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4775 SMILES Strings for Adenosine receptor A2a

Compound NameSMILES String
BDBM50445614 CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
BDBM14487 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM21213 c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
BDBM35778 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccn1
BDBM6643 COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
BDBM15336 CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM16173 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
BDBM14390 CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
BDBM21174 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1
BDBM10850 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
BDBM21173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
BDBM21229 CCCOc1cc(NC(=O)CC)nc(SCCC)n1
BDBM21207 CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21188 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1
BDBM21204 CN(C)[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21192 CCN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21209 CN(C)C[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM10847 Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM10849 Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM14774 FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
BDBM21203 CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21233 CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1
BDBM21208 CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21211 CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
BDBM21214 Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O
BDBM21172 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1
BDBM21226 CCCSc1nc(NC(C)=O)cc(OC)n1
BDBM21182 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1
BDBM21198 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-c1ccc(C)o1
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
BDBM21199 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCOCC2)nc(n1)-c1ccc(C)o1
BDBM21225 CCCOc1cc(NC(=O)CC)nc(SC)n1
BDBM21219 CC1CSc2nc3nn[nH]c3c(=O)n12
BDBM21183 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2cnco2)CC1
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
BDBM21200 COC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21185 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1
BDBM21184 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2ocnc2C)CC1
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
BDBM21212 CN(C)[C@H]1CCN(CCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21186 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2cccn2)CC1
BDBM21193 CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)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
BDBM21187 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)CC1
BDBM21201 CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21232 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1
BDBM21202 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCC2)nc(n1)-c1ccc(C)o1
BDBM21231 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
BDBM21205 CC(C)O[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21195 CN(C)C[C@@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21176 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2cccn2)CC1
BDBM21234 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
BDBM21196 CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21197 CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21280 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
BDBM21179 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-c2nccs2)CC1
BDBM21178 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21177 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nccc2C)CC1
BDBM21181 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2cccn2)-n2cccn2)CC1
BDBM21210 CN(C)C[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
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
BDBM21180 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1
BDBM21194 CN(C)C[C@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21206 CCN[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21236 CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
BDBM21175 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1
BDBM26236 COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26240 COc1cncc(c1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-n1nc(C)cc1C
BDBM26234 COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26253 CN1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26239 COCCOc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26252 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCOCC1
BDBM26244 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(ccn1)N1CCOCC1
BDBM26241 CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
BDBM26248 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(N)n1
BDBM26249 CN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26235 COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26233 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccncc1
BDBM26257 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1
BDBM26242 COC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
BDBM26232 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccnc1
BDBM26231 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1
BDBM26246 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccnc(c1)N1CCOCC1
BDBM26247 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCOCC1
BDBM26245 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(c1)N1CCOCC1
BDBM26250 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1
BDBM26254 COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26251 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCCC1
BDBM26238 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1
BDBM26256 COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26237 COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26255 COC1CN(C1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM26243 CCOC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
BDBM26596 Nc1ncnc2nc(SCCC(O)=O)[nH]c12
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
BDBM50335706 CCC(=O)Nc1nc(cc(n1)-c1ccsc1)-c1ccsc1
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
BDBM50335725 CC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335726 CCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335727 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335734 CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM50335738 CC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
BDBM50335739 CCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
BDBM50335742 CCCC(=O)Nc1nc(cc(n1)-c1cccs1)-c1cccs1
BDBM50335740 CCCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
BDBM50335741 CC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1
BDBM50335743 CCCC(=O)Nc1nc(cc(n1)-c1ccsc1)-c1ccsc1
BDBM50335751 CCCC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1
BDBM50335689 CCC(=O)Nc1nc(cc(n1)-c1ccc(SC)cc1)-c1ccc(SC)cc1
BDBM50335690 CCC(=O)Nc1nc(cc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335691 CCCC(=O)Nc1nc(cc(n1)-c1ccccc1F)-c1ccccc1F
BDBM50335693 CCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
BDBM35784 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
BDBM35785 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1
BDBM35812 COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35839 CC(C)n1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
BDBM35799 CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35800 CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35801 Nc1nc(cc(n1)-c1ccccc1C#N)C(=O)NCc1ccccn1
BDBM35786 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35787 Cc1csc(n1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35832 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)c(C)n1
BDBM35815 CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35816 CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35780 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccncc1
BDBM35781 Cc1cccnc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
BDBM35782 COCc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)n1
BDBM35817 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C#N
BDBM35783 Cc1cccnc1CNC(=O)c1cc(N)nc(c1)-c1ccco1
BDBM35818 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(c1)C#N
BDBM35819 COc1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35813 COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35814 COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35837 CCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
BDBM35802 Nc1nc(cc(n1)-c1cccc(c1)C#N)C(=O)NCc1ccccn1
BDBM35803 COc1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35829 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1
BDBM35830 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1nc(C)ccc1C
BDBM35798 COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35797 COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35776 Cc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)c1
BDBM35835 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)n1C
BDBM35794 Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35795 Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35774 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl
BDBM35775 Cc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
BDBM35838 CCCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
BDBM35796 COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35836 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncc[nH]1
BDBM35828 CN(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
BDBM35811 Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35807 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1Cl
BDBM35808 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(Cl)c1
BDBM35809 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C
BDBM35831 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)cc(C)n1
BDBM35790 Nc1nc(cc(n1)-c1cccc(F)c1)C(=O)NCc1ccccn1
BDBM35791 Nc1nc(cc(n1)-c1ccccc1Cl)C(=O)NCc1ccccn1
BDBM35824 Cc1ccc(o1)-c1cc(ncn1)C(=O)NCc1ccccn1
BDBM35825 Cc1ccc(o1)-c1cc(nc(C)n1)C(=O)NCc1ccccn1
BDBM35826 CC(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
BDBM35792 Nc1nc(cc(n1)-c1cccc(Cl)c1)C(=O)NCc1ccccn1
BDBM35777 COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
BDBM35779 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1cccnc1
BDBM50188542 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2F)c1
BDBM50188543 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(OC)c2)c1
BDBM50188544 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCc2ccccc2)c1
BDBM50188545 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2OC)c1
BDBM50188546 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C)c1
BDBM50188547 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50188548 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1
BDBM50188549 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50188550 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50188551 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(Cl)ccc2Cl)c1
BDBM35806 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(F)c1
BDBM35793 Cc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
BDBM35827 CNc1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
BDBM35820 Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ccccn2)c1C
BDBM35821 CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ccccn1
BDBM35822 Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ncccc2C)c1C
BDBM35788 Nc1nc(cc(n1)-c1ccccc1)C(=O)NCc1ccccn1
BDBM35789 Nc1nc(cc(n1)-c1ccccc1F)C(=O)NCc1ccccn1
BDBM35823 CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ncccc1C
BDBM35810 Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM35833 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccn1C
BDBM35805 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1F
BDBM50176836 CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC
BDBM50091117 Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
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
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
BDBM50037422 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50037429 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM35843 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
BDBM50088421 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
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
BDBM50120764 O=C(Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1)C1CCCC1
BDBM50013711 Nc1ncnc2n(cnc12)C1CCCCC1
BDBM50013721 Nc1ncnc2nc(Br)[nH]c12
BDBM50013702 Nc1ncnc2n(cnc12)C1CCCCCC1
BDBM50041581 Cn1c(\C=C\c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
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
BDBM50157676 CC(=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
BDBM50157664 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCCC1
BDBM50157665 CC(C)CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50157666 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCC1
BDBM50159958 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
BDBM50159959 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
BDBM50159960 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)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|
BDBM50106535 N[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
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
