783 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(nn1)C(Br)C(=O)c1ccccc1 |r|
BDBM50086171 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(N)=O)cc1
BDBM50086172 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1
BDBM50264885 FC(F)(F)c1ccc(NC(=O)Nc2ccc(Nc3nc(nc4n(Cc5ccccc5)cnc34)-c3ccccc3)cc2)cc1
BDBM50179180 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50178643 CC(C)OC(=O)c1nc2n(n1)c1ccccc1[nH]c2=O
BDBM50178644 CCOC(=O)c1nc2n(n1)c1ccccc1n(C)c2=O
BDBM50178645 CCOC(=O)c1nc2n(n1)c1ccccc1n(C(=O)OCC)c2=O
BDBM50264831 Fc1ccc(NC(=O)Nc2ccc(Nc3nc(nc4n(Cc5ccccc5)nnc34)-c3ccccc3)cc2)cc1
BDBM50178636 O=c1[nH]c2ccccc2n2nc(nc12)-c1ccccc1
BDBM50178637 CCOC(=O)c1nc2n(n1)c1cc(N)ccc1[nH]c2=O
BDBM50178638 Nc1nc2ccc(Cl)cc2n2nc(nc12)-c1ccccc1
BDBM50178639 Cc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccccc1
BDBM50178640 CCOC(=O)c1nc2n(n1)c1cc(C)ccc1[nH]c2=O
BDBM50178641 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccccc1
BDBM50256972 Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
BDBM50256973 COc1ccc(cc1)-n1nc2c(N)nc3ncccc3n2c1=O
BDBM50256974 Nc1nc2ncccc2n2c1nn(-c1ccc(F)cc1)c2=O
BDBM50196573 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(F)cc1
BDBM50113247 Cn1c2nc[nH]c2c(=O)n(CCc2ccccc2)c1=O
BDBM50190438 CCCOC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC
BDBM50256955 Nc1ncnc2n(CCC=C)c(Br)nc12
BDBM50257002 Nc1ncnc2n(C3CCCC3)c(Br)nc12
BDBM50257003 Nc1ncnc2n(C3CCCCCC3)c(Br)nc12
BDBM50256948 CC(C)Cn1cnc2c(N)ncnc12
BDBM50190439 OCCn1cc2c(n1)nc(NC(=O)Nc1cccnc1)n1nc(nc21)-c1ccco1
BDBM50190440 CCCc1nc(-c2ccccc2)c(C(=O)OCC)c(CC)c1C(=O)SCC
BDBM50190441 CCn1cc2C3NC(=NN3C(NC(=O)Nc3ccc(C)cc3)=Nc2n1)c1ccco1 |c:7,23|
BDBM50190442 CCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
BDBM50190443 O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50190444 Cc1cccnc1-c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
BDBM50140980 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2ccc(cc2)N(C)C)nn1C
BDBM50140981 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)nn1C
BDBM50140982 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)nc1
BDBM50140983 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)no1
BDBM50140984 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2cccc(OC)c2)nn1C
BDBM50294672 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r|
BDBM50294673 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
BDBM50294674 CNc1ncnc2n(cnc12)[C@@H]1OC[C@@H](O)[C@H]1O |r|
BDBM50180206 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12
BDBM50049384 COc1cc(OC)c2c(c1)oc(-c1ccccc1)c(OC)c2=O
BDBM50183515 Cn1cc2c(n1)nc(NC(=O)Nc1ccccn1)n1nc(nc21)-c1ccco1
BDBM50211686 N(c1cnccn1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
BDBM50211687 N#Cc1cncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
BDBM50180199 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1
BDBM50180200 CC(C)CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180201 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCC(c1ccccc1)c1ccccc1
BDBM50180202 Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1
BDBM50180203 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12
BDBM50180204 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50180205 Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
BDBM50049387 COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1
BDBM50049388 CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccccc1)c(OC(C)=O)c2=O
BDBM50187671 Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1
BDBM50187672 Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1Cl
BDBM50183523 Cn1cc2c(n1)nc(NC(=O)Nc1cc[n+]([O-])cc1)n1nc(nc21)-c1ccco1
BDBM50183524 Cn1cc2c(n1)nc(NC(=O)Nc1ccco1)n1nc(nc21)-c1ccco1
BDBM50183525 Cn1cc2c(n1)nc(NC(=O)Nc1cccnc1)n1nc(nc21)-c1ccco1
BDBM50183526 Cn1cc2c(n1)nc(NC(=O)[NH+]=c1ccccn1C)n1nc(nc21)-c1ccco1 |w:11.11|
BDBM50183527 Cn1cc2c(n1)nc(NC(=O)Nc1ccc[n+]([O-])c1)n1nc(nc21)-c1ccco1
BDBM50183528 Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)s1
BDBM50183529 Cn1cc2c(n1)nc(NC(=O)Nc1cc3ccccc3o1)n1nc(nc21)-c1ccco1
BDBM50183530 Cn1cc2c(n1)nc(NC(=O)Nc1cccc[n+]1[O-])n1nc(nc21)-c1ccco1
BDBM50187669 COc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1
BDBM50187670 Cc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1
BDBM50108018 Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50108019 Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1
BDBM50108020 NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50108021 Nc1nc2n(CCCc3ccc(cc3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50108022 Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
BDBM50108023 NC(=N)c1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
BDBM50108024 Nc1nc2n(CCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50108025 Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C(O)=O)C(O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50108026 Nc1nc2n(CCCc3ccc4O[C@H](Oc4c3)C(O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50108027 Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)ncc2c2nc(nn12)-c1ccco1
BDBM50108029 Nc1nc2n(CCc3ccc(cc3)S(N)(=O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50108030 Nc1nc2n(CCCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
BDBM50108031 Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)NCC(O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50108032 Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C([O-])=O)C([O-])=O)ncc2c2nc(nn12)-c1ccco1
BDBM50108033 Nc1nc2n(CCCc3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1
BDBM50108037 Nc1nc2n(CCCc3ccc(cc3)C(=N)NO)ncc2c2nc(nn12)-c1ccco1
BDBM50108038 CN1CCN(CC1)S(=O)(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50207817 Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
BDBM50125910 COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
BDBM50125911 CCNc1n(C)nc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1
BDBM50125912 CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
BDBM50125913 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccccc1
BDBM50125914 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(Cl)cc1
BDBM50125915 CCNc1n(C)nc2nc(NC(=O)Cc3ccc4OCOc4c3)n3nc(nc3c12)-c1ccco1
BDBM50125916 COc1ccc(Nc2n(C)nc3nc(N)n4nc(nc4c23)-c2ccco2)cc1
BDBM50125917 CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccc(CN2CCN(C)CC2)o1
BDBM50125919 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(CN2CCOCC2)o1
BDBM50298491 CCOC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50298492 CCOC(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50298493 COc1ccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50298494 Clc1ccc(OCC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50298495 CC(C)CCn1cc2c(n1)nc(NC(=O)COc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50298496 COc1ccc(CC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50298497 Cn1cc2c(n1)nc(NC(=O)COc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50298498 CCCCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
BDBM50298499 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1
BDBM50300272 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50300273 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(F)nc12 |r|
BDBM50300274 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50189809 CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O
BDBM50323040 CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
BDBM50133360 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1
BDBM50133361 CC(C)CCn1cc2c(n1)nc(NC(=O)COc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50133362 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50133363 O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50133364 O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50133365 O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50133366 O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50133367 O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50133368 O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50240999 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
BDBM50276239 FC(F)(F)c1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50276240 FC(F)(F)c1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50276242 Nc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50276243 Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1
BDBM50300275 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|
BDBM50300871 Nc1nc(SCCC2OCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300872 Nc1nc(SCCC2COCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300873 Nc1nc(SCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300874 Nc1nc(SCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300875 Nc1nc(SC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300876 Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300877 Nc1nc(SCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300878 CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50300879 Nc1nc(SCC#C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300880 Nc1nc(SCC=C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300284 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCC(=O)NCCN |r|
BDBM50300287 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCN |r|
BDBM50300289 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
BDBM50300290 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50300291 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(O)=O |r|
BDBM50300292 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCC(O)=O |r|
BDBM50300293 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)OC |r|
BDBM50299697 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r|
BDBM50299698 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
BDBM50322843 CCn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50322845 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50322847 Cn1c2nc(-c3ccccc3)n(O)c2c(=O)n(C)c1=O
BDBM50322848 Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1
BDBM50294510 COc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
BDBM50294511 COc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1
BDBM50298500 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
BDBM50298501 CCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50110987 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc2cc(ccc2c1)C(O)=O