BDBM50147875 Cc1ccc2c(O)cc(nc2n1)-c1ccc(N)cc1
BDBM50147876 CCOc1cc(nc2n(CC)c(=O)ccc12)-c1ccccc1
BDBM50147877 CCCc1cc(O)c2ccc(C)nc2n1
BDBM50147878 CSc1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50147879 NC(=O)Cc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50147880 CCOC(=O)CCN1CCN(CC1)c1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50147881 Oc1cc(nc2nc(ccc12)N1CCOCC1)-c1ccccc1
BDBM50059375 COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
BDBM50059376 COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10|
BDBM50021077 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
BDBM35844 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1nccs1
BDBM50120758 Cc1cn2c(NC3CCCC3)nc(nc2n1)-c1ccccc1
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
BDBM50083915 O=c1c(nnc2[nH]c3ccccc3n12)-c1ccsc1
BDBM50083916 Oc1ccc(cc1)-c1nnc2[nH]c3ccccc3n2c1=O
BDBM50083917 Cn1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
BDBM50083918 Oc1ccc(cc1O)-c1nnc2[nH]c3ccccc3n2c1=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
BDBM50176063 Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1
BDBM35834 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc[nH]1
BDBM35845 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1
BDBM50088422 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)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
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
BDBM50020965 COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50020852 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(N)cc1
BDBM50159965 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(c2)C(F)(F)F)cc1
BDBM50159966 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2C)cc1
BDBM50159967 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2OC)cc1
BDBM50159968 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1
BDBM50159969 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C#N)cc1
BDBM50159970 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
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|
BDBM50199271 CCCCNC(=O)[C@H]1CC[C@@H](CC1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O |wU:7.6,wD:10.13,(.75,-15.2,;-.58,-15.97,;-1.91,-15.2,;-3.25,-15.97,;-4.58,-15.2,;-5.92,-15.97,;-7.25,-15.2,;-5.91,-17.51,;-4.58,-18.29,;-4.58,-19.83,;-5.91,-20.59,;-7.24,-19.83,;-7.24,-18.29,;-5.91,-22.13,;-4.67,-23.03,;-5.14,-24.5,;-6.68,-24.5,;-7.16,-23.03,;-7.45,-25.83,;-8.99,-25.83,;-9.76,-24.49,;-11.3,-24.49,;-6.68,-27.16,;-7.45,-28.5,;-5.14,-27.16,;-4.37,-28.5,;-2.83,-28.5,;-2.06,-27.16,;-4.37,-25.83,;-2.83,-25.82,)|
BDBM50199272 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCCN(C)C
BDBM50152082 CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
BDBM50152084 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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
BDBM50237086 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
BDBM50237087 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(F)c2)nc(n1)-c1ccc(C)o1
BDBM50237088 CN(C)Cc1cc(C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
BDBM50237089 Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(F)cc2)cc(n1)-c1nccs1
BDBM50237090 O=C(COc1cccc(c1)C#N)Nc1cc(nc(n1)-c1ccccn1)-c1nccs1
BDBM50237091 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(F)c2)cc(n1)-c1nccs1
BDBM50237092 COc1cccc(CN(C)C)c1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
BDBM50237093 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CCN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
BDBM50237094 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCCC3)c2)nc(n1)-c1ccc(C)o1
BDBM50237095 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1
BDBM50118810 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50039958 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1cccs1
BDBM50039960 O=c1[nH]c2ccccc2n2nc(nc12)-c1ccco1
BDBM50199984 COc1ccc(Cl)c(CNc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CC3CCCC3)nn2)c1 |r|
BDBM50171749 Cc1ccc2c(S)c(Cc3ccccc3)cnc2n1
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
BDBM50090708 Cc1ccc2c(N)cc(nc2n1)-c1ccccc1
BDBM50090709 Oc1cc(nc2nc(F)ccc12)-c1ccccc1
BDBM50006730 CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50157669 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1
BDBM50157671 CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
BDBM50147656 CC1CCCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
BDBM50147657 Nc1cc(cc2nc(nn12)-c1ccccn1)C(=O)N1CCCC1
BDBM50147648 CCN(CC)C(=O)C1CCCN(C1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
BDBM50147649 Nc1cc(cn2nc(nc12)-c1ccc(Br)o1)C(=O)N1CCCCC1
BDBM50147650 CCN(CC)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50147651 CN(C)C(=O)CN(C)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
BDBM50199268 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)\C=C\C(O)=O
BDBM50199269 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCC(O)=O)(CC1)CC2
BDBM50147652 CCN(CCc1ccccn1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50147653 Nc1cc(cn2nc(nc12)-c1ccc(Br)o1)C(=O)N1CCSCC1
BDBM50147654 CC1CCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50147655 CC1CCCN(C1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
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|
BDBM50237083 CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50237084 CN(C)CCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50237085 CN(C)Cc1ccccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
BDBM50212798 COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
BDBM50165052 Nc1nc(-c2ccco2)c2ncn(CCCc3ccccc3)c2n1
BDBM50165053 Nc1nc(-c2ccco2)c2ncn(Cc3ccc4ccccc4c3)c2n1
BDBM50165054 Nc1nc(-c2ccco2)c2ncn(-c3ccccc3)c2n1
BDBM50165055 COc1ccccc1Cn1cnc2c(nc(N)nc12)-c1ccco1
BDBM50165056 Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3)C(F)(F)F)c2n1
BDBM50165057 Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cc(F)cc3F)c2n1
BDBM50165058 Nc1nc(-c2ccco2)c2ncn(Cc3ccc(Cl)cc3)c2n1
BDBM50165059 Nc1nc(-c2ccco2)c2ncn(Cc3cc4OCOc4cc3Cl)c2n1
BDBM50165060 CC(c1ccccc1)n1cnc2c(nc(N)nc12)-c1ccco1
BDBM50165061 CC(C)c1ccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)cc1
BDBM50165062 COc1cccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50090696 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N1CCNCC1
BDBM50090698 Cc1ccc2c(NN)cc(nc2n1)-c1ccccc1
BDBM50090699 Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1
BDBM50090700 Oc1cc(nc2nc(Br)ccc12)-c1ccccc1
BDBM50090701 Oc1cc(nc2nc(Oc3ccccc3)ccc12)-c1ccccc1
BDBM50090702 Cc1ccc2c(Oc3ccccc3)cc(nc2n1)-c1ccccc1
BDBM50090703 COc1cc(nc2n(C)c(=O)ccc12)-c1ccccc1
BDBM50090704 Cc1ccc2c(NC3CCCCC3)cc(nc2n1)-c1ccccc1
BDBM50090705 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090706 COc1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50090707 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N=[N+]=[N-]
BDBM50090683 Nc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090684 COc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090697 Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
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
BDBM50040047 Cn1c2nnn(C3CCCC3)c2c(=O)n(C)c1=O
BDBM50040048 CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCCC1
BDBM50040049 Cn1c2nnn(-c3ccc(Cl)cc3N)c2c(=O)n(C)c1=O
BDBM50040050 Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCCC1
BDBM50040051 CCCn1c2nnn(C3CCCCC3O)c2c(=O)n(CCC)c1=O
BDBM50040052 CCCn1c2nnn(C3CCCC3)c2c(=O)n(CCC)c1=O
BDBM50040053 Cn1c2nn(nc2c(=O)n(C)c1=O)C1CC2CCC1C2
BDBM50040054 CCCn1c2nn(nc2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
BDBM50040055 Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCC1
BDBM50040056 CCCn1c2nnn(C3CCCCC3)c2c(=O)n(CCC)c1=O
BDBM50040057 Cn1c2nnn(C3CC4CCC3C4)c2c(=O)n(C)c1=O
BDBM50040058 Cn1c2nnn(C3CCCCC3)c2c(=O)n(C)c1=O
BDBM50040060 CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCC1
BDBM35840 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)on1
BDBM35841 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1csc(C)n1
BDBM50088428 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50041591 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
BDBM50018159 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O
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
BDBM50205582 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)ncnc12
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
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
BDBM50028190 CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM50041584 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
BDBM50048454 CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
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|
BDBM50090710 CCOC(=O)N1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1
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
BDBM50190702 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
BDBM50243025 COc1cc2CC(C)N(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2cc1OC
BDBM50243026 COc1cc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)C(Cc3ccccc3)c2cc1OC
BDBM50243027 COCCOc1cccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12
BDBM50243028 COc1ccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1
BDBM50243029 COc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1
BDBM50094891 Nc1cccc2C(=O)c3ccccc3C(=O)c12
BDBM50094895 Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
BDBM50214400 CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O |c:4|
BDBM50214402 CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCCC(C1)C(N)=O |w:42.49,c:22|
BDBM50258763 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccn[nH]2)cc1
BDBM50258764 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccccc2)cc1
BDBM50258765 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
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
BDBM50258762 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccon2)cc1
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
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
BDBM50020847 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1N
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|
BDBM50152092 COc1ccc(cc1)-c1cnn(c1)-c1nc(NCc2cccc(I)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50165063 Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3CS(=O)(=O)c3ccccc3)c2n1
BDBM50165064 Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3F)C(F)(F)F)c2n1
BDBM50165065 Nc1nc(-c2ccco2)c2ncn(Cc3c(Cl)cccc3Cl)c2n1
BDBM50165066 Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3)c2n1
BDBM50165067 Nc1nc(-c2ccco2)c2ncn(Cc3cccc4ccccc34)c2n1
BDBM50165068 Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1
BDBM50165069 Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1
BDBM50165070 Nc1nc(-c2ccco2)c2ncn(Cc3ccc(c(F)c3)C(F)(F)F)c2n1
BDBM50165071 COc1ccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)cc1
BDBM50090685 Cc1ccc2c(S)cc(nc2n1)-c1ccccc1
BDBM50090686 Cc1ccc2ccc(nc2n1)-c1ccccc1
BDBM50090688 Cc1ccc2c(O)cc(nc2n1)-c1ccc(cc1)[N+]([O-])=O
BDBM50090689 Cc1ccc2c(Cl)cc(nc2n1)-c1ccccc1
BDBM50090690 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1F
BDBM50090691 CCOc1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50090692 CCn1c(cc(=O)c2ccc(C)nc12)-c1ccccc1
BDBM50090693 CN(C)c1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50090695 Oc1cc(nc2[nH]c(=O)ccc12)-c1ccccc1
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
BDBM50149356 Oc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
BDBM50149358 Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=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
BDBM50149364 Nc1nc2c(cccc2n2c1nn(-c1ccc(O)cc1)c2=O)[N+]([O-])=O
BDBM50149366 Nc1nc2ccccc2n2c1nn(-c1ccc(O)cc1)c2=O
BDBM50149367 Nc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
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
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
BDBM50001496 CCCn1c2ncn(CC)c2c(=O)n(C)c1=O
BDBM50001497 CCCn1c2ncn(C)c2c(=O)n(C)c1=O
BDBM50001498 CCCCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50001499 CCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
BDBM50001500 CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
BDBM50001501 CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
BDBM50001502 CCn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50001503 CCCn1c2ncn(C)c2c(=O)n(CC)c1=O
BDBM50001506 CCCn1c2ncn(C)c2c(=O)[nH]c1=O
BDBM50001507 CCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12
BDBM50001508 CCCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12
BDBM50001509 CCCn1c2nc[nH]c2c(=O)n(C)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
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
BDBM50159984 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(c2)C(F)(F)F)cc1
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
BDBM50156616 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc(F)c3)CC[C@H]2C1 |r|
BDBM50256298 CCN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50256299 CCN(CCN1CCN(CC1)c1ccc(OCCOC)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50256300 COCCN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169307 Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccccc1
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
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
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
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
BDBM50120765 CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
BDBM50021450 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
BDBM50021004 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N
BDBM50202776 Nc1nc2n(Cc3ccccc3C(F)(F)F)cnc2c2nc(nn12)-c1ccco1
BDBM50202777 Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cc3F)cnc2c2nc(nn12)-c1ccco1
BDBM50202778 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2cccc[n+]2[O-])CC1
BDBM50202779 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)cnc2c2nc(nn12)-c1ccco1
BDBM50202780 CCCn1cnc2c1nc(N)n1nc(nc21)-c1ccco1
BDBM50202781 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccc2C)CC1
BDBM50202782 Nc1nc2n(CCN3CCN(CC3)c3nccs3)cnc2c2nc(nn12)-c1ccco1
BDBM50202783 Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cn3)cnc2c2nc(nn12)-c1ccco1
BDBM50202784 Nc1nc2n(CCc3ccccc3)cnc2c2nc(nn12)-c1ccco1
BDBM50202787 Nc1nc2n(CCN3CCN(CC3)c3ccccc3)cnc2c2nc(nn12)-c1ccco1
BDBM50202788 Nc1nc2n(CCN3CCN(CC3)c3cccc(Cl)c3)cnc2c2nc(nn12)-c1ccco1
BDBM50152071 CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc2ccccc2n1
BDBM50237074 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2ccccc2CCN2CCOCC2)nc(n1)-c1ccc(C)o1
BDBM50237075 COc1cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)ccc1CN(C)C
BDBM50237076 CN(C)Cc1cc(F)cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50237077 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(Cl)c2)cc(n1)-c1nccs1
BDBM50237078 CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50237079 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(c2)C#N)cc(n1)-c1nccs1
BDBM50237080 Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(C)cc2)cc(n1)-c1nccs1
BDBM50237081 Fc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccccn2)-c2nccs2)c1
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
BDBM50258805 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
BDBM50138530 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
BDBM50176059 Cn1c(nc2c(N)nc(CCc3ccccc3)nc12)-n1nccn1
BDBM50176060 Cn1c(nc2c(N)nccc12)-n1nccn1
BDBM50176061 CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
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
BDBM50190437 OCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
BDBM50190433 O=C(Nc1ccncc1)Nc1nc2nn(CCCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50266439 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50266441 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1CO |r|
BDBM50266442 COCC[C@@H]1CCCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50189817 Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
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
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
BDBM50171783 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1
BDBM50171784 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(cc1)[N+]([O-])=O
BDBM50171785 Cc1ccc2c(O)c(cnc2n1)C(=O)OCc1ccccc1
BDBM50171786 CC(=O)Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
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
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
BDBM50273954 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(C)=O
BDBM50273957 CCCn1c(=O)n(C)c2c(O)c([nH]c2c1=O)-c1ccc(cc1)S(C)(=O)=O
BDBM50273958 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccco1
BDBM50171787 Oc1c(cnc2nc(NC3CCCCC3)ccc12)C(=O)NCc1ccccc1
BDBM50171788 Oc1c(cnc2[nH]c(=O)ccc12)C(=O)NCc1ccccc1
BDBM50221697 Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
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
BDBM50248526 COc1cccc(c1)-n1c2nc(NCc3ccccc3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50214404 CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O |c:22|
BDBM50256092 COc1ccc(CCCN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)cc1
BDBM50256093 CN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50256094 CCN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50256148 COCCOc1ccc(cc1)N1CCN(CCSc2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50240579 Cn1cnc2ncnc(N)c12
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
BDBM50279423 CCN(CC)CCOc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50279445 CN(C)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50279446 CCN(CC)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
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
BDBM50237064 CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50237065 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1
BDBM50237066 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(c2)C#N)nc(n1)-c1ccc(C)o1
BDBM50237067 COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
BDBM50237068 COc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c(CN(C)C)c1
BDBM50237069 Cc1ccc(o1)-c1nc(NC(=O)CCc2ccccc2F)cc(n1)-c1nccs1
BDBM50237070 Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2F)cc(n1)-c1nccs1
BDBM50237071 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2nc(C)cc(C)n2)nc(n1)-c1ccc(C)o1
BDBM50237072 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(C)nc(C)c2)nc(n1)-c1ccc(C)o1
BDBM50237073 Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2)cc(n1)-c1nccs1
BDBM50035398 CN1CCC[C@H]1c1cc(C)no1 |r|
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
BDBM50001515 Cn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50001516 CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O
BDBM50083919 O=c1c(n[nH]c2nc3ccccc3n12)-c1ccco1
BDBM50083920 O=c1c(n[nH]c2nc3ccccc3n12)-c1cccs1
BDBM50083922 O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
BDBM50152231 Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1
BDBM50152233 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50202785 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccc2)CC1
BDBM50202786 Nc1nc2n(CCN3CCOCC3)cnc2c2nc(nn12)-c1ccco1
BDBM50161341 CC(C)c1ccc2Cc3c(nc(N)nc3-c3ccc(Br)o3)-c2c1
BDBM50161342 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
BDBM50001512 CCCCn1c(=O)n(CCC)c2ncn(C)c2c1=O
BDBM50001513 CCCn1c2nc[nH]c2c(=O)n(CC)c1=O
BDBM50001514 CCn1c(=O)n(C)c2nc[nH]c2c1=O
BDBM50001489 CCCn1c(=O)n(C)c2nc[nH]c2c1=O
BDBM50001490 CCCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50001491 CCCCn1c2nc[nH]c2c(=O)[nH]c1=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
BDBM50001510 CCn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM50001511 CCCCn1c2nc[nH]c2c(=O)n(C)c1=O
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
BDBM50001492 CCCn1c2ncn(CC)c2c(=O)[nH]c1=O
BDBM50001493 CCCn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50001494 CCCCn1c(=O)n(C)c2nc[nH]c2c1=O
BDBM50186599 C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50102281 Oc1ccc(cc1)-c1nnc2n(Cc3ccccc3)c3ccccc3n2c1=O
BDBM50151183 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1
BDBM50059101 Cc1ccc2c(O)cc(nc2n1)-c1ccc(F)cc1
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
BDBM50080390 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50025584 Cn1c2ncn(CCCl)c2c(=O)n(C)c1=O
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
BDBM50275856 CCN1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50240851 Nc1ncnc2n(Cc3ccccc3)c(Br)nc12
BDBM50025585 Cn1c2ncn(CCO)c2c(=O)n(C)c1=O
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50116381 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1Cc1ccccc1
BDBM50116384 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CC1
BDBM50225882 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3N4C(=O)OCc3ccccc3)ncnc12 |TLB:14:15:21:18.19,THB:22:21:15.16:18.19|
BDBM50225883 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3N4)ncnc12 |w:17.23,20.20,15.15,TEB:14:15:21:18.19|
BDBM50247933 COc1cccc(c1)-n1c2nc(NCCN(C)C)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50247934 COc1cccc(c1)-n1c2nc(NCCc3cccs3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50247931 COc1cccc(c1)-n1c2nc(Nc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50247932 COc1cccc(c1)-n1c2nc(NCCN3CCOCC3)ncc2n(Cc2c(F)cccc2F)c1=O
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
BDBM50266412 CCCC1CCN(C1)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50266413 COC(=O)[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50119160 CC(C)(C)c1ccc(Cn2cc(cn2)-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50119161 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
BDBM50119162 Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119158 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCO)c1
BDBM50119159 CCCc1c(C)nn(c1C)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50256892 CCCn1cnc2ncnc(N)c12
BDBM50256893 CCCn1c(Br)nc2c(N)ncnc12
BDBM50256894 CC(C)n1cnc2ncnc(N)c12
BDBM50256895 CC(C)n1c(Br)nc2c(N)ncnc12
BDBM50256896 CCC(C)n1cnc2c(N)ncnc12
BDBM50119163 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC(O)=O)c1
BDBM50119164 CCOC(=O)CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119165 CCCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119166 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1
BDBM50119167 CN(C)C(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119168 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119169 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCC2CCCCC2)c1
BDBM50034513 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1
BDBM50257096 Nc1ncnc2n(CC(O)CO)c(Br)nc12
BDBM50257097 Nc1ncnc2n(CCc3ccccc3)cnc12
BDBM50176830 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
BDBM50176831 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
BDBM50262386 Cc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccccc1
BDBM50265982 CC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50265983 COCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50265984 COC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50266020 O=C(c1sc(NCc2ccco2)nc1-c1ccco1)c1ccccc1
BDBM50266021 O=C(c1sc(NCc2cccs2)nc1-c1ccco1)c1ccccc1
BDBM50266022 O=C(c1sc(NCCc2ccc3OCOc3c2)nc1-c1ccco1)c1ccccc1
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
BDBM50262436 Nc1nc(cc(-c2cccs2)c1C#N)-c1ccco1
BDBM50262437 Nc1nc(cc(-c2ccccc2)c1C#N)-c1cccs1
BDBM50243695 Nc1nc2n(CCN3CCc4ccc(Cl)cc4CC3)ncc2c2nc(nn12)-c1ccco1
BDBM50243696 COc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1
BDBM50243697 COCCOc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1
BDBM50243698 Nc1nc2n(CCN3CCc4ncccc4C3)ncc2c2nc(nn12)-c1ccco1
BDBM50119150 CCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119151 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC=C)c1
BDBM50119152 CCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50218916 COc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
BDBM50202528 CCc1nn(C2CCCC2)c-2c1CCn1c(nnc-21)-c1cccs1
BDBM50011596 C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21
BDBM50119144 COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50008415 OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50053929 Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50170831 C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
BDBM50273309 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O
BDBM50170945 CCc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O
BDBM50242941 Nc1nc2n(CCN3CCc4ncc(cc4C3)-c3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50224360 Clc1cccc(c1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O
BDBM50224361 Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(Cl)cc1)c2=O
BDBM50001517 CCn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM50242935 COCCOc1cccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12
BDBM50242936 COc1ccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1
BDBM50242937 Nc1nc2n(CCN3CCc4ccccc4C3)ncc2c2nc(nn12)-c1ccco1
BDBM50242939 Nc1nc2n(CCN3CCc4ncncc4C3)ncc2c2nc(nn12)-c1ccco1
BDBM50242940 Nc1nc2n(CCN3CCc4nc(ccc4C3)C(F)(F)F)ncc2c2nc(nn12)-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
BDBM50119157 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCc2ccccc2)c1
BDBM50243660 Nc1nc2n(CCN3CCc4ccc(cc4CC3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1
BDBM50119146 CNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119147 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn[nH]c1
BDBM50119148 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
BDBM50119149 Cc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119131 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NC1CCCC1
BDBM50119132 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119154 CCCNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119155 CN(C)C(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119156 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC2CCCCC2)c1
BDBM50243656 Nc1nc2n(CCN3Cc4ccccc4C3)ncc2c2nc(nn12)-c1ccco1
BDBM50243657 COc1cccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12
BDBM50243658 COCCOc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1
BDBM50243659 Nc1nc2n(CCN3CCc4ccccc4CC3)ncc2c2nc(nn12)-c1ccco1
BDBM50243661 Nc1nc2n(CCN3CCc4ccc(Br)cc4CC3)ncc2c2nc(nn12)-c1ccco1
BDBM50117109 Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-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
BDBM50149136 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(OCC)cc1
BDBM50149137 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
BDBM50159979 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C)cc1
BDBM50159980 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C#N)cc1
BDBM50159981 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C(F)(F)F)cc1
BDBM50159982 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(C)c2)cc1
BDBM50159983 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(OC)c2)cc1
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
BDBM50275961 CN1CCC(C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50275962 CN1CC[C@H](C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