BDBM50110990 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50110981 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
BDBM50189812 COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
BDBM50189813 [O-][N+](=O)c1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50190448 CCCc1c(C(=O)SCC)c(C)nc(-c2ccccc2)c1C(=O)OCC
BDBM50190449 CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCO)c1CC
BDBM50190450 CCOC(=O)c1c(C)[n+](C)c(-c2ccccc2)c(C(=O)OCC)c1CC
BDBM50190451 OCCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
BDBM50110992 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
BDBM50304642 Cc1ccccc1CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304643 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CCCCC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304644 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCc1cccc(F)c1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304645 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCc1cccc(Cl)c1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304646 Cc1cccc(CNC(=O)[C@H]2S[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NCc4cccc(I)c4)ncnc23)c1 |r|
BDBM50304647 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304648 COc1ccccc1CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304649 Cc1ccc(CNC(=O)[C@H]2S[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NCc4cccc(I)c4)ncnc23)cc1 |r|
BDBM50304650 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCCc1ccccc1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304651 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCc1cccc2ccccc12)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50189802 Nc1cccc2c1nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50189803 COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(N)cccc3n2c1=O
BDBM50189804 [O-][N+](=O)c1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O
BDBM50189805 COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3n2c1=O
BDBM50189806 [O-][N+](=O)c1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
BDBM50189807 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O
BDBM50189808 COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3ccccc3n2c1=O
BDBM50268164 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1
BDBM50300270 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)OC |r|
BDBM50205696 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(C)cc1
BDBM50205697 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccn1
BDBM50300271 NCCNC(=O)CCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3[C@H]4C[C@H]4[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50300276 CNC(=O)[C@]12C[C@H]1[C@H]([C@@H](O)[C@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCC(=O)NCCN |r|
BDBM50254734 Cc1ccc(cc1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50254735 FC(F)(F)c1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50300279 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12 |r|
BDBM50300280 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12 |r|
BDBM50300281 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCNCCN |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|
BDBM50300283 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCCN |r|
BDBM50178630 O=C(OCc1ccccc1)c1nc2n(n1)c1ccccc1[nH]c2=O
BDBM50178631 O=C(NCc1ccccc1)c1nc2n(n1)c1ccccc1[nH]c2=O
BDBM50178632 COc1ccc(cc1)-c1nc2c(N)nc3ccc(Cl)cc3n2n1
BDBM50178633 CCOC(=O)c1nc2n(n1)c1cc(NC(C)=O)ccc1[nH]c2=O
BDBM50178634 COc1ccc(cc1)-c1nc2n(n1)c1cc(C)ccc1[nH]c2=O
BDBM50178635 Cc1ccc2n(C)c(=O)c3nc(nn3c2c1)-c1ccccc1
BDBM50125928 CN1CCN(CC1)c1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
BDBM50125929 CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
BDBM50125930 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(O)cc1
BDBM50125931 CSc1n(C)nc2nc(NC(=O)Cc3ccc4OCOc4c3)n3nc(nc3c12)-c1ccco1
BDBM50299703 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r|
BDBM50299704 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(I)cc3)nc(Cl)nc12 |r|
BDBM50299699 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
BDBM50299700 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
BDBM50299701 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r|
BDBM50299702 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 |r|
BDBM39341 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50257056 CC(O)Cn1cnc2ncnc(N)c12
BDBM50317875 CC1(C)N(O)C(C)(C)c2cc(CNC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |r,c:15|
BDBM50317876 CC1(C)CC(CC(C)(C)N1O)NC1NC=Nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,c:15|
BDBM50317877 CC1(C)CC(CC(C)(C)N1)NC1NC=Nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,c:14|
BDBM50317878 CC(C)(C)c1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(c1O)C(C)(C)C |r|
BDBM50317879 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4c(c3)C(C)(C)N(O)C4(C)C)ncnc12 |r|
BDBM50317880 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4c(c3)C(C)(C)NC4(C)C)ncnc12 |r|
BDBM50317881 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc4c(c3)C(C)(C)N(O)C4(C)C)ncnc12 |r|
BDBM50317882 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC(C)(C)N(O)C(C)(C)C3)ncnc12 |r|
BDBM50317883 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC(C)(C)NC(C)(C)C3)ncnc12 |r|
BDBM50317884 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC(C)(C)N(O)C3(C)C)ncnc12 |r|
BDBM50317885 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)ncnc12 |r|
BDBM50317886 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
BDBM50317887 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
BDBM50317888 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)ncnc12 |r|
BDBM50257055 CC(O)Cn1cnc2c(N)ncnc12
BDBM50275836 CCCC1\C(=C(/O)SCC)C(C)=NC(=C1C(=O)OCC)c1ccccc1 |c:11,13|
BDBM50275837 CCOC(=O)C1=C(N=C(CC)\C(C1CC)=C(\O)SCC)c1ccccc1 |t:5,7|
BDBM50275838 CCCC1=NC(=C(C(CC)\C1=C(/O)SCC)C(=O)OCC)c1ccccc1 |c:5,t:3|
BDBM50110980 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1
BDBM50300277 CNC(=O)[C@]12C[C@H]1[C@H]([C@@H](O)[C@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(O)=O |r|
BDBM50300285 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)NCCN |r|
BDBM50300286 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCC(=O)OC |r|
BDBM50317873 CC1(C)N(O)C(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |r,c:14|
BDBM50317874 CC1(C)NC(C)(C)c2cc(NC3NC=Nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 |r,c:13|
BDBM50318493 COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10|
BDBM50318494 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|
BDBM50199280 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(=O)OC
BDBM50258709 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
BDBM50268163 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
BDBM50125920 CCOc1ccccc1-c1nc2c3cnn(CCc4ccccc4)c3nc(N)n2n1
BDBM50125921 COc1ccc(CC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
BDBM50125922 COc1ccc(NC(=O)Nc2nc3nn(C)c(N4CCN(C)CC4)c3c3nc(nn23)-c2ccco2)cc1
BDBM50125923 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1
BDBM50125925 CCOC(=O)COc1ccc(cc1)-c1nc2c3cnn(CCc4ccccc4)c3nc(N)n2n1
BDBM50125926 CSc1n(CCCc2ccccc2)nc2nc(N)n3nc(nc3c12)-c1ccco1
BDBM50125927 CN1CCN(Cc2ccc(o2)-c2nc3c4cnn(CCc5ccccc5)c4nc(N)n3n2)CC1
BDBM50125932 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(OCC(O)=O)cc1
BDBM50186974 CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccc(F)cc2)CC1
BDBM50140946 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C
BDBM50067082 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCOC(=O)NCCN)cc1
BDBM50067083 CS(=O)(=O)c1nc(cc2ccccc12)-c1ccccn1
BDBM50067084 O=C(N(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
BDBM50190708 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O
BDBM50190709 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
BDBM50267574 O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50267575 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:15:16:20.19:22|
BDBM50267576 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:15:16:20.19:22|
BDBM50208811 Cc1ccc(cc1)S(=O)(=O)n1c(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc2ccccc12
BDBM50208812 Nc1nc(OCCc2cc3ccccc3[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50267534 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50267535 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50267536 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:22:23:27.26:29|
BDBM50267537 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:22:23:27.26:29|
BDBM50254609 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1cscn1
BDBM50254610 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccn1
BDBM50254611 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1cccnc1
BDBM50254612 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccncc1
BDBM50170946 COc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
BDBM50170947 S=c1[nH]c2ccccc2c2nn(cc12)-c1ccccc1
BDBM50170948 Clc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
BDBM50170949 Fc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
BDBM50170950 COc1nc2ccccc2c2nn(cc12)-c1ccccc1
BDBM50170951 Clc1ccccc1-n1cc2c(n1)c1ccccc1[nH]c2=O
BDBM50170944 O=c1[nH]c2ccccc2c2nn(cc12)-c1ccccc1
BDBM50208813 Cc1ccc(cc1)S(=O)(=O)n1cc(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c2ccccc12
BDBM50208814 Nc1nc(OCCc2c[nH]c3c(Br)cccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208815 Nc1nc(OCCc2ccsc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50208816 Nc1nc(OCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[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|
BDBM50312960 CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1
BDBM50312964 CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1ccco1
BDBM50312965 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccco1)C1CC1
BDBM50312966 O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1
BDBM50199282 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCCC(=O)OC
BDBM50214980 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3Cl)nc(Cl)nc12
BDBM50214981 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
BDBM50214982 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12
BDBM50149106 COCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
BDBM50149107 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(C)cc1
BDBM50149108 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(F)cc1
BDBM50149109 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