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
BDBM50248575 COc1cccc(c1)-n1c2nc(NCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50248576 COc1cccc(c1)-n1c2nc(NCc3ccncc3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50248577 COc1cccc(c1)-n1c2nc(NCc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50248578 COc1cccc(c1)-n1c2nc(NCCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O
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
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
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
BDBM50009680 Nc1ncnc2n(cnc12)C1CCCC1
BDBM50009552 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM50202769 COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(F)c1
BDBM50171764 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(N)cc1
BDBM50171765 CN1CCN(CC1)NC(=O)c1cnc2nc(C)ccc2c1O
BDBM50171766 Cc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
BDBM50171767 CC(C)CCNC(=O)c1cnc2nc(C)ccc2c1O
BDBM50171768 Oc1c(cnc2nc(NCc3ccccc3)ccc12)C(=O)NCc1ccccc1
BDBM50171769 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
BDBM50171770 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
BDBM50171771 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1
BDBM50171772 Oc1c(cnc2nc(NCCc3ccccc3)ccc12)C(=O)NCc1ccccc1
BDBM50171756 Cc1ccc2c(O)c(CC(=O)NC3CCCCC3)cnc2n1
BDBM50171757 Cc1ccc2c(NC3CCCCC3)c(Cc3ccccc3)cnc2n1
BDBM50171758 Cc1ccc2c(O)c(Cc3ccccc3)cnc2n1
BDBM50171759 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccco1
BDBM50171760 Cc1ccc2c(O)c(Cc3ccccc3Cl)cnc2n1
BDBM50171761 Cc1ccc2c(O)c(cnc2n1)C(=O)NN1CCOCC1
BDBM50171762 Cc1ccc2c(NN)c(Cc3ccccc3)cnc2n1
BDBM50171763 COc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
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
BDBM50119135 Cc1cc(nn1-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)-c1ccccc1
BDBM50119136 CCCCCCCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119137 CCCCc1c(C)nn(c1C)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119138 NC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119139 CCNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119140 COC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119141 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC2CCCCC2)c1
BDBM50242873 Cc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1
BDBM50242874 Nc1nc2n(CCN3CCc4ncc(cc4C3)C3CC3)ncc2c2nc(nn12)-c1ccco1
BDBM50242875 Nc1nc2n(CCN3CCc4ncc(Br)cc4C3)ncc2c2nc(nn12)-c1ccco1
BDBM50242876 COCCOc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1
BDBM50020988 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
BDBM50119142 CCOC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50119143 CC(C)n1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
BDBM50095786 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccco1
BDBM50095787 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(c1)C#N
BDBM50095788 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccccc1F
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
BDBM50119133 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCc2ccccc2)c1
BDBM50119134 Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |w:5.5|
BDBM50159961 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2F)cc1
BDBM50159962 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(F)c2)cc1
BDBM50159963 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(OC)cc2)cc1
BDBM50159971 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(F)cc2)cc1
BDBM50159972 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1
BDBM50159973 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(Cl)c2)cc1
BDBM50159974 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(C)cc2)cc1
BDBM50159975 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1
BDBM50159976 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(F)c2)cc1
BDBM50159977 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2Cl)cc1
BDBM50186588 C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50186590 CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
BDBM50194821 CCOc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
BDBM50194822 COc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
BDBM50194823 Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
BDBM50194824 CSc1nc(N)nc(n1)-c1cccc(c1)-c1ccc2[nH]ccc2c1
BDBM50194825 Nc1nc(cc(-c2ccc(F)cc2)c1C#N)C1CC1
BDBM50194826 Nc1nc2CCCc2c(-c2ccc(F)cc2)c1C#N
BDBM50194827 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1
BDBM50176051 CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
BDBM50176054 Cc1cc2n(C)c(nc2c(N)n1)-n1nccn1
BDBM50176055 CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
BDBM50176057 Cn1c(nc2c(N)ncnc12)-n1nccn1
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|
BDBM50176050 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
BDBM50009697 Nc1ncnc2n(CCO)cnc12
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
BDBM50147658 Nc1cc(cc2nc(nn12)-c1ccco1)C(=O)N1CCCC1
BDBM50147659 Cc1ccc(o1)-c1nc2cc(cc(N)n2n1)C(=O)N1CCCC1
BDBM50147660 Cc1ccc(o1)-c1nc2cc(cc(N)n2n1)C(=O)N1CCCCC1
BDBM50147661 Nc1cc(cc2nc(nn12)-c1ccc(Br)o1)C(=O)N1CCCC1
BDBM50147662 Nc1cc(cn2nc(nc12)-c1ccc(Br)o1)C(=O)N1CCCC1
BDBM50147663 COC[C@@H]1CCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
BDBM50147671 CN(CCc1ccccc1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50147672 CCN(CCc1ccccn1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
BDBM50194811 Cc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccccc1
BDBM50194812 COc1cccc(c1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F
BDBM50194813 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc1
BDBM50091132 Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
BDBM50091133 Nc1nc2ccc(Cl)cc2c2cn(nc12)-c1ccccc1
BDBM50091135 Nc1nc2ccccc2c2cn(nc12)-c1ccc(Cl)cc1
BDBM50091139 Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
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|
BDBM50194814 Nc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccc1
BDBM50040064 Cn1nc2n(C)c(=O)n(C)c(=O)c2n1
BDBM50100418 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
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
BDBM50202765 Nc1nc2n(Cc3ccccc3Cl)cnc2c2nc(nn12)-c1ccco1
BDBM50202766 Nc1nc2n(CCN3CCC(CC3)c3ccc(F)cc3)cnc2c2nc(nn12)-c1ccco1
BDBM50237082 CN(C)Cc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1
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
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|
BDBM50202789 Nc1nc2n(CCN3CCN(CC3)c3ncc(F)cn3)cnc2c2nc(nn12)-c1ccco1
BDBM50202790 COCCOc1ccc(cc1)C1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50202791 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccccc2C(F)(F)F)CC1
BDBM50202792 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccccc2F)CC1
BDBM50248262 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O
BDBM50248263 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2OC)c1=O |(17.32,5.78,;16.55,4.46,;17.32,3.12,;18.85,3.12,;19.63,1.78,;18.85,.45,;17.31,.45,;16.55,1.8,;15.01,1.81,;14.23,.48,;12.77,,;11.44,.78,;10.11,,;10.11,-1.54,;8.78,-2.31,;7.44,-1.54,;6.66,-.21,;5.9,-1.54,;11.44,-2.3,;12.77,-1.54,;14.24,-2.02,;14.98,-3.36,;14.18,-4.68,;14.93,-6.02,;16.47,-6.05,;17.26,-4.72,;16.51,-3.38,;17.3,-2.06,;18.84,-2.08,;15.14,-.77,;16.68,-.77,)|
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
BDBM50252210 CC(N1CCOCC1)c1ccc2cc(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)ccc2n1
BDBM50252211 Nc1nc2n(CCc3ccc4nc(ccc4c3)N3CCOCC3)ncc2c2nc(nn12)-c1ccco1
BDBM50139740 COc1cccc(c1)-c1nnc(Cc2cccc(c2)[N+]([O-])=O)[nH]1
BDBM50108028 Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
BDBM50255246 CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COC |r|
BDBM50255247 COC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(n1)-n1nc(C)cc1C |r|
BDBM50255248 COC[C@H]1CCCN1c1cc(NC(=O)CC(C)C)nc(n1)-n1nc(C)cc1C |r|
BDBM50255249 CCN(CC)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50255250 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1
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
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
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
BDBM50236760 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
BDBM50252209 Nc1nc2n(CCc3ccc4nc(ccc4c3)C(=O)N3CCOCC3)ncc2c2nc(nn12)-c1ccco1
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
BDBM50080286 CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-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
BDBM50205280 CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50202770 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccn2)CC1
BDBM50202771 COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(c1)C(F)(F)F
BDBM50202772 Nc1nc2n(Cc3ccccc3)cnc2c2nc(nn12)-c1ccco1
BDBM50202773 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50202774 Nc1nc2n(Cc3ccccc3Br)cnc2c2nc(nn12)-c1ccco1
BDBM50202775 COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50202767 Cc1ccc(nc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50202768 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2cccc(F)c2)CC1
BDBM50238959 CC(C)c1nc(-c2nccs2)c2sccc2n1
BDBM50207816 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
BDBM50158782 CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
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|
BDBM50253998 Nc1nc(-c2ccco2)c2[nH]nnc2n1
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
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
BDBM50147669 CC1CCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
BDBM50147670 CCCN(C)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
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
BDBM50194815 CCSc1nc(N)nc(n1)-c1ccccc1
BDBM50086147 Cc1cccc(c1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50086152 Nc1nc2c(NCc3ccccc3)cccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086153 Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
BDBM50086127 Nc1nc2ccccc2n2c1nn(-c1cccc(F)c1)c2=O
BDBM50086131 Cc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
BDBM50086132 Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
BDBM50086140 O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
BDBM50151179 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1
BDBM50170816 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12
BDBM50170817 Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12
BDBM50170818 C1CCC(CC1)Nc1nc(Sc2ccccc2)nc2nc[nH]c12
BDBM50170826 Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc12
BDBM50170827 C1CC2CC1CC2Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 |TLB:7:6:3:1.0|
BDBM50202571 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)o3)ncnc12 |r|
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
BDBM50266473 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1COc1ccccn1 |r|
BDBM50266474 COC[C@H]1C[C@@H](CN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C)OC |r|
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|
BDBM50262388 Nc1nc(cc(-c2ccco2)c1C#N)-c1ccccc1
BDBM50268131 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
BDBM50308491 Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50262204 Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1ccco1
BDBM50262205 COc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccco1
BDBM50239041 Nc1nc(-c2ccco2)c2[nH]cnc2n1
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
BDBM50256201 COCCOc1ccc(cc1)N1CCN(CCNc2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50256202 COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50194816 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccccc2)cc1
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
BDBM50194817 Nc1nc(cc(-c2ccccc2Cl)c1C#N)-c1ccccc1
BDBM50194818 COc1ccc(cn1)-c1cccc(c1)-c1nc(N)nc(SC)n1
BDBM50194819 Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1Cl
BDBM50194820 Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1cccnc1
BDBM50248378 COc1cccc(Cn2c3nc(NC4CC4)ncc3n(Cc3ccccc3OC)c2=O)c1
BDBM50262265 COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1ccco1
BDBM50262266 Nc1nc(cc(-c2ccc3OCOc3c2)c1C#N)-c1ccco1
BDBM50262267 Nc1nc(cc(-c2ccc(O)cc2)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
BDBM50248433 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50219386 CC1(C)CC(CC(C)(C)N1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50188569 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
BDBM50188570 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2)c1
BDBM50153337 COc1ccc(CCNC(N)=Nc2nc(C)cc(C)n2)cc1 |w:11.11|
BDBM50147664 CN(C)C(=O)CN(C)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50202983 COC(C)COc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 |w:2.2|
BDBM50202984 Nc1nc2n(CCN3CCN(CC3)c3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1
BDBM50202985 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)c(F)c3F)ncc2c2nc(nn12)-c1ccco1
BDBM50202986 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50203001 CC(=O)COc1ccc(cc1)N1CCN(CCn2ncc3c4nc(nn4c(N)nc23)-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
BDBM50147665 COC[C@H]1CCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
BDBM50147666 Nc1cc(cn2nc(nc12)-c1ccco1)C(=O)N1CCCC1
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
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|
BDBM50042210 Cn1cnc2[nH]c(=O)n(C)c(=O)c12
BDBM50147872 Cc1cc(O)c2ccc(=O)[nH]c2n1
BDBM50147873 Oc1cc(nc2nc(ccc12)N1CCCCC1)-c1ccccc1
BDBM50147874 Oc1cc(nc2nc(ccc12)N1CCNCC1)-c1ccccc1
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
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|
BDBM50163018 COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50248318 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(C)c2)c1=O
BDBM50248319 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(OC(F)(F)F)c2)c1=O
BDBM50248320 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(c2)C#N)c1=O
BDBM50205281 CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
BDBM50248317 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(F)c2)c1=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
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
BDBM50147870 Cc1ccc2c(O)ccnc2n1
BDBM50147871 Cc1ccc2c(O)cc(nc2n1)-c1cccc(N)c1
BDBM50233810 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCN1CCCCC1
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
BDBM50151188 Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F
BDBM50147867 CCCc1cc(O)c2ccc(N)nc2n1
BDBM50147868 CCOc1cc(nc2nc(Br)ccc12)-c1ccccc1
BDBM50147869 CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1
BDBM50266382 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCOCC1
BDBM50266384 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCc2ccccc2C1
BDBM50266385 CC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
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
BDBM50233099 Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)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|
BDBM50273310 CCCn1c2c(OS(O)(=O)=O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccco1
BDBM50273312 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
BDBM50266380 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCCC1
BDBM50266381 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1=O
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
BDBM50225884 CC(C)(C)OC(=O)N1CC[C@H](C1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50225885 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCSC3)ncnc12
BDBM50147863 CCOc1ccc2c(OCC)cc(nc2n1)-c1ccccc1
BDBM50147864 Cc1ccc2c(O)cc(nc2n1)-c1cccc(c1)[N+]([O-])=O
BDBM50147865 CCOc1ccc2c(n1)n(CC)c(cc2=O)-c1ccccc1
BDBM50147866 Cc1cc(O)c2ccc(N)nc2n1
BDBM50199289 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
BDBM50086141 Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n21
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
BDBM50147860 Cc1ccc2c(N)ccnc2n1
BDBM50147861 CCOC(=O)CCN1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1
BDBM50147862 Cc1ccc2c(O)cc(Cc3ccccc3)nc2n1
BDBM50188552 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2Cl)c1
BDBM50188553 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50188555 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50188558 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2F)c1
BDBM50188559 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)cc2)c1
BDBM50188560 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1)-c1ccccc1
BDBM50233809 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN3CCCCC3)nc12
BDBM50233816 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN(C(C)C)C3CCCC3)nc12
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
BDBM50158768 CC(C)CCn1cc2c(n1)nc(NC(=O)CCCNC(=O)OC(C)(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
BDBM50308487 O=C(Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1)c1ccco1
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
BDBM50266054 CN(Cc1ccccc1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50266086 O=C(c1sc(nc1-c1ccco1)N(CCc1cccs1)Cc1ccccc1)c1ccccc1
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
BDBM50145226 CCCCc1nc2ccccc2c2nc(nn12)-c1ccccc1
BDBM50145227 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(OC)cc1
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
BDBM50257057 CC(O)Cn1c(Br)nc2c(N)ncnc12
BDBM50165325 COc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
BDBM50049391 Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
BDBM50095778 Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1
BDBM50095781 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCCC1)-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
BDBM50188564 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50188565 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2F)c1
BDBM50188566 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCCc2ccccc2)c1
BDBM50188583 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50257095 Nc1ncnc2ncn(CC(O)CO)c12
BDBM50257098 Nc1ncnc2n(CCc3ccccc3)c(Br)nc12
BDBM50049750 C(Oc1cccnc1)[C@@H]1CCN1 |r|
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
BDBM50266503 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 |r|
BDBM50266504 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1nccs1 |r|
BDBM50051230 Nc1nc2n[nH]cc2c2nc(nn12)-c1ccco1
BDBM50051234 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50117241 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Br)cc1
BDBM50117242 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccnc1
BDBM50169338 COc1ccccc1-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50082416 CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50202994 Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50202995 CS(=O)COc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50202996 Nc1nc2n(CCN3CCN(CC3)c3ccccc3F)ncc2c2nc(nn12)-c1ccco1
BDBM50202997 Nc1nc2n(CCN3CCN(CC3)c3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50202998 Nc1nc2n(CCN3CCN(CC3)c3ccc(OCCO)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50202999 Nc1nc2n(CCN3CCN(CC3)c3c(F)cc(F)cc3F)ncc2c2nc(nn12)-c1ccco1
BDBM50203000 Nc1nc2n(CCN3CCN(CC3)c3ccc(OCCOC4CC4)cc3)ncc2c2nc(nn12)-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|
BDBM50202987 CCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50202988 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)c(F)c3)ncc2c2nc(nn12)-c1ccco1
BDBM50202989 COCCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50202990 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)ncc2c2nc(nn12)-c1ccco1
BDBM50202991 COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(F)c1
BDBM50202992 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50202993 Nc1nc2n(CCN3CCN(CC3)c3ccccc3)ncc2c2nc(nn12)-c1ccco1
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
BDBM50147667 CCN(CC)C(=O)C1CCCN(C1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50147668 Nc1cc(cc2nc(nn12)-c1cccs1)C(=O)N1CCCC1
BDBM50163021 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50147858 CN(C)c1ccc2c(O)cc(nc2n1)-c1ccccc1
BDBM50147859 Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1
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
BDBM50266440 CCOCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50266443 COC[C@@H]1CCC(C)N1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
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
BDBM50166745 N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1
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
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|
BDBM50188585 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1
BDBM50308505 COc1cc(cc(OC)c1OC)-c1nc(NC(C)=O)sc1-c1ccncc1
BDBM50308506 CCCn1c(=O)n(CCc2ccc(N)cc2)c2ncn(CCN(CC)CCO)c2c1=O
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,)|
BDBM50276707 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CC1
BDBM50268108 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
BDBM50268257 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50279420 COc1cc(ccc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50279421 COc1cc(ccc1OCCN1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50279422 COc1ccc(cc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50268247 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
BDBM50173176 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCc1ccc(O)cc1
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|
BDBM50147637 Nc1cc(cc2nc(nn12)-c1ccco1)C(=O)N1CCCCC1
BDBM50147638 Nc1cc(cc2nc(nn12)-c1ccc(Br)o1)C(=O)N1CCCCC1
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
BDBM50205579 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccncc4)cc3)ncnc12
BDBM50147639 COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50147640 Nc1cc(cn2nc(nc12)-c1ccccn1)C(=O)N1CCCC1
BDBM50147641 CC1CCCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50147642 Nc1cc(cn2nc(nc12)-c1cccs1)C(=O)N1CCCC1
BDBM50147643 CC1CCCN(C1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50147644 CN(CCc1ccccc1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
BDBM50147645 CCCN(C)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50147646 Nc1cc(cc2nc(nn12)-c1ccc(Br)o1)C(=O)N1CCSCC1
BDBM50147647 CCN(CC)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1
BDBM50159713 CC(O)(Cc1ccncc1)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
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
BDBM50258673 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2cccs2)cc1
BDBM50258674 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccn2)cc1
BDBM50256145 Nc1nc(OCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1
BDBM50116367 CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)-c1ccccc1
BDBM50013685 CC(C)n1cnc2c(N)ncnc12
BDBM50171751 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(F)cc1
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
BDBM50256146 COCCOc1ccc(cc1)N1CCN(CCOc2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50256147 Nc1nc(SCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1
BDBM50218919 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
BDBM50218922 O=c1[nH]c2ccccc2c2cn(nc12)-c1ccccc1
BDBM50218924 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccc(C)cc1
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
BDBM50258675 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccco2)cc1
BDBM50171752 CC(=O)N(C(C)=O)c1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
BDBM50171753 Cc1ccc2c(O)c(cnc2n1)C(=O)NCCc1ccccc1
BDBM50171754 CC1CCC(CC1)NC(=O)c1cnc2nc(C)ccc2c1O |(7.36,-8.29,;7.36,-6.75,;6.03,-5.98,;6.03,-4.43,;7.36,-3.66,;8.69,-4.43,;8.69,-5.98,;7.35,-2.12,;6.02,-1.36,;6,.18,;4.67,-2.15,;4.7,-3.69,;3.37,-4.46,;2.03,-3.69,;.68,-4.48,;-.65,-3.71,;-1.98,-4.48,;-.65,-2.17,;.68,-1.38,;2.03,-2.15,;3.34,-1.38,;3.34,.16,)|
BDBM50171755 CC(NC(=O)c1cnc2nc(C)ccc2c1O)c1ccccc1
BDBM50141004 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2cccc(F)c2)nn1C
BDBM50256090 COc1ccc(CCCc2cc3nc(nn3c(N)n2)-c2ccco2)cc1
BDBM50256091 COc1ccc(CN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)cc1
BDBM50139739 S=C(Cc1ccccc1)NN=Cc1ccc2ccccc2n1 |w:10.10|
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
BDBM50233079 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)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
BDBM50014260 Cn1cnc2n(C)c(=O)[nH]c(=O)c12
BDBM50273908 CCCn1c2cc(-c3ccc(OC)cc3)n(O)c2c(=O)n(CCC)c1=O
BDBM50273909 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1
BDBM50241444 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
BDBM50225876 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3N4C(=O)OCc3ccccc3Cl)ncnc12 |TLB:14:15:21:18.19,THB:22:21:15.16:18.19|
BDBM50225877 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CC[Se]C3)ncnc12
BDBM50225878 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCN(C3)C(=O)OCc3ccccc3)ncnc12
BDBM50225879 CC(=O)N1CC[C@H](C1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50225880 CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |TLB:5:7:12.13:9.10,THB:14:12:7:9.10|
BDBM50225881 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3N4C(=O)OCc3ccccc3Br)ncnc12 |TLB:14:15:21:18.19,THB:22:21:15.16:18.19|
BDBM50177307 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50213737 Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
BDBM50006710 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50147633 Cc1ccc(o1)-c1nc2c(N)cc(cn2n1)C(=O)N1CCCC1
BDBM50147634 Cc1ccc(o1)-c1nc2c(N)cc(cn2n1)C(=O)N1CCCCC1
BDBM50147635 Nc1cc(cn2nc(nc12)-c1ccco1)C(=O)N1CCCCC1
BDBM50147636 COC[C@H]1CCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1
BDBM50236738 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
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
BDBM50151865 O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
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
BDBM50275913 CN1CC[C@@H](C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50275914 CN1CC[C@H](C1)OCc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50275915 CN1CC[C@@H](C1)OCc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
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
BDBM50176826 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
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
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
BDBM50265408 [O-][N+](=O)c1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)-c2ccccc2)cc1
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
BDBM50116379 CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
BDBM50080288 CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
BDBM50080289 Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
BDBM50080290 Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1
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
BDBM50171782 CN(C)c1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
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
BDBM50199301 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2
BDBM50171773 Cc1ccc2c(N=[N+]=[N-])c(Cc3ccccc3)cnc2n1
BDBM50171774 Cc1ccc2c(O)c(CC(=O)NCc3ccccc3)cnc2n1