BDBM50257050 Nc1ncnc2ncn(CCO)c12
BDBM50257051 Nc1ncnc2n(CCO)c(Br)nc12
BDBM50186973 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1
BDBM50149118 CCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
BDBM50149119 CCCCc1nc2cc(C)ccc2c2nc(nn12)-c1ccccc1
BDBM50149103 CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(OC)cc1
BDBM50149104 CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Cl)cc1
BDBM50149105 CCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
BDBM50149121 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(CC)cc1
BDBM50149122 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Br)cc1
BDBM50149123 CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccccc1
BDBM50149124 OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
BDBM50149125 CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccc(Cl)cc1
BDBM50149126 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(Cl)cc1
BDBM50144945 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
BDBM50257052 Nc1ncnc2n(CCCO)cnc12
BDBM50257053 Nc1ncnc2ncn(CCCO)c12
BDBM50257054 Nc1ncnc2n(CCCO)c(Br)nc12
BDBM50117108 Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
BDBM50186975 COc1ccc(CNS(=O)(=O)c2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)nc1
BDBM50186976 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccn1
BDBM50186977 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
BDBM50186978 CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
BDBM50163029 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3OC)nc(Cl)nc12
BDBM50163031 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc12
BDBM50180212 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50180213 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCCC(c1ccccc1)c1ccccc1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180214 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCOCC1)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50180215 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50180216 Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)N1CCOCC1
BDBM50180217 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180218 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180219 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12
BDBM50180220 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCc1cccc(c1)C(F)(F)F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180221 Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50180222 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)N1CCN(CC1)c1ccc(F)cc1
BDBM50180223 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)N(C)C
BDBM50180224 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCN(CC1)c1ccc(F)cc1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180225 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCc1cccc(F)c1
BDBM50180226 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50180227 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCc1cccc(F)c1
BDBM50180228 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCOCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180229 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCc1cccc(Cl)c1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180230 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCCc1ccccc1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50180231 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12
BDBM50140940 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)nn1C
BDBM50140941 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(N)nn1C
BDBM50140942 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C
BDBM50140943 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(cc2)C(O)=O)nn1C
BDBM50140944 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(Br)cc2)nn1C
BDBM50140945 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(N)n(C)n1
BDBM50140948 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)cn2)nn1C
BDBM50140949 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Nc2ccc(OC)cc2)nn1C
BDBM50091123 C1CCC(CC1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091124 Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
BDBM50091125 O=C(NCc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091126 C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1
BDBM50091127 CCCn1c2ccccc2c2cn(nc2c1=O)-c1ccccc1
BDBM50091128 COc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
BDBM50091129 C1CCC(C1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091130 Cc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
BDBM50091131 Nc1nc2ccccc2c2cn(nc12)-c1cccc(F)c1
BDBM50251139 Cc1cc2n(C)c3cnccc3c2c(C)c1O
BDBM50091121 Cc1ccccc1-n1cc2c(n1)c(=O)[nH]c1ccccc21
BDBM50276867 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccoc1
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM67935 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21|
BDBM50254648 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccncn1
BDBM50254649 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1cnccn1
BDBM50254650 Clc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccco1)nc1ccccc21
BDBM50327333 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3nccnc3c2)c(c1)C(O)=O
BDBM50327343 Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C
BDBM50336982 CC(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1
BDBM50336983 CCC(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1
BDBM50336984 CC(C)C(=O)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1
BDBM50336985 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCC1
BDBM50336986 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCCC1
BDBM50336989 Cc1ccc(o1)-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1
BDBM50336974 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CC1
BDBM50336979 Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1
BDBM50336991 Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1
BDBM50298528 Cn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50298529 CCCCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1
BDBM50298530 CCCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
BDBM50298531 CCCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1
BDBM50298532 Cn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1
BDBM50298533 Cn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
BDBM50298534 Cn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1
BDBM50298535 Cn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
BDBM50298536 CCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
BDBM50298537 CCn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1
BDBM50254651 Clc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccncc1)nc1ccccc21
BDBM50254652 FC(F)(F)c1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
BDBM50327460 CCOc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM59202 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r|
BDBM59203 NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM59204 NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM59205 NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM59206 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r|
BDBM59207 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r|
BDBM59208 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r|
BDBM59209 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r|
BDBM59210 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r|
BDBM59211 CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM59212 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r|
BDBM50336715 CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)Nc1nccs1
BDBM50336640 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
BDBM50339076 CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50339077 CCCC\C=C\c1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50339078 CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1SC[C@@H](O)[C@H]1O |r|
BDBM50339079 CCCC\C=C\c1nc2c(N)ncnc2n1[C@@H]1SC[C@@H](O)[C@H]1O |r|
BDBM50341601 O=C(Nc1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1
BDBM50341602 O=C(Nc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12
BDBM50341603 COc1ccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
BDBM50341604 COc1cccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1
BDBM50341605 COc1ccccc1NC(=O)Nc1nn(-c2ccccc2)c(=O)c2ccccc12
BDBM50341606 COc1ccc(OC)c(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1
BDBM50341607 O=C(NCc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12
BDBM50341608 COc1ccccc1CNC(=O)Nc1nn(-c2ccccc2)c(=O)c2ccccc12
BDBM82023 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM82032 CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
BDBM81925 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
BDBM82015 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
BDBM50330766 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 |r|
BDBM50330441 Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM50330621 CC(c1ccccc1)n1nc(C)c2c3cc(nn3c(C)nc2c1=O)-c1ccccc1
BDBM50264163 COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50264164 CONC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50264165 CON(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50264166 CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
BDBM50205702 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(cc1)C(C)=O
BDBM50189810 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1
BDBM50298502 COc1ccc(NC(=O)Nc2nc3nn(Cc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50298503 Clc1cccc(NC(=O)Nc2nc3nn(CCc4c(Br)cc(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)c1
BDBM50298504 COc1ccc(NC(=O)Nc2nc3nn(CCc4c(Br)cc(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50298505 CSc1n(C)nc2nc(NC(=O)Cc3ccc(OCC(C)C)cc3)n3nc(nc3c12)-c1ccco1
BDBM50298506 Nc1nc2n(CCCc3ccc4O[C@@H](Oc4c3)C(O)=O)ncc2c2nc(nn12)-c1ccco1 |r|
BDBM50298507 CCOC(=O)[C@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1 |r|
BDBM50298508 Nc1nc2n(CCCc3ccc4OCOc4c3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50254613 O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ncccn1
BDBM50214974 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50214975 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc12 |r|
BDBM50214976 COc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O
BDBM50214977 COc1ccc(Cl)cc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O
BDBM50214978 CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O |r|
BDBM50214979 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
BDBM50208817 [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12
BDBM50208818 Nc1nc(OCCn2cnc3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50304637 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304638 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 |r|
BDBM50304639 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304640 CCOc1ccccc1CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304641 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCc1cccc(I)c1 |r|
BDBM50298509 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50298510 Clc1cccc(Cl)c1CC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50298511 Clc1ccc(OCC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50298512 Clc1ccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50298513 Clc1cccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
BDBM50298514 O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50298515 O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
BDBM50298516 Fc1ccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50298517 Cn1cc2c(n1)nc(NC(=O)Cc1c(Cl)cccc1Cl)n1nc(nc21)-c1ccco1
BDBM50298518 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1c(Cl)cccc1Cl)n1nc(nc21)-c1ccco1
BDBM50298519 Cn1cc2c(n1)nc(NC(=O)Cc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50298520 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50298521 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50298522 Clc1cccc(CC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
BDBM50298523 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50298524 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50298525 Cn1cc2c(n1)nc(NC(=O)COc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50298526 CCCCn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1
BDBM50298527 CCCCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
BDBM50272032 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccncc3)nc3ccccc3n2c1=O
BDBM50267394 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50267395 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21|
BDBM50267477 O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50267478 O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50189811 COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O
BDBM50300677 O=c1[nH]cnc2cn(nc12)-c1ccccc1
BDBM50300678 Cc1nc2cn(nc2c(=O)[nH]1)-c1ccccc1
BDBM50300679 CCc1nc2cn(nc2c(=O)[nH]1)-c1ccccc1
BDBM50300680 COc1ccc(cc1)-n1cc2nc[nH]c(=O)c2n1
BDBM50300681 COc1ccc(cc1)-n1cc2nc(C)[nH]c(=O)c2n1
BDBM50300682 CCc1nc2cn(nc2c(=O)[nH]1)-c1ccc(OC)cc1
BDBM50264167 CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 |r|
BDBM50264214 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
BDBM50264215 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r|
BDBM50264216 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12 |r|
BDBM50205698 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
BDBM50205699 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(I)nc12
BDBM50205700 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(F)cc1
BDBM50205701 CONc1nc(nc2n(cnc12)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1
BDBM50298538 CCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
BDBM50298539 CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1
BDBM50298540 O=C(Cc1ccsc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50298541 O=C(Cc1cccs1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50298542 O=C(Cc1ccc2ccccc2c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50298543 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
BDBM50298544 COc1ccc(CC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50298545 CCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50298546 Cn1cc2c(n1)nc(NC(=O)Cc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50298547 CCCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50298548 CCCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50298549 Cn1cc2c(n1)nc(NC(=O)Cc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50298550 CCCCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50298551 CCCCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50298552 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50298553 O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
BDBM50298554 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50298555 CC(C)CCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50298556 Cn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50298557 Cn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50298558 Nc1nc2nn(CCc3c(Br)cc(Br)cc3Br)cc2c2nc(nn12)-c1ccco1
BDBM50298559 COc1ccc(NC(=O)Nc2nc3nn(C=C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50364045 Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3|
BDBM50364046 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4cnc[nH]4)C(O)=O)cc3)nc12 |r|
BDBM50364047 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4ccccc4)C(=O)OC)cc3)nc12 |r|
BDBM50364048 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4ccccc4)C(=O)OC)cc3)nc12 |r|
BDBM50364049 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)cc3)nc12 |r|
BDBM50364050 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)OC)cc3)nc12 |r|
BDBM50364051 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](CC(O)=O)C(O)=O)cc3)nc12 |r|
BDBM50364052 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](CC(O)=O)C(O)=O)cc3)nc12 |r|
BDBM50364053 [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])nc(-[#7]-[#6]-[#6]-c3ccc(-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)cc3)nc12 |r|
BDBM50364054 [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])nc(-[#7]-[#6]-[#6]-c3ccc(-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)cc3)nc12 |r|
BDBM50364055 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4ccccc4)C(O)=O)cc3)nc12 |r|
BDBM50364056 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4ccccc4)C(O)=O)cc3)nc12 |r|
BDBM50364057 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(O)=O)cc3)nc12 |r|
BDBM50364058 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(O)=O)cc3)nc12 |r|
BDBM50364059 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)N[C@@H](Cc4cnc[nH]4)C(O)=O)cc3)nc12 |r|
BDBM50364063 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC |r,wU:7.12,5.4,28.34,wD:8.8,10.11,25.27,(-2.37,-48.53,;-1.04,-49.31,;.3,-48.55,;1.62,-49.33,;1.61,-50.87,;2.93,-48.59,;2.94,-47.1,;4.43,-46.64,;5.27,-47.83,;6.72,-47.84,;4.37,-49.06,;4.85,-50.53,;4.89,-45.21,;3.96,-43.88,;4.91,-42.6,;6.23,-43.05,;7.53,-42.29,;7.52,-40.78,;8.97,-43.12,;8.97,-44.75,;7.59,-45.54,;6.24,-44.75,;10.31,-45.52,;11.64,-46.29,;12.97,-47.06,;14.3,-46.29,;15.63,-47.07,;16.96,-46.31,;16.97,-44.77,;15.64,-43.99,;14.3,-44.76,;18.31,-44,;18.32,-42.46,;19.64,-44.78,;20.98,-44.02,)|
BDBM82561 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r|
BDBM86758 CN1C2C(Nc3cnccc23)C(=O)N(C)C1=O
BDBM86759 CN1C2C(Nc3cccnc23)C(=O)N(C)C1=O
BDBM86761 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)ncnc12
BDBM86762 CN1C2C(N(C)C(=O)N(C)C2=O)c2ncccc12
BDBM86763 CN1C2C(N(C)C(=O)N(C)C2=O)c2ccncc12
BDBM50365296 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc4ccccc4cc3[nH]2)nn1C
BDBM50365297 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)[N+]([O-])=O)nn1C
BDBM50365298 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(=O)OCC)nn1C
BDBM50365299 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(O)=O)nn1C
BDBM50365300 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3c(C)cccc3[nH]2)nn1C
BDBM50365301 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(Cl)c3[nH]2)C(F)(F)F)nn1C
BDBM50365302 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(c3[nH]2)C(F)(F)F)C(F)(F)F)nn1C
BDBM50365303 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)nn1C
BDBM50365304 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(C)c(C)cc3[nH]2)nn1C
BDBM50365305 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3c(=O)[nH]2)nn1C
BDBM50365306 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ncncc3[nH]2)nn1C
BDBM50365307 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2noc(n2)-c2cccc(OC)c2)nn1C
BDBM50365308 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)no1
BDBM50365309 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Cl)cc3[nH]2)no1
BDBM50365310 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Br)cc3[nH]2)no1
BDBM50365311 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)no1
BDBM50365312 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(OC)cc3[nH]2)no1
BDBM50365313 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)no1
BDBM50365314 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(Cl)c3[nH]2)C(F)(F)F)no1
BDBM50365315 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3cc(cc(c3[nH]2)C(F)(F)F)C(F)(F)F)no1
BDBM50365316 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C
BDBM50365317 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C
BDBM50365318 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C
BDBM50365319 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(F)cc2)nn1C
BDBM50365320 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
BDBM50365321 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(F)cc3[nH]2)nn1C
BDBM50365322 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Cl)cc3[nH]2)nn1C
BDBM50365323 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(OC)cc3[nH]2)nn1C
BDBM50365324 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(Br)cc3[nH]2)nn1C
BDBM50365325 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(cc3[nH]2)C(F)(F)F)nn1C
BDBM50365326 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccc(C)cc3[nH]2)nn1C
BDBM50365327 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3[nH]2)nn1C
BDBM50363168 CCCCC#Cc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50363169 CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O |r|
BDBM50363170 CCCC\C=C\c1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O |r|
BDBM50363172 CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50363173 CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50363174 CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50363175 CCCC\C=C\c1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50363176 CCCCC#Cc1nc(NCc2cccc(F)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50363177 CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50363178 CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50363179 CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50363180 CCCCC#Cc1nc(NCc2cccc(F)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50344263 C[C@]12N[C@H](Cc3ccccc13)c1ccccc21 |r|