BDBM50171775 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(NC(=O)c2ccccc2)cc1
BDBM50171776 Oc1c(cnc2ncccc12)C(=O)NCc1ccccc1
BDBM50171777 Cc1ccc2c(O)c(cnc2n1)C(=O)NC1CCCCC1
BDBM50171778 Cc1ccc2c(Cl)c(Cc3ccccc3)cnc2n1
BDBM50171779 Oc1c(cnc2nc(Cl)ccc12)C(=O)NCc1ccccc1
BDBM50171780 OCCN(CCO)c1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
BDBM50171781 Oc1c(cnc2nc(Br)ccc12)C(=O)NCc1ccccc1
BDBM50266414 COC(=O)[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50266415 COCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
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
BDBM50085371 COc1ccc(NC(=O)Nc2nc3nn(CC=C)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50098221 CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC
BDBM50275857 CC(C)N1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50275858 CN1CCC(CC1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50275859 CN1CCCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50262438 Nc1nc(cc(-c2ccccc2)c1C#N)-c1ccc[nH]1
BDBM50080292 Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)|
BDBM50232154 CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
BDBM50232155 Nc1cc(nc(n1)-c1ccco1)-n1cccn1
BDBM50232156 O=C(CN1CCOCC1)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
BDBM50232157 CN(C)CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1
BDBM50176818 CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCCC
BDBM50176819 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
BDBM50176821 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
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
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
BDBM50104338 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCN(C)CC1
BDBM50176849 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
BDBM50108041 CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)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
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
BDBM50310893 Cc1ccc(s1)C(=O)c1ncnc2ccsc12
BDBM50310894 Cc1ccc(s1)C(=O)c1nc(C)nc2ccsc12
BDBM50310895 CCc1nc(C(=O)c2ccc(C)s2)c2sccc2n1
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
BDBM50310901 Cc1ccc(s1)C(=O)c1nc(NCc2ccccn2)nc2ccsc12
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
BDBM50310896 Cc1ccc(s1)C(=O)c1nc(N)nc2ccsc12
BDBM50310897 CCNc1nc(C(=O)c2ccc(C)s2)c2sccc2n1
BDBM50310898 Cc1ccc(s1)C(=O)c1nc(NCC2CCCCC2)nc2ccsc12
BDBM50310899 Cc1ccc(s1)C(=O)c1nc(NCc2ccccc2)nc2ccsc12
BDBM50310900 CC(Nc1nc(C(=O)c2ccc(C)s2)c2sccc2n1)c1ccccc1
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
BDBM50316880 CC(C)N1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316881 CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316882 CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
BDBM50316883 CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316903 Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50316994 CC1CCC(C)N1Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
BDBM50316995 Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316996 Nc1nc2-c3cc(CNCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316997 Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316998 Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50316999 CN1CCN(CC1)NCc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50317000 CN1CCN(CC1)NCc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
BDBM50317001 Nc1nc2-c3cc(CNN4CCCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50317002 Nc1nc2-c3cc(CNN4CCC(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50317003 Nc1nc2-c3cc(CNN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50317004 Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50317005 Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50317006 CN(C)CCN(C)Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50317007 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1
BDBM50304630 CNc1ncnc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1 |r|
BDBM50257072 O=C(Cc1ccccc1)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O
BDBM50316868 CN1CCCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316869 CN(C)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316870 CCN(CC)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316871 CCN(CC)CCNC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316872 Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)NCCN1CCOCC1
BDBM50316873 CN(C1CCN(C)CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316874 CC(C)N1CCC(CC1)NC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316875 Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1
BDBM50316876 CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316992 Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccccc1
BDBM50316993 Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50317011 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1nccs1
BDBM50317012 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccncc1
BDBM50317013 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)cc1
BDBM50317014 COc1cccc(c1)-c1nc(N)nc2-c3ccccc3C(=O)c12
BDBM50317015 COc1ccccc1-c1nc(N)nc2-c3ccccc3C(=O)c12
BDBM50317016 CN(C)CCN(C)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
BDBM50317017 CCN(CC)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
BDBM50317018 Nc1nc2-c3c(cccc3CN3CCCCC3)C(=O)c2c(n1)-c1ccccc1
BDBM50317019 CN1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1
BDBM50317020 CC(=O)N1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1
BDBM50317021 Nc1nc2-c3c(cccc3CN3CCCCCC3)C(=O)c2c(n1)-c1ccccc1
BDBM50317022 Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccccc1
BDBM50317023 Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50317024 Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1cccc(c1)C#N
BDBM50304633 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50304635 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50316884 CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
BDBM50316885 CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1)C(C)C
BDBM50316886 Nc1nc2-c3cc(OCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316887 Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316888 Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50316889 Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316890 Nc1nc2-c3cc(OCCN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
BDBM50316891 CN(C)CCN(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316892 Nc1nc2-c3cc(NCCc4ccncc4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316893 Nc1nc2-c3cc(NCCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316894 Nc1nc2-c3cc(NCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316895 Nc1nc2-c3cc(NCCN4CCS(=O)(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50316896 CCN1CCC(CC1)Nc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50318241 Cc1cc(C)nc(NC(N)=NCCc2c[nH]c3ccc(F)cc23)n1 |w:10.10|
BDBM50318243 Cc1cc(C)nc(NC(N)=NCCc2ccsc2)n1 |w:10.10|
BDBM50318244 C[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r|
BDBM50318245 Cc1cccc(Nc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1
BDBM50318246 Cc1ccc2nc(Nc3nc(C)cc(C)n3)[nH]c2c1
BDBM50318247 COc1ccc2c(c1)oc1c(-c3ccncc3)c(C#N)c(N)c(C#N)c21
BDBM50318248 NC(Nc1ncccn1)=NCCc1c[nH]c2ccccc12 |w:9.10|
BDBM50318249 CNc1ccccc1C(=O)NC(N)=Nc1nc(C)c2ccccc2n1 |w:13.14|
BDBM50318250 COc1ccc(cc1OC)-c1cc(=O)[nH]c(Nc2ccccc2)n1
BDBM50318251 COc1ccc2c(CCN=C(N)Nc3nc(C)cc(C)n3)c[nH]c2c1 |w:9.8|
BDBM50293031 CNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50318272 O=C(Nc1ccccc1)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
BDBM50318267 COc1ccc(cc1)C(=O)Nc1nc(nc2nn(C)cc12)-c1ccccc1
BDBM50318268 Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
BDBM50256419 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cnco1
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
BDBM50321519 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12
BDBM50321521 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12
BDBM50321522 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(c4)C(F)(F)F)c3)sc12
BDBM50321523 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12
BDBM50321524 COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
BDBM50321525 COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
BDBM50321526 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
BDBM50321527 COc1ccc(N(CC(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
BDBM50321528 COc1ccc(N(CC(F)(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
BDBM50321529 COc1ccc(N(C(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
BDBM50321530 COc1ccc(N(CCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
BDBM50321531 COc1ccc(N(CCCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
BDBM50321532 COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
BDBM50321533 COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
BDBM50321534 COc1ccc(N(CC(O)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
BDBM50318271 Clc1cccc(c1)C(=O)Nc1nc(nc2nn(Cc3ccccc3)cc12)-c1ccccc1
BDBM50321535 COc1ccc(N(CC(N)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
BDBM50321536 CNC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
BDBM50253992 Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1
BDBM50253993 Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1
BDBM50253994 Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1
BDBM50253995 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1
BDBM50310919 O=C(c1cccnc1)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310920 O=C(c1ccncc1)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310921 Clc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
BDBM50310922 Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
BDBM50310923 CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
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|
BDBM50254974 CC(C)Cn1c2nc3[nH]c(cn3c2c(=O)n(CC(C)C)c1=O)-c1ccccc1
BDBM50310902 Cc1ccc(s1)C(=O)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310903 Cc1ccc(s1)C(=O)c1nc(NCc2ccncn2)nc2ccsc12
BDBM50310904 Cc1ccc(s1)C(=O)c1nc(NC(=O)c2cccnc2)nc2ccsc12
BDBM50310905 Cc1ccc(s1)C(=O)c1nc(NCCc2ccccn2)nc2ccsc12
BDBM50310906 Cc1ccc(s1)C(=O)c1nc(NCCc2cccnc2)nc2ccsc12
BDBM50310907 CN(Cc1cccnc1)c1nc(C(=O)c2ccc(C)s2)c2sccc2n1
BDBM50310908 CC(Nc1nc(C(=O)c2ccc(C)s2)c2sccc2n1)c1ccccn1
BDBM50310909 CC(Nc1nc(C(=O)c2ccc(C)s2)c2sccc2n1)c1cccnc1
BDBM50310910 Clc1ccc(s1)C(=O)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310911 Cc1ccc(o1)C(=O)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310912 O=C(c1cccs1)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310913 O=C(c1ccsc1)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310914 O=C(c1nccs1)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310915 O=C(c1cncs1)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310916 O=C(c1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310917 Cc1ccc(cc1)C(=O)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310918 COc1ccc(cc1)C(=O)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310924 CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
BDBM50310925 CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
BDBM50310926 CNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310927 CCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310928 CC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310929 O=C(NC1CC1)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310930 O=C(NC1CCCCC1)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310931 O=C(N1CCCC1)c1nc(NCc2cccnc2)nc2ccsc12
BDBM50310932 CC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1
BDBM50310933 C[C@@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 |r|
BDBM50310934 C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 |r|
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
BDBM50312948 O=C(Nc1ccc(-c2nnn[nH]2)c(n1)-c1ccco1)C1CC1
BDBM50312949 Clc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
BDBM50312950 Fc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1
BDBM50312951 Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
BDBM50312952 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1nccs1)C1CC1
BDBM50312953 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1
BDBM50312954 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ncco1)C1CC1
BDBM50312955 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cnco1)C1CC1
BDBM50312956 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cocn1)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
BDBM50266472 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COc1ccccn1 |r|
BDBM50266475 COC[C@H]1C[C@H](CN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C)OC |r|
BDBM50266476 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccc(C)o1 |r|
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
BDBM50273907 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1
BDBM50315548 Ic1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
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
BDBM50273905 CCCn1c2cc(-c3ccc(O)cc3)n(O)c2c(=O)n(CCC)c1=O
BDBM50273906 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
BDBM50315538 CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
BDBM50315539 CCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
BDBM50315540 CCCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
BDBM50315541 C=CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
BDBM50315542 S=c1sc2c(ncn3nc(nc23)-c2ccco2)n1-c1ccccc1
BDBM50315543 Fc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