BDBM85206 C[N+]1(C)CCOC(O)(C1)c1ccc(cc1)-c1ccc(cc1)C1(O)C[N+](C)(C)CCO1
BDBM50360181 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Cl)cc1
BDBM50360195 CC(C)(C)OC(=O)NCCNc1nc(NCCNC(=O)OC(C)(C)C)n2nc(nc2n1)-c1ccco1
BDBM50360196 CC(C)(C)OC(=O)NCCNc1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50360197 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Br)cc1
BDBM85036 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22|
BDBM85037 CC(C=C[C@@]1(O)C(C)=CC(=O)CC1(C)C)=CC(O)=O |r,w:2.1,15.16,c:7|
BDBM50343133 Cn1cc2c(n1)nc(NC(=O)N[n+]1ccccc1)n1nc(nc21)-c1ccco1
BDBM50343134 NCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50343135 Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
BDBM50342509 Nc1nc2n(CCCc3ccc(OCCCF)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50342512 NCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50342513 Nc1nc2n(CCCc3ccc(OCC(=O)NCCNC(=O)CCCCC#C)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50342514 Nc1nc2n(CCCc3ccc(OCC(=O)NCCNC(=O)CCCCc4cn(CCCCCCC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)nn4)cc3)ncc2c2nc(nn12)-c1ccco1 |r|
BDBM50342515 CC(=O)NCCn1cc(CCCCC(=O)NCCNC(=O)COc2ccc(CCCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)cc2)nn1
BDBM50342516 NCCNCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50361302 COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
BDBM50361303 COc1ccc(NC(=O)Nc2nc3cnn(CCCc4ccccc4)c3c3nc(nn23)-c2ccco2)cc1
BDBM50361304 Cn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
BDBM50361305 CCCn1cc2nc(N)n3nc(nc3c2n1)-c1ccco1
BDBM50361306 Nc1nc2cn(CCc3ccccc3)nc2c2nc(nn12)-c1ccco1
BDBM50361307 Nc1nc2cn(CCCc3ccccc3)nc2c2nc(nn12)-c1ccco1
BDBM50361308 COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(nn23)-c2ccco2)cc1
BDBM50361309 CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2n1)-c1ccco1
BDBM50361310 COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
BDBM50361311 COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)nc3c3nc(nn23)-c2ccco2)cc1
BDBM50361312 Cn1ncc2nc(NC3CCCCC3)n3nc(nc3c12)-c1ccco1
BDBM50361313 Cn1ncc2nc(N3CCOCC3)n3nc(nc3c12)-c1ccco1
BDBM50361314 CN1CCN(CC1)c1nc2cnn(C)c2c2nc(nn12)-c1ccco1
BDBM50361315 Cn1ncc2nc(N3CCN(CC3)c3ccccc3)n3nc(nc3c12)-c1ccco1
BDBM50361316 Cn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
BDBM50361317 CCCn1cc2nc(N)n3nc(nc3c2c1)-c1ccco1
BDBM50361318 Nc1nc2cn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50361319 Nc1nc2cn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50361320 COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50361321 CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2c1)-c1ccco1
BDBM50361322 COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50361323 COc1ccc(NC(=O)Nc2nc3cn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50361324 Cn1cc2nc(NC(=O)Nc3ccncc3)n3nc(nc3c2c1)-c1ccco1
BDBM50361325 Cn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
BDBM50361326 CCCn1ncc2nc(N)n3nc(nc3c12)-c1ccco1
BDBM50361327 Nc1nc2cnn(CCc3ccccc3)c2c2nc(nn12)-c1ccco1
BDBM50361328 Nc1nc2cnn(CCCc3ccccc3)c2c2nc(nn12)-c1ccco1
BDBM50361329 COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(nn23)-c2ccco2)cc1
BDBM50361330 CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1
BDBM50367298 COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
BDBM50366765 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
BDBM50366766 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
BDBM50366767 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
BDBM50366768 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
BDBM50366769 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNc3ccc([N+]([O-])=O)c4[n-][o+]nc34)ncnc12
BDBM50366923 CCN(C)C1CCCc2ccncc12
BDBM50348144 CC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C
BDBM50348145 C[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C |r|
BDBM50348146 C[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C |r|
BDBM50348147 CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)nn1C
BDBM50348148 CC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C |c:4|
BDBM50348149 CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C |c:5|
BDBM50348150 CC[C@@H]1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C |r,c:5|
BDBM50348151 CC[C@H]1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(C)nn1C |r,c:5|
BDBM50348152 COc1cc(-c2nc3c4NC(C)Cn4c(=O)n(CC=C)c3n2)n(C)n1
BDBM50348153 CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C
BDBM50348154 CC[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C |r|
BDBM50348155 CC[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C |r|
BDBM50348156 COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4CC(C)N=C4c3[nH]2)n(C)n1 |c:23|
BDBM50348157 COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4C[C@@H](C)N=C4c3[nH]2)n(C)n1 |r,c:23|
BDBM50348158 COc1cc(-c2nc3N(Cc4ccccc4)C(=O)N4C[C@H](C)N=C4c3[nH]2)n(C)n1 |r,c:23|
BDBM50348159 CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OC)nn1C |c:5|
BDBM50348160 CC1CN2C(=N1)c1[nH]c(nc1N(CC=C)C2=O)-c1cc(OCc2ccccc2)nn1C |c:4|
BDBM50348161 CCC1Cn2c(N1)c1nc(nc1n(Cc1ccccc1)c2=O)-c1cc(C)n(C)n1
BDBM50348162 COc1cc(on1)-c1nc2c3NC(C)Cn3c(=O)n(CC=C)c2n1
BDBM50348163 CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)no1
BDBM50348164 COc1cc(on1)-c1nc2N(Cc3ccccc3)C(=O)N3CC(C)N=C3c2[nH]1 |c:26|
BDBM50348165 CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OC)no1 |c:5|
BDBM50348166 CCC1CN2C(=N1)c1[nH]c(nc1N(CC=C)C2=O)-c1cc(OCc2ccccc2)nn1C |c:5|
BDBM50348167 CC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OCc2ccccc2)nn1C |c:4|
BDBM50348168 CCC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OCc2ccccc2)nn1C |c:5|
BDBM50348169 CC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1
BDBM50348170 CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1
BDBM50348171 C[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 |r|
BDBM50348172 C[C@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(C)n(C)n1 |r|
BDBM50348173 CC1Cn2c(N1)c1nc(nc1n(Cc1ccccc1)c2=O)-c1cc(C)n(C)n1
BDBM50348174 CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
BDBM50348175 CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1 |r|
BDBM50348176 CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1cc(Cl)cc(Cl)c1Cl
BDBM50346909 Cn1cc2c(n1)c(N)nc1c(OCc3ccccc3)cccc21
BDBM50346910 Cn1cc2c(n1)c(=O)[nH]c1c(OCc3ccccc3)cccc21
BDBM50355150 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F
BDBM50355151 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1
BDBM50355152 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Cl)cc2)cc1
BDBM50355153 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Br)cc2)cc1
BDBM50355154 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1
BDBM50355155 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccccc2)cc1
BDBM50355156 Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1
BDBM50355157 Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1
BDBM50355158 COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1
BDBM50355159 O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1
BDBM50355160 Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
BDBM50355161 Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
BDBM50355162 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)C(F)(F)F
BDBM50355163 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)-c1ccccc1
BDBM50355164 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50355165 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
BDBM50355166 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F
BDBM50355167 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1
BDBM50355168 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Cl)cc1
BDBM50366686 Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(\C=C\C(=O)c3ccccc3)nc12 |r|
BDBM50366687 Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)C#Cc1ccccc1 |r|
BDBM50366688 CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50355169 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Br)cc1
BDBM50355170 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccco1
BDBM50355171 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccco2)cc1
BDBM50355172 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(cc1)-c1ccco1
BDBM50355173 O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(cc1)-c1ccco1
BDBM50367265 NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
BDBM82557 Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
BDBM82558 CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM82247 CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
BDBM50366495 CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
BDBM85523 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1 |r|
BDBM85524 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCOc1ccccc1
BDBM85617 COc1ccc(cc1)C(=O)Nc1ncnc2n(cnc12)C1OC(CCC(N)=O)C(O)C1O
BDBM85618 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
BDBM85619 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM85620 COc1ccc(cc1)C(=O)Nc1ncnc2n(cnc12)C1OC(CC(N)=O)C(O)C1O
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|
BDBM50366323 Nc1ncnc2n(C[C@H](O)CO)cnc12 |r|
BDBM50369495 CC(C)NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50369503 O[C@@H]1[C@H](O)C(O[C@@H]1c1ccon1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50369509 CCNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NNc3ccc(cc3)S(N)(=O)=O)ncnc12 |r|
BDBM50369511 CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50369512 CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50369514 CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50369515 COc1cccc(CNc2nc(Cl)nc3n(cnc23)C2O[C@@H]([C@H](O)[C@@H]2O)c2ccon2)c1 |r|
BDBM50370152 Nc1ncnc2n(cnc12)C1O[C@H](CC(=O)NCc2cccc(I)c2Cl)[C@@H](O)[C@H]1O |r|
BDBM50370524 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCC)ncnc12 |r|
BDBM50370525 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC3CCCCC3)ncnc12 |r|
BDBM50370526 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCc3ccccc3)ncnc12 |r|
BDBM50370527 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccc(OC)cc3)ncnc12 |r|
BDBM50370528 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CC=CC3)ncnc12 |r,c:34|
BDBM50370529 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(CC)CC)ncnc12 |r|
BDBM50370530 CCCCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 |r|
BDBM50370531 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C(C)C)ncnc12 |r|
BDBM50370532 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)ncnc12 |r|
BDBM50370533 CCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 |r|
BDBM50370534 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)ncnc12 |r|
BDBM50370535 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)CC=C)ncnc12 |r|
BDBM50370536 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C)ncnc12 |r|
BDBM50370537 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)ncnc12 |r|
BDBM50370538 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC3CCCC3)ncnc12 |r|
BDBM50370539 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(CC=C)CC=C)ncnc12 |r|
BDBM50370540 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)ncnc12 |r,TLB:38:37:40:33.32.34,38:33:40:37.39.36,THB:36:35:32:37.39.38,36:37:32:35.40.34|
BDBM50370541 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N3CCCC3)ncnc12 |r|
BDBM50370542 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NC(C)(C)C)ncnc12 |r|
BDBM50370543 CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 |r|
BDBM50370303 Nc1nc(N=NNC(=O)Nc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5|
BDBM50370311 Nc1nc(NN=NC(=O)Oc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:6.6|
BDBM50370630 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CC(C)(C)N([O])C(C)(C)C1 |^1:23|
BDBM50370631 CCCn1c(=O)n(CC2=CC(C)(C)N([O])C2(C)C)c2[nH]c(nc2c1=O)C1CCCC1 |t:8,^1:14|
BDBM50370632 CCCc1c(O)c2[nH]c(nc2[nH]c1=O)-c1ccc(OCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1 |^1:29|
BDBM50370121 CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
BDBM50370129 CC[C@@H]1Cn2c(N1)c1nc(C=Cc3ccccc3)nc1n(C)c2=O |r,w:11.12|
BDBM50370133 CC[C@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1 |r|
BDBM50372717 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCC(O)CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50372718 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50372719 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50372720 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCCCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50372721 CCN(C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12)c1ccccc1
BDBM50372722 CCCN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50372723 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50372724 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12
BDBM50372725 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50372726 COCCNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)N(C)C
BDBM50372727 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12
BDBM50372728 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12
BDBM50372729 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc12
BDBM50372730 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12
BDBM50372731 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCSCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50372732 CN1CCN(CC1)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50372733 CN(CCO)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50372734 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(nc(Cl)nc12)N(C)C
BDBM50379106 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 |r|
BDBM50379107 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
BDBM50379108 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3F)nc(Cl)nc12 |r|
BDBM50379109 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc12 |r,TLB:13:14:18.17:20|
BDBM50379110 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r|
BDBM50379111 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 |r|
BDBM50379112 COc1cc(F)c(F)cc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
BDBM50379113 COc1ccc(F)c(F)c1CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
BDBM50379114 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cc(F)ccc3F)nc(Cl)nc12 |r|
BDBM50379115 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(OCCF)c3)nc(Cl)nc12 |r|
BDBM50379116 CCOc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
BDBM50379117 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3OCCF)nc(Cl)nc12 |r|
BDBM50379118 CC(Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1 |r|
BDBM50379119 CCC(CC)Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
BDBM50379120 CC(C)Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
BDBM50379121 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCCCF)nc(Cl)nc12 |r|
BDBM50379122 CCNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
BDBM50379123 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]4CC[C@H]3C4)nc(Cl)nc12 |r,TLB:13:14:18.17:20|
BDBM50379124 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 |r|
BDBM50379125 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 |r|
BDBM50379126 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r|
BDBM50379127 Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O |r|
BDBM50383003 Clc1ccc2n(-c3ccccc3)c3nnc(-c4ccco4)c(=O)n3c2c1
BDBM50383004 Clc1ccc2n(-c3ccccc3)c3nnc(-c4ccccc4)c(=O)n3c2c1
BDBM50383005 O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccccc1
BDBM50383006 Clc1ccc(cc1)-n1c2ccccc2n2c1nnc(-c1ccco1)c2=O
BDBM50383007 Clc1ccc(cc1)-n1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
BDBM50383008 O=c1c(nnc2[nH]c3ccccc3n12)-c1ccco1
BDBM50383010 O=c1c(nnc2n(CCc3ccccc3)c3ccccc3n12)-c1ccco1
BDBM50389124 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cccc(Cl)c1 |r|
BDBM50389125 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
BDBM50389126 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(N)cc1 |r|
BDBM50389127 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(cc1)C(C)=O |r|
BDBM50389128 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1cccc(Cl)c1 |r|
BDBM50389129 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc2ccc3cccc4ccc1c2c34 |r|
BDBM50389130 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r|
BDBM50389131 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r|
BDBM50389132 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1F |r|
BDBM50389133 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cccc(F)c1 |r|
BDBM50389134 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r|
BDBM50389135 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1Cl |r|
BDBM50389136 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)cc1 |r|
BDBM50389137 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)cc1 |r|
BDBM50389138 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cccc(N)c1 |r|
BDBM50389139 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cc(F)cc(F)c1 |r|
BDBM50389140 CCc1ccc(cc1)C#Cc1nc(NC)c2ncn([C@@H]3[C@H]4C[C@]4([C@@H](O)[C@H]3O)C(=O)NC)c2n1 |r|
BDBM50389141 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(cc1)C(C)(C)C |r|
BDBM50389142 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(cc1)-c1ccccc1 |r|
BDBM50389143 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cccc2ccccc12 |r|
BDBM50389144 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cc2ccccc2c2ccccc12 |r|
BDBM50389145 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1 |r|
BDBM50389146 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(F)cc1 |r|
BDBM50389147 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1Cl |r|
BDBM50389148 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(F)c(F)c1 |r|
BDBM50389149 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1cccc(c1)C(O)=O |r|
BDBM50389150 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(cc1)-c1ccccc1 |r|
BDBM50389151 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1cc2cccc3ccc4cccc1c4c23 |r|
BDBM50389794 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC(F)(F)F |r|
BDBM50389796 CCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50389797 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
BDBM50389798 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1 |r|
BDBM50389799 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCC1 |r|
BDBM50389893 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50389894 Cc1ccc(CNC(=O)N2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50389895 COc1ccc(CNC(=O)N2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50389896 CN1CCN(CC1)C(=O)N1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50389897 Cn1cc2c(n1)nc(NC(=O)NC1CCNCC1)n1nc(nc21)-c1ccco1
BDBM50389898 CN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50389899 CCCN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50389900 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC=C)CC1)n1nc(nc21)-c1ccco1
BDBM50389901 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC#C)CC1)n1nc(nc21)-c1ccco1
BDBM50389902 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC3CCCCC3)CC1)n1nc(nc21)-c1ccco1
BDBM50389903 Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccccc3)CC1)n1nc(nc21)-c1ccco1
BDBM50389904 Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(F)cc3)CC1)n1nc(nc21)-c1ccco1
BDBM50389905 Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(Cl)cc3)CC1)n1nc(nc21)-c1ccco1
BDBM50389906 Cc1ccc(CN2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50389907 COc1ccc(CN2CCC(CC2)NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50389908 Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(cc3)C#N)CC1)n1nc(nc21)-c1ccco1
BDBM50389909 Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccc(cc3)[N+]([O-])=O)CC1)n1nc(nc21)-c1ccco1
BDBM50389910 Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3cccnc3)CC1)n1nc(nc21)-c1ccco1
BDBM50389911 CCOC(=O)CN1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50389912 CCNC(=O)N1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50389913 CC(C)NC(=O)N1CCC(CC1)NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50389914 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCC1)n1nc(nc21)-c1ccco1
BDBM50389915 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCCC1)n1nc(nc21)-c1ccco1
BDBM50389916 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NC1CCCCCC1)n1nc(nc21)-c1ccco1