BDBM50315544 Clc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
BDBM50315545 Clc1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
BDBM50315546 Ic1ccccc1-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 |(-4.9,-21.48,;-6.44,-21.47,;-7.21,-20.13,;-8.75,-20.12,;-9.52,-21.46,;-8.75,-22.79,;-7.22,-22.79,;-6.46,-24.12,;-4.99,-24.61,;-3.66,-23.84,;-2.32,-24.6,;-2.32,-26.15,;-1.17,-27.19,;-1.8,-28.6,;-3.34,-28.43,;-3.66,-26.92,;-4.99,-26.15,;-6.46,-26.63,;-7.37,-25.38,;-8.91,-25.37,;-.91,-29.85,;.63,-29.86,;1.09,-31.33,;-.17,-32.22,;-1.41,-31.31,)|
BDBM50315547 Ic1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-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|
BDBM50317008 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)o1
BDBM50317009 CN(C)CCN(C)c1ccc(o1)-c1nc(N)nc2-c3ccccc3C(=O)c12
BDBM50317010 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1cccs1
BDBM50315603 Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50316877 CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
BDBM50316878 CCN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316879 CCN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
BDBM50309474 CCc1cnn(c1)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
BDBM50309475 Nc1nc(N[C@H](CO)Cc2ccccc2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(cn1)-c1ccccc1 |r|
BDBM50309476 Nc1nc(N[C@H](CO)Cc2ccccc2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1ncc2ccccc12 |r|
BDBM50309477 Nc1nc(N[C@H](CO)Cc2ccccc2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1ccccc1=O |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|
BDBM50309489 CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)CCc5ccccc5)[C@@H](O)[C@H]4O)c3n2)c1 |r|
BDBM50309490 CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(CC(O)=O)cn3)nc12 |r|
BDBM50309491 CCc1cnn(c1)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(CC)cn3)nc12 |r|
BDBM50309492 CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@@H]([C@@H](O)[C@H]4O)n4nnnc4C)c3n2)c1 |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|
BDBM50309495 CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CC)nn1 |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|
BDBM50273955 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)[N+]([O-])=O
BDBM50273956 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(C)(=O)=O
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|
BDBM50309472 Nc1nc(N[C@H](CO)Cc2ccccc2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cccn1 |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|
BDBM50309483 CCCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(cn3)C(C)C)nc12 |r|
BDBM50309484 CC(C)C(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(cn3)C(C)C)nc12 |r|
BDBM50309485 CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C(C)(C)C)[C@@H](O)[C@H]4O)c3n2)c1 |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|
BDBM50309488 CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)Cc5ccccc5)[C@@H](O)[C@H]4O)c3n2)c1 |r|
BDBM50262150 Nc1nc(CN[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1 |r|
BDBM50262202 Nc1nc(cc(-c2ccccc2)c1C#N)-c1ccco1
BDBM50262203 Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccco1
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
BDBM50313072 c1coc(c1)-c1nc2[nH]ccc2cc1-c1ccncn1
BDBM50313073 O=c1[nH][nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1
BDBM50313074 c1coc(c1)-c1nc2nc[nH]c2cc1-c1ccncn1
BDBM50313075 c1coc(c1)-c1nc2[nH]ncc2cc1-c1ccncn1
BDBM50313076 Nc1n[nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1
BDBM50313077 Cn1c2cc(-c3ccncn3)c(nc2[nH]c1=O)-c1ccco1
BDBM50313078 O=c1[nH]c2cc(-c3ccncn3)c(nc2[nH]1)-c1ccco1
BDBM50275912 CN1CC[C@H](C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
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
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
BDBM50279730 COc1cc(ccc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50312957 O=C(Nc1ccc(-c2ccncc2)c(n1)-n1cccn1)C1CC1
BDBM50312958 Fc1ccccc1-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
BDBM50312959 Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
BDBM50256301 COCCOc1ccc(cc1)N1CCN(CCN(CCOC)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50266502 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 |r|
BDBM50266505 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1O
BDBM50149134 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(CCC)cc1
BDBM50149135 CCCCc1nc2ccccc2c2nc(nn12)-c1ccco1
BDBM50257025 O=c1n(nc2c(NC3CCCCC3)nc3ncccc3n12)-c1ccccc1
BDBM50257026 O=c1n(nc2c(NC3CCCC3)nc3ncccc3n12)-c1ccccc1
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|
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
BDBM50258735 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1
BDBM50258736 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2cccs2)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
BDBM50306781 Nc1c(sc2nc3C4CCN(CC4)c3cc12)C(=O)Nc1ccc(F)cc1 |TLB:5:6:9.8:12.11,THB:14:13:9.8:12.11|
BDBM50273839 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
BDBM50273840 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C)cc1
BDBM50273841 CCCn1c2cc(-c3ccc(C)cc3)n(O)c2c(=O)n(CCC)c1=O
BDBM50275803 CN1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50275745 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(O)cc(F)c1
BDBM50254348 NC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
BDBM50306767 NC(=O)c1c(Nc2ccccc2)sc2c(-c3ccccc3)c(C#N)c(N)nc12
BDBM50306768 Nc1nc2c3ccccc3oc2c(-c2ccccc2)c1C#N
BDBM50306769 Nc1ccc(Cl)c2C(=O)c3ccccc3C(=O)c12
BDBM50306770 Cn1c2ccc(N)c3C(=O)c4ccccc4-c(cc1=O)c23
BDBM50306771 COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
BDBM50306772 Nc1c(Sc2ccccc2)cc(Sc2ccccc2)c2C(=O)c3ccccc3C(=O)c12
BDBM50306773 Nc1c(Oc2ccccc2)ccc2C(=O)c3ccccc3C(=O)c12
BDBM50306774 Nc1c(\C=N\c2ccccc2)ccc2C(=O)c3ccccc3C(=O)c12
BDBM50306775 CCCCNC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N
BDBM50306776 Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc1ccccc1F
BDBM50306777 Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc1nccs1
BDBM50306778 CCCc1ccc2c(N)c(sc2n1)C(=O)c1ccccc1
BDBM50306782 Nc1c(sc2nc3CCCCc3cc12)C(=O)Nc1ccc(cc1)[N+]([O-])=O
BDBM50306783 CC(=O)c1ccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)cc1
BDBM50306784 Nc1c(sc2ncccc12)C(=O)Nc1ccccc1Cl
BDBM50306785 Nc1c(sc2ncccc12)C(=O)Nc1ccc(Cl)cc1
BDBM50306786 Cc1cccc(NC2=C(N)C(=O)c3ccccc3C2=O)c1 |c:7|
BDBM50273837 Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(C)(=O)=O
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|
BDBM50273876 CCCn1c2cc(-c3ccc(N)cc3)n(O)c2c(=O)n(CCC)c1=O
BDBM50306753 Cc1ccc2oc(=N)c3c(N)nc(cc3c2c1)-c1ccc2OCOc2c1
BDBM50306754 CN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1
BDBM50306755 Nc1ccc(cc1)-c1nc2c(N)cccc2[nH]1
BDBM50306756 CCOC(=O)c1cnc(SCC(O)=O)nc1N
BDBM50306757 CCOC(=O)c1cnc(SCCC(N)=O)nc1N
BDBM50306758 Cc1cc2oc(N)c(C=O)c(=O)c2cc1C
BDBM50306759 Cc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c(C)c1
BDBM50306760 Nc1nc(SCC(=O)NC2=C(C#N)C3CCCCC3S2)ncc1C#N |c:9|
BDBM50306761 COC(=O)c1c(N)oc2c(-c3ccc(C)cc3)c3c(C(=O)OC)c(N)oc3cc12
BDBM50306762 Nc1nc(SCCCCC(O)=O)c2[nH]cnc2n1
BDBM50306763 Cc1nc2ccccc2cc1C(=O)OCC(=O)c1c(N)n(C)c(=O)[nH]c1=O
BDBM50306764 CCOC(=O)c1cc(cc2c(N)sc(Br)c12)-c1ccc(Br)cc1
BDBM50306765 Nc1c(Nc2ccccc2C(O)=O)c2ccccc2oc1=O
BDBM50306766 COc1ccc(Cl)cc1Nc1nc(N)nc(n1)-c1oc2ccccc2c1C
BDBM50306787 NC1=C(Nc2cccc(c2)C(F)(F)F)C(=O)c2ccccc2C1=O |c:1|
BDBM50306788 CN1CCc2sc3nc(C(=O)Nc4ccc(F)cc4)c(N)cc3c2C1
BDBM50306789 Cc1ccc(Nc2nc(N)nc(CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1
BDBM50306790 CC(SCc1nc(N)nc(Nc2ccc(C)cc2)n1)C(=O)NCc1ccccc1Cl
BDBM50306791 COc1ccc(Nc2nc(N)nc(CSc3nnc(N)s3)n2)cc1
BDBM50306792 Cc1ccc(Nc2nc(N)nc(CSCCO)n2)cc1
BDBM50306793 CC(SCc1nc(N)nc(Nc2ccc(C)cc2)n1)C(=O)N1CCCCCC1
BDBM50306794 Cc1ccc(Nc2nc(N)nc(CSCC(=O)NC3CC3)n2)cc1
BDBM50306795 Cc1ccccc1NC(=O)CSCc1nc(N)nc(Nc2ccccc2C)n1
BDBM50306796 Nc1nc(CSc2nnc3ccccn23)nc(Nc2ccc(F)cc2)n1
BDBM50306797 Nc1nnc(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)s1
BDBM50211688 Cn1cc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)ccc1=O
BDBM50265409 Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)-c2ccccc2)cc1
BDBM50180208 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
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
BDBM50188572 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2ccccc2)c1
BDBM50188573 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(C)cc2)c1
BDBM50188574 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)c(F)c2)c1
BDBM50188575 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2)c1
BDBM50188576 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(OC)cc2)c1
BDBM50188578 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50188579 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)cc2)c1
BDBM50251138 Cc1cc2[nH]c3cnccc3c2c(C)c1O
BDBM50248527 COCCNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1
BDBM50248528 COc1cccc(c1)-n1c2nc(NC3CCCC3)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50248529 COc1cccc(c1)-n1c2nc(NCC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O
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
BDBM50262049 CC(C)(C)OC(=O)N1CCN(CC1)c1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50256890 CCn1c(Br)nc2c(N)ncnc12
BDBM50256891 CCCn1cnc2c(N)ncnc12
BDBM50248477 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(-c2ccccc2OC)c1=O |(5.47,-48.53,;4.7,-47.2,;3.16,-47.19,;2.39,-48.52,;.86,-48.51,;.1,-47.18,;.88,-45.86,;2.4,-45.87,;.12,-44.53,;-1.35,-44.06,;-2.68,-44.82,;-4.01,-44.05,;-5.34,-44.83,;-6.67,-44.06,;-7.45,-42.72,;-8.22,-44.05,;-4.01,-42.51,;-2.68,-41.74,;-1.35,-42.51,;.12,-42.04,;.84,-40.68,;.03,-39.38,;.74,-38.02,;2.29,-37.96,;3.11,-39.27,;2.38,-40.63,;3.2,-41.94,;4.73,-41.89,;1.03,-43.28,;2.57,-43.28,)|
BDBM50248478 CNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1
BDBM50248479 CCNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1
BDBM50248480 COc1cccc(c1)-n1c2nc(NC(C)C)ncc2n(Cc2c(F)cccc2F)c1=O
BDBM50252060 Nc1nc2n(CCc3ccc(cc3)-c3ccc(OC(F)(F)F)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50252061 Nc1nc2n(CCc3ccc(cc3)-c3cccnc3)ncc2c2nc(nn12)-c1ccco1
BDBM50252062 COc1ccc(cn1)-c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50252063 Cc1ccc(cn1)-c1ccc(CCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
BDBM50252163 CCc1ccc2cc(CCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)ccc2n1
BDBM50252164 COCCOCc1ccc2cc(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)ccc2n1
BDBM50252165 COCCOC(C)c1ccc2cc(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)ccc2n1
BDBM50252110 Nc1nc2n(CCc3ccc(cc3)-c3cnccn3)ncc2c2nc(nn12)-c1ccco1
BDBM50252111 Nc1nc2n(CCc3cccc(c3)-c3cccnc3)ncc2c2nc(nn12)-c1ccco1
BDBM50252112 Nc1nc2n(CCc3ccc(cn3)-c3cccnc3)ncc2c2nc(nn12)-c1ccco1
BDBM50252113 Cc1ccc2cc(CCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)ccc2n1
BDBM50252166 Nc1nc2n(CCc3ccc4nc(CN5CCOCC5)ccc4c3)ncc2c2nc(nn12)-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
BDBM50252009 Nc1nc2n(CCc3ccc(cc3)-c3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50252010 COc1ccc(cc1)-c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
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
BDBM50275963 CN1CC[C@@H](C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50268129 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
BDBM50139741 Clc1ccc(Cc2nnc([nH]2)C2CCCNC2)cc1Cl
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|
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|
BDBM50266018 Fc1ccccc1CN1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50266019 Fc1ccc(CNc2nc(-c3ccco3)c(s2)C(=O)c2ccccc2)cc1F
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
BDBM50139742 Cc1ccc(O)c(c1)C1=NN(CC1)C(=S)Cc1ccccc1 |t:9|
BDBM50256492 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1nccnc1C
BDBM50266051 O=C(c1sc(NCCc2cccs2)nc1-c1ccco1)c1ccccc1
BDBM50266052 O=C(c1sc(NCCCc2ccccc2)nc1-c1ccco1)c1ccccc1
BDBM50266053 CN(C)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50090711 Oc1cc(nc2ncccc12)-c1ccccc1
BDBM50179180 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50255989 COCCN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50255990 COc1ccc(CCOc2cc3nc(nn3c(N)n2)-c2ccco2)cc1
BDBM50255991 COc1ccc(CCNc2cc3nc(nn3c(N)n2)-c2ccco2)cc1
BDBM50255992 COc1ccc(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)cc1
BDBM50264831 Fc1ccc(NC(=O)Nc2ccc(Nc3nc(nc4n(Cc5ccccc5)nnc34)-c3ccccc3)cc2)cc1
BDBM50178638 Nc1nc2ccc(Cl)cc2n2nc(nc12)-c1ccccc1
BDBM50258737 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2cnccn2)cc1
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
BDBM50256955 Nc1ncnc2n(CCC=C)c(Br)nc12
BDBM50257002 Nc1ncnc2n(C3CCCC3)c(Br)nc12
BDBM50257003 Nc1ncnc2n(C3CCCCCC3)c(Br)nc12
BDBM50264830 Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)nnc23)-c2ccccc2)cc1
BDBM50256948 CC(C)Cn1cnc2c(N)ncnc12
BDBM50190439 OCCn1cc2c(n1)nc(NC(=O)Nc1cccnc1)n1nc(nc21)-c1ccco1
BDBM50190443 O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1
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|
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
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
BDBM50051653 C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
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
BDBM50256019 COc1ccc(CCSc2cc3nc(nn3c(N)n2)-c2ccco2)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
BDBM50308566 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCOCCOCCOCCOCCCCCCCCCCC=C)cc1