BDBM50389917 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50389918 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCCc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50389919 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCCCc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50389920 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50389921 Cn1cc2c(n1)nc(NC(=O)NC1CCN(CC1)C(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
BDBM50389922 Cn1cc2c(n1)nc(NC(=O)NC1CCN(Cc3ccncc3)CC1)n1nc(nc21)-c1ccco1
BDBM50385631 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O |r|
BDBM50385632 Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50385633 Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50385634 Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50400797 Cn1c2OCC\C=C/CCCCOc3ccccc3-c1cn2 |c:6|
BDBM50399553 Cn1cc2c(n1)nc(NCCCCCO)n1nc(nc21)-c1ccco1
BDBM50399554 Cn1cc2c(n1)nc(NCCCCO)n1nc(nc21)-c1ccco1
BDBM50399555 Cn1cc2c(n1)nc(NC(CO)CO)n1nc(nc21)-c1ccco1
BDBM50399556 CCC(CO)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50385943 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(N)cc3)nc12 |r|
BDBM50385944 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(Br)cc3)nc12 |r|
BDBM50385945 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r|
BDBM50385946 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r|
BDBM50385947 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)CCCC[C@H]4CCSS4)cc3)nc12 |r|
BDBM50385948 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(F)nc12 |r|
BDBM50385949 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccccc3)nc12 |r|
BDBM50385950 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(N)cc3)nc12 |r|
BDBM50385951 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(Br)cc3)nc12 |r|
BDBM50385952 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r|
BDBM50385953 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r|
BDBM50385954 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)CCCC[C@H]4CCSS4)cc3)nc12 |r|
BDBM50385955 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(F)nc12 |r|
BDBM50385956 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)nc12 |r|
BDBM50385957 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(F)nc12 |r|
BDBM50385958 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12 |r|
BDBM50399557 CC(O)CNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399558 Cn1cc2c(n1)nc(NCCCO)n1nc(nc21)-c1ccco1
BDBM50399559 Cn1cc2c(n1)nc(NCCO)n1nc(nc21)-c1ccco1
BDBM50399560 Cn1cc2c(n1)nc(NCCc1c[nH]c3ccccc13)n1nc(nc21)-c1ccco1
BDBM50399561 CC(CCc1ccccc1)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399562 COc1ccc(CCNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC
BDBM50399563 Cn1cc2c(n1)nc(NCCc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50399564 Cn1cc2c(n1)nc(NCc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50399565 COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC
BDBM50399566 Cn1cc2c(n1)nc(NCc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1
BDBM50399567 Cn1cc2c(n1)nc(NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1
BDBM50399568 Cn1cc2c(n1)nc(NCc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
BDBM50399569 COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50399570 Cc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50399571 C[C@@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1 |r|
BDBM50399572 C[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1 |r|
BDBM50399573 Cn1cc2c(n1)nc(NCc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50399574 Cn1cc2c(n1)nc(NC1C3CC4CC(C3)CC1C4)n1nc(nc21)-c1ccco1 |TLB:8:9:11.12.18:15.14.16,8:9:11:15.14.13,THB:13:12:9:15.14.16,13:14:9:11.12.18,16:17:11:15.14.13,16:14:11:9.18.17,(18.41,-21.76,;19.17,-20.43,;20.71,-20.26,;21.02,-18.75,;19.69,-17.99,;18.54,-19.02,;19.69,-16.45,;21.02,-15.67,;21.02,-14.13,;19.69,-13.36,;18.29,-12.8,;16.79,-13.22,;17.98,-11.95,;17.98,-10.46,;19.32,-9.98,;18.28,-11.22,;20.72,-10.56,;20.71,-12.09,;19.31,-12.44,;22.35,-16.45,;23.82,-15.97,;24.72,-17.22,;23.82,-18.47,;22.35,-17.99,;26.25,-17.22,;27.16,-15.97,;28.62,-16.45,;28.62,-17.99,;27.16,-18.46,)|
BDBM50399575 Cn1cc2c(n1)nc(NC13CC4CC(CC(C4)C1)C3)n1nc(nc21)-c1ccco1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
BDBM50399576 Cn1cc2c(n1)nc(NCC1CCCCC1)n1nc(nc21)-c1ccco1
BDBM50399577 Cn1cc2c(n1)nc(NC1CCCCCCC1)n1nc(nc21)-c1ccco1
BDBM50399578 Cn1cc2c(n1)nc(NC1CCCCCC1)n1nc(nc21)-c1ccco1
BDBM50399579 Cn1cc2c(n1)nc(NC1CCCCC1)n1nc(nc21)-c1ccco1
BDBM50399580 Cn1cc2c(n1)nc(NC1CCCC1)n1nc(nc21)-c1ccco1
BDBM50399581 Cn1cc2c(n1)nc(NC1CCC1)n1nc(nc21)-c1ccco1
BDBM50399582 Cn1cc2c(n1)nc(NC1CC1)n1nc(nc21)-c1ccco1
BDBM50399583 Cn1cc2c(n1)nc(NC(C)(C)C(C)(C)C)n1nc(nc21)-c1ccco1
BDBM50399584 CCCCC(CC)CNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399585 CCCCCCC(C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399586 CCCCCC(C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399587 CCCCCNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399588 CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r|
BDBM50399589 CC[C@H](C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r|
BDBM50399590 CC(C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399591 CCNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399592 CNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399593 CCOc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399594 COc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399595 Cn1cc2c(n1)nc(Cl)n1nc(nc21)-c1ccco1
BDBM50399596 Cn1cc2c(n1)[nH]c(=O)n1nc(nc21)-c1ccco1
BDBM50399597 Cn1cc2c(n1)nc(NC(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50399598 Cn1cc2c(n1)nc(N1CCOCC1)n1nc(nc21)-c1ccco1
BDBM50399599 CN1CCN(CC1)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399600 Cn1cc2c(n1)nc(N1CCCCC1)n1nc(nc21)-c1ccco1
BDBM50399601 Cn1cc2c(n1)nc(N1CCCC1)n1nc(nc21)-c1ccco1
BDBM50399602 CCN(CCO)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399603 Cn1cc2c(n1)nc(N(Cc1ccccc1)Cc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50399604 CN(Cc1ccccc1)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399605 CN(C1CCCCC1)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399606 CCCCCN(CCCCC)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399607 CCN(CC)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399608 CCCCN(C)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399609 CN(C)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399610 Cn1cc2c(n1)nc(NCCOc1ccccc1)n1nc(nc21)-c1ccco1
BDBM50399611 COCCNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399612 CONc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
BDBM50399613 Cn1cc2c(n1)nc(NCCCCCCO)n1nc(nc21)-c1ccco1
BDBM50397715 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(cc2)[N+]([O-])=O)=C(N=C1C)c1ccccc1 |c:30,32|
BDBM50397716 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3cccc(c3)C(F)(F)F)ncnc12 |r|
BDBM50397717 CCCn1c2nc(nc2c2NCCn2c1=O)-c1ccc(Br)cc1
BDBM50397718 OC[C@H]1O[C@H]([C@H](O)[C@@H]1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50397719 CCCOC(=O)c1c(CC)c(C(=O)SCCC)c(CC)nc1-c1cccc(Cl)c1
BDBM50397721 Cc1ccc(cc1)-c1nc(NC(=O)Nc2ccc(F)cc2)c2nnn(Cc3ccccc3F)c2n1
BDBM50397722 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)N(C)C(C)C)ncnc12 |r|
BDBM50397723 COc1ccn2c(c1)nc1n(Cc3ccc(C)cc3)c(=O)n(CC3CC3)c(=O)c21
BDBM50397724 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4-c4ccccc34)ncnc12 |r|
BDBM50397725 CNC(=O)[C@@]1(SC[C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50397726 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#N |r|
BDBM50397727 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(nc(NCCc3ccccc3)nc12)C(F)(F)F |r|
BDBM50397728 Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
BDBM50397729 COc1ccc(cc1)-c1nsc(NC(C)=O)n1
BDBM50370872 CCC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
BDBM50410667 COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50410674 CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)Nc1ccccc1
BDBM50410691 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
BDBM50377446 O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
BDBM50377476 C1CC1c1nc(-c2nccs2)c2sccc2n1
BDBM50377492 CCc1nc(-c2nccs2)c2sccc2n1
BDBM50377500 OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1
BDBM50377501 CN(C)c1nc(-c2nccs2)c2sccc2n1
BDBM50377559 Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1
BDBM50407975 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50376936 CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50376937 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50376938 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
BDBM50376939 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50376940 CCn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F
BDBM50376941 CCn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F
BDBM50376942 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1ccc(nc1)C(F)(F)F
BDBM50376943 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1ccc(C)nc1
BDBM50376944 CCn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50376945 CCn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50376946 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50376947 Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50376948 Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50376949 Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50376950 CC(C)Cn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50376951 CC(C)Cn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50376952 CCCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50376953 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50376954 CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50376955 CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50377676 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)NCCN
BDBM50377677 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(=O)OC
BDBM50377678 CCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3[C@H]4C[C@]4([C@@H](O)[C@H]3O)C(=O)NC)c2n1
BDBM50377679 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#C
BDBM50377680 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(I)nc12
BDBM50377681 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCCCC(=O)NCCNC(C)=O)nc(Cl)nc12
BDBM50377682 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCCCC(=O)NCCN)nc(Cl)nc12
BDBM50377683 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NOC)nc(Cl)nc12
BDBM50377684 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#C[Si](C)(C)C
BDBM50377685 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCCCC(O)=O)nc(Cl)nc12
BDBM50377686 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC(O)=O
BDBM50377934 Cc1cc2n(C)c3c[n+](C)ccc3c2c(C)c1O
BDBM50377935 Cc1cc2[nH]c3c[n+](C)ccc3c2c(C)c1O
BDBM50394715 CC(C)n1cc(ccc1=O)-c1ncc(N)nc1-c1ccc(F)cc1
BDBM50392803 COc1ccc(CC(=O)Nc2nnc([nH]2)-c2ccccc2)cc1
BDBM50392804 C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
BDBM50392805 C[C@@H](Oc1ccccc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
BDBM50392806 C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
BDBM50392807 C[C@@H](Oc1ccccc1F)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
BDBM50392808 CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
BDBM50392809 Cc1cccc(OCC(=O)Nc2nnc([nH]2)-c2ccccc2)c1
BDBM50392810 Cc1cc(C)cc(OCC(=O)Nc2nnc([nH]2)-c2ccccc2)c1
BDBM50392811 C[C@@H](Sc1ccccc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
BDBM50392812 O=C(COCc1ccccc1)Nc1nnc([nH]1)-c1ccccc1
BDBM50392813 Cc1ccc(cc1)-c1nnc(NC(=O)COc2ccccc2)[nH]1
BDBM50392814 CCCC(=O)Nc1nnc([nH]1)-c1ccccc1
BDBM50392815 O=C(Nc1nnc([nH]1)-c1ccccc1)C1CCCO1
BDBM50392816 O=C(Nc1nnc([nH]1)-c1ccccc1)c1ccccc1
BDBM50392819 C[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
BDBM50392820 CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1
BDBM50392821 O=C(COc1ccccc1)Nc1nnc([nH]1)-c1ccccc1
BDBM50392822 Cc1ccccc1OCC(=O)Nc1nnc([nH]1)-c1ccccc1
BDBM50392823 Cc1cccc(C)c1OCC(=O)Nc1nnc([nH]1)-c1ccccc1
BDBM50392824 O=C(COc1ccc2CCCc2c1)Nc1nnc([nH]1)-c1ccccc1
BDBM50392825 O=C(CCc1ccccc1)Nc1nnc([nH]1)-c1ccccc1
BDBM50392826 Fc1ccc(cc1)-c1nnc(NC(=O)COc2ccccc2)[nH]1
BDBM50392827 CC(Oc1ccccc1)C(=O)Nc1nnc([nH]1)-c1cccc(C)c1
BDBM50392828 C[C@@H](Oc1ccccc1)C(=O)Nc1nnc([nH]1)-c1cccc(C)c1 |r|
BDBM50392829 CCC(=O)Nc1nnc([nH]1)-c1ccccc1
BDBM50392830 Clc1ccc(cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1
BDBM50392831 COc1ccccc1NC(=O)Nc1nnc([nH]1)-c1ccccc1
BDBM50392832 COc1ccccc1OCC(=O)Nc1nnc([nH]1)-c1ccc(C)cc1
BDBM50392833 C[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc([nH]1)-c1ccco1 |r|
BDBM50392834 CC(=O)Nc1nnc([nH]1)-c1ccccc1
BDBM50392817 Cc1ccc(cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1
BDBM50392818 COc1ccccc1C(=O)Nc1nnc([nH]1)-c1ccccc1
BDBM50395549 Nc1nc(nc(n1)-c1ccccc1O)-c1ccccc1
BDBM50375411 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
BDBM50375482 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CC1
BDBM50375483 CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1
BDBM50375484 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1
BDBM50375485 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CCCC1
BDBM50395122 COP(=O)(OC)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50395123 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50393167 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20|
BDBM50393169 Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCC1
BDBM50393171 Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(9.82,-12.09,;9.82,-10.55,;11.15,-9.79,;12.61,-10.27,;13.51,-9.02,;14.98,-8.56,;14.99,-7.01,;13.53,-6.53,;12.61,-7.77,;11.15,-8.25,;9.82,-7.47,;9.82,-5.93,;8.49,-8.25,;7.15,-7.48,;8.49,-9.79,;7.16,-10.56,;16.31,-9.32,;16.31,-10.86,;17.63,-11.63,;18.97,-10.87,;20.3,-11.64,;18.97,-9.33,;17.64,-8.55,)|
BDBM50393172 Cn1c2nc3N(CC4CC4)CCCn3c2c(=O)n(C)c1=O
BDBM50393174 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)|
BDBM50393175 CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r,wU:7.10,wD:4.3,(21.45,-4.6,;20.56,-3.34,;21.2,-1.94,;19.03,-3.48,;18.14,-2.22,;18.78,-.82,;17.89,.44,;16.36,.29,;15.72,-1.11,;16.6,-2.36,;15.47,1.56,;16.11,2.96,;15.21,4.22,;13.67,4.08,;13.03,2.67,;13.93,1.41,;13.03,.17,;11.57,.64,;10.24,-.12,;10.24,-1.66,;8.91,.65,;7.58,-.13,;8.91,2.18,;7.57,2.95,;10.24,2.96,;10.24,4.5,;11.57,2.18,)|
BDBM50393181 Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O |t:8|
BDBM50393182 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCC1
BDBM50393183 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50393186 CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)|
BDBM50393188 CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)|
BDBM50393189 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
BDBM50393190 Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
BDBM50393191 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCC1
BDBM50393192 Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
BDBM50393193 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC1
BDBM50375618 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(CC(C)C)cc2)n1
BDBM50375619 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(cc2)N(C)C)n1
BDBM50375620 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)cc2)n1
BDBM50375621 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(C)cc2)n1
BDBM50375622 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(I)cc2)n1
BDBM50375623 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Br)cc2)n1
BDBM50375624 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Cl)cc2)n1
BDBM50375625 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(F)cc2)n1
BDBM50375626 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1I
BDBM50375627 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Br
BDBM50375628 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1Cl
BDBM50375629 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccn(CC(=O)Nc2ccc(Cl)cc2)n1
BDBM50375630 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(CC)n(CC(=O)Nc2ccc(Cl)cc2)n1
BDBM50375631 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc3ccccc23)n1
BDBM50375632 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(C)c(C)c2)n1
BDBM50375633 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1
BDBM50375634 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(Cl)c2)n1
BDBM50375635 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)c(OC)c2)n1
BDBM50375636 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc(OC)c2)n1
BDBM50375637 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccccc2)n1
BDBM50396918 COC(=O)c1cnn(c1)-c1nc(NC(C2CC2)C2CC2)c2ncn([C@@H]3[C@H]4C[C@H]4[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50396919 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(I)nc12 |r|
BDBM50396920 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@@H](CC3CC3)C3CC3)nc(Cl)nc12 |r|
BDBM50396921 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H](CC3CC3)C3CC3)nc(Cl)nc12 |r|
BDBM50396922 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
BDBM50396923 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
BDBM50396924 CC(C)[C@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1 |r|
BDBM50396925 CC(C)[C@@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1 |r|
BDBM50396926 CC[C@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1 |r|
BDBM50396927 CC[C@@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C1CC1 |r|
BDBM50396928 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(nc12)-n1cc(cn1)C(O)=O |r|
BDBM50396929 NNc1nc(NC(C2CC2)C2CC2)c2ncn([C@@H]3[C@H]4C[C@H]4[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50396930 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)ncnc12 |r|
BDBM50396931 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H](C3CC3)c3ccccc3)nc(Cl)nc12 |r|
BDBM50396932 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCC(C3CC3)C3CC3)nc(Cl)nc12 |r|
BDBM50396933 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@@H](C3CC3)c3ccccc3)nc(Cl)nc12 |r|
BDBM50414351 CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1
BDBM50414352 CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2cccnc2)cc1
BDBM50414353 CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
BDBM50414354 CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
BDBM50414355 CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
BDBM50414357 CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccon2)cc1
BDBM50414358 CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
BDBM50414359 CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)N(C)C)cc1
BDBM50415879 Cc1ccc(cc1)-c1ncc2[nH]c(=O)n(Cc3ccccc3)c2n1
BDBM50415881 Cc1ccc(cc1)-c1nc(C(=O)Nc2ccccn2)c2CCCCCn12
BDBM97465 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM97464 O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM97467 O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r|
BDBM50413786 CNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(Cl)nc12
BDBM50413787 CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC)nc(Cl)nc12
BDBM50413788 CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)N(C)C
BDBM50413789 CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NC1CC1
BDBM50413790 CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCC1CC1
BDBM50413791 CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCCC(C)C
BDBM50413792 CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM50413793 CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)N1CCN(CC1)c1ccc(F)cc1
BDBM50413794 CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCc1cccc(F)c1
BDBM50413795 CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCCc1cccc(F)c1
BDBM50413796 CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCCC(c1ccccc1)c1ccccc1
BDBM50413797 CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50413798 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50413799 OC1C(O)C(OC1C(=O)NC1CC1)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50413800 OC1C(O)C(OC1C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50413801 OC1C(O)C(OC1C(=O)N1CCOCC1)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50413802 CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50413803 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50413804 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50413805 CC(C)CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50413806 OC1C(O)C(OC1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50413807 OC1C(O)C(OC1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50413808 OC1C(O)C(OC1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50413809 OC1C(O)C(OC1C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50413810 OC1C(O)C(OC1C(=O)N1CCN(CC1)c1ccc(F)cc1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50413811 OC1C(O)C(OC1C(=O)N1CCOCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50413812 OC1C(O)C(OC1C(=O)NCc1cccc(Cl)c1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50413813 OC1C(O)C(OC1C(=O)NCc1cccc(c1)C(F)(F)F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12