BDBM50199283 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)C(=O)NCCN(C)C |wU:20.25,wD:17.18,(-.46,-24.38,;1.08,-24.38,;1.85,-25.71,;3.39,-25.71,;4.16,-24.38,;3.68,-22.92,;4.93,-22.01,;6.18,-22.92,;5.7,-24.38,;6.48,-25.71,;8.02,-25.7,;5.7,-27.05,;6.47,-28.38,;8.01,-28.38,;8.78,-27.05,;4.16,-27.05,;3.39,-28.38,;4.93,-20.47,;6.26,-19.71,;6.26,-18.17,;4.93,-17.39,;3.6,-18.17,;3.6,-19.71,;4.93,-15.85,;3.59,-15.08,;6.26,-15.08,;7.59,-15.85,;8.93,-15.08,;10.26,-15.85,;11.6,-15.08,;10.26,-17.39,)|
BDBM50199284 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(O)=O
BDBM50199285 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)OC
BDBM50199286 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C=O
BDBM50199287 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)N(C)CC(=O)OC
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
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|
BDBM50262326 Nc1nc(cc(-c2cccc(OC(F)(F)F)c2)c1C#N)-c1ccccc1
BDBM50300876 Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50324967 CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
BDBM50324968 CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
BDBM50324969 CCOCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1
BDBM50324970 Cc1nc(no1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
BDBM50324971 CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1
BDBM50324972 Cc1nc(no1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
BDBM50324973 CC(C)CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1
BDBM50265985 CC(=O)NCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50265986 CC(=O)N1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50255184 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccc(C)o1 |r|
BDBM50255185 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1nccs1 |r|
BDBM50255186 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccccn1 |r|
BDBM50255187 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccccn1 |r|
BDBM50255188 COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(n1)-n1nc(C)cc1C |r|
BDBM50255189 COC[C@H]1CCCN1c1cc(N)nc(n1)-n1nc(C)cc1C |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|
BDBM50299696 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccc(cc1)C(C)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc2ncnc(NC3CCCC3)c2[nH]1 |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
BDBM50322844 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cn[nH]c1
BDBM50322845 CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
BDBM50322846 CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1
BDBM50322848 Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1
BDBM50294510 COc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
BDBM50294511 COc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1
BDBM50294512 Nc1nc(NC(=O)c2ccccc2)c(c(n1)-c1ccco1)[N+]([O-])=O
BDBM50294513 Nc1nc(NC(=O)c2ccncc2)c(c(n1)-c1ccco1)[N+]([O-])=O
BDBM50294514 Nc1nc(NC(=O)c2ccccc2F)c(c(n1)-c1ccco1)[N+]([O-])=O
BDBM50294515 COc1ccccc1C(=O)Nc1nc(N)nc(-c2ccco2)c1[N+]([O-])=O
BDBM50294516 Nc1nc(NC(=O)c2ccccc2OC(F)(F)F)c(c(n1)-c1ccco1)[N+]([O-])=O
BDBM50294517 Nc1nc(NC(=O)c2cccnc2)c(c(n1)-c1ccco1)[N+]([O-])=O
BDBM50294518 COc1ccccc1CC(=O)Nc1nc(N)nc(-c2ccco2)c1[N+]([O-])=O
BDBM50294519 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(F)cc1
BDBM50294520 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccc(Cl)cc1
BDBM50294521 COc1ccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)cc1
BDBM50294522 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccncc1
BDBM50294523 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccco1
BDBM50294524 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(CO)n1
BDBM50298500 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
BDBM50298501 CCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
BDBM50139715 COc1cccc(O)c1C=NNC(=S)Cc1ccccc1 |w:10.11|
BDBM50139716 COc1cccc(c1)-c1nnc(CC2CCCCC2)[nH]1
BDBM50139717 S=C(Cc1ccccc1)NN=Cc1cccnc1 |w:11.12|
BDBM50139718 COc1cccc(c1)-c1nnc(Cc2ccc3ccccc3c2)[nH]1
BDBM50139719 COc1cccc(c1)-c1nnc(Cc2cccc(Br)c2)[nH]1
BDBM50139720 COc1cccc(C=NNC(=S)Cc2ccccc2)c1O |w:8.8|
BDBM50189812 COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
BDBM50199273 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(O)=O
BDBM50199275 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)N1CCC(CC1)C(O)=O
BDBM50199277 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](COCc2ccccc2)CC1 |wU:20.22,wD:17.18,(10.39,-5.66,;11.93,-5.66,;12.7,-6.99,;14.24,-6.99,;15.01,-5.66,;14.53,-4.2,;15.78,-3.29,;17.03,-4.2,;16.55,-5.66,;17.33,-6.99,;18.87,-6.98,;16.55,-8.33,;17.32,-9.66,;18.86,-9.66,;19.63,-8.32,;15.01,-8.33,;14.24,-9.66,;15.78,-1.75,;17.11,-.99,;17.11,.55,;15.78,1.33,;15.78,2.87,;17.11,3.64,;18.44,2.87,;19.78,3.64,;21.11,2.87,;22.44,3.64,;22.44,5.18,;21.1,5.95,;19.77,5.18,;14.45,.55,;14.45,-.99,)|
BDBM50199278 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CO)CC1 |wU:20.22,wD:17.18,(1.8,-5.44,;3.34,-5.44,;4.11,-6.77,;5.65,-6.77,;6.41,-5.44,;5.94,-3.98,;7.18,-3.07,;8.43,-3.98,;7.96,-5.44,;8.73,-6.77,;10.27,-6.77,;7.96,-8.11,;8.73,-9.44,;10.27,-9.44,;11.04,-8.11,;6.42,-8.11,;5.65,-9.44,;7.19,-1.53,;8.51,-.77,;8.51,.77,;7.19,1.55,;7.18,3.09,;8.52,3.86,;5.86,.77,;5.86,-.77,)|
BDBM50190451 OCCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
BDBM50139721 COc1cc(OC)c(O)c(C=NNC(=S)Cc2ccccc2)c1 |w:11.11|
BDBM50139722 COc1ccc(C=NNC(=S)Cc2ccccc2)c(O)c1 |w:7.7|
BDBM50139723 COc1cccc(c1)-c1nnc(Cc2cccc(F)c2F)[nH]1
BDBM50139724 C(N1CCCC1)c1cccc(c1)-c1nnc([nH]1)-c1ccc2OCCOc2c1
BDBM50139725 Clc1ccc(Cc2nnc([nH]2)-c2ccc3OCOc3c2)cc1Cl
BDBM50189807 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O
BDBM50268164 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1
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
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|
BDBM50262435 Nc1nc(cc(-c2cccs2)c1C#N)-c1cccs1
BDBM50262439 Nc1nc(cc(-c2ccco2)c1C#N)-c1cccs1
BDBM50262440 Nc1nc(cc(-c2cccs2)c1C#N)-c1ccccc1
BDBM50262441 Nc1nc(cc(-c2ccco2)c1C#N)-c1ccco1
BDBM50178629 CCOC(=O)c1nc2c(N)nc3ccc(Cl)cc3n2n1
BDBM50265981 CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50266055 CN(Cc1ccco1)c1nc(-c2ccco2)c(s1)C(=O)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|
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|
BDBM44650 NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1
BDBM50324974 Cc1nc(no1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50324975 Cc1nc(no1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1
BDBM50324976 O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)c1ccco1
BDBM50324977 O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)C1CC1
BDBM50324978 CC(C)CC(=O)Nc1nc(c(s1)-c1ncon1)-c1ccccc1
BDBM50324979 O=C(Nc1nc(c(s1)-c1ncon1)-c1ccccc1)c1ccccc1
BDBM50324980 O=C(Cc1ccccc1)Nc1nc(c(s1)-c1ncon1)-c1ccccc1
BDBM50324981 Cc1noc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
BDBM50324982 CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1
BDBM50324983 Cc1noc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
BDBM50324984 CC(C)CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1
BDBM50324985 Cc1noc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50324986 Cc1noc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1
BDBM50324987 CCn1nnc(n1)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
BDBM50324988 CCn1nnc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1
BDBM50324989 CCn1nnc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50324990 CCn1nnc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1
BDBM50324991 CCn1nnc(n1)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1
BDBM50324992 O=C(Nc1nc(c(s1)C#N)-c1ccccc1)c1ccco1
BDBM57851 Cc1cc(C)nc(NC(N)=NCCc2c[nH]c3ccccc23)n1 |w:10.10|
BDBM52091 CC(C)c1cc(Nc2csc(=O)[nH]2)c(C)cc1O
BDBM51080 CCOC(=O)c1[nH]cnc1N=Nc1c(O)ccc2ccccc12 |w:10.10|
BDBM50316202 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN1CCCCC1 |r|
BDBM49037 Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1
BDBM50321537 COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
BDBM50321538 CCN(C(C)=O)c1ccc(Cl)c2nc(NC(=O)c3ccc(F)cc3)sc12
BDBM50321539 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)S(C)(=O)=O)sc12
BDBM50321540 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C#N)sc12
BDBM50321541 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)OC)sc12
BDBM50321542 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12
BDBM50321543 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12
BDBM50139714 COc1cccc(c1)-c1nnc(CCc2ccc(Cl)c(Cl)c2)[nH]1
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|
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|
BDBM50085675 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC(CC)CC)nc12
BDBM50257055 CC(O)Cn1cnc2c(N)ncnc12
BDBM50275799 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(F)cc(F)c1
BDBM50275800 COc1c(F)cccc1-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50275801 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(O)c1
BDBM50275802 CN(C)CCOc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50248379 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2)c1=O
BDBM50248380 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2F)c1=O
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|
BDBM50199279 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1 |wU:20.25,wD:17.18,(-9.79,-7.52,;-8.25,-7.52,;-7.48,-8.85,;-5.94,-8.85,;-5.18,-7.52,;-5.65,-6.05,;-4.4,-5.15,;-3.16,-6.05,;-3.63,-7.52,;-2.86,-8.85,;-1.32,-8.84,;-3.63,-10.18,;-2.86,-11.52,;-1.32,-11.52,;-.55,-10.18,;-5.17,-10.19,;-5.94,-11.52,;-4.4,-3.61,;-3.07,-2.85,;-3.07,-1.31,;-4.4,-.53,;-5.73,-1.31,;-5.73,-2.85,;-4.41,1.01,;-3.07,1.79,;-3.08,3.33,;-1.74,1.02,;-.41,1.79,;.93,1.03,;.92,-.52,;2.26,-1.28,;3.59,-.51,;3.58,1.04,;2.25,1.8,)|
BDBM50199280 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(=O)OC
BDBM50258706 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccccc2)cc1
BDBM50258707 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)N2CCc3ccccc3C2)cc1
BDBM50258708 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)NCc2ccccc2)cc1
BDBM50258709 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
BDBM50275693 COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50275694 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(C)c1
BDBM50139732 Oc1ccccc1-c1nnc([nH]1)-c1ccccc1
BDBM50139733 COc1cccc(c1)-c1nnc(Cc2ccccc2Br)[nH]1
BDBM50139734 S=C(Cc1ccccc1)NN=Cc1cnc2ccccc2c1 |w:10.10|
BDBM50139735 Clc1ccc(Cc2nnc([nH]2)-c2cnccn2)cc1Cl
BDBM50139736 S=C(Cc1ccccc1)NN=Cc1ccccn1 |w:11.12|
BDBM50268163 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
BDBM50239026 Nc1nc(-c2ccco2)c2c[nH]nc2n1
BDBM50239028 Nc1nc(-c2ccco2)c2cc[nH]c2n1
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
BDBM50139737 COc1ccc(O)c(C=NNC(=S)Cc2ccccc2)c1 |w:9.9|
BDBM50139738 COc1cccc(c1)-c1nnc(Cc2ccc(F)c(F)c2)[nH]1
BDBM50279731 CCN(CC)CCOc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50279732 COc1cc(ccc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50140946 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)N2CCN(CC2)c2ccccc2)nn1C
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|
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
BDBM50139711 COc1cccc(c1)-c1nnc([nH]1)-c1ccc(Cl)c(Cl)c1
BDBM50139712 Cn1nc(nc1-c1cccc(CN2CC=CC2)c1)-c1ccc(cc1)N=[N+]=[N-] |c:15|
BDBM50139713 COc1cccc(c1)-c1nnc(Cc2ccc(C)c(C)c2)[nH]1
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
BDBM50085660 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc(Cl)c3)nc(NC3CCCC3)nc12
BDBM50085661 Nc1nc(N[C@@H]2CCC[C@H]2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50085662 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@@H]3CCC[C@H]3O)nc12
BDBM50085663 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3O)nc(Cl)nc12
BDBM50085664 Nc1nc(N[C@H]2CCC[C@@H]2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50085665 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12
BDBM50085666 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12
BDBM50085668 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@@H]3CCC[C@H]3O)nc12
BDBM50085669 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(NC3CCCC3)nc12
BDBM50085670 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC3CCCC3)nc12
BDBM50085671 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc12
BDBM50085672 Nc1nc(NC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50085673 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12
BDBM50085674 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:7.12,5.4,35.37,wD:8.8,10.11,38.41,(-2.14,-10.42,;-1.05,-9.34,;-1.45,-7.85,;-.35,-6.77,;-.7,-5.26,;1.12,-7.24,;2.36,-6.34,;3.6,-7.24,;3.12,-8.72,;4.04,-9.95,;1.59,-8.72,;.69,-9.95,;3.38,-4.67,;4.3,-3.42,;3.38,-2.18,;1.92,-2.66,;.59,-1.89,;.57,-.35,;1.92,.42,;1.89,1.96,;3.23,2.73,;4.55,1.96,;5.89,2.73,;5.89,4.28,;4.53,5.03,;3.21,4.26,;.57,2.71,;.57,4.26,;-.77,5.01,;-2.1,4.24,;-2.09,2.7,;-.77,1.93,;-.75,-2.66,;-.75,-4.22,;-2.09,-4.98,;-2.87,-3.64,;-4.41,-3.66,;-5.2,-2.31,;-4.42,-.95,;-5.2,.37,;-2.87,-.95,;-2.09,-2.29,;.59,-4.98,;1.92,-4.2,)|
BDBM50085658 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50312971 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cccnc1)C1CC1
BDBM50312972 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1
BDBM50312960 CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1cccc(F)c1
BDBM50312961 Fc1ccc(cc1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1
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
BDBM50312970 O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1
BDBM50273800 Cc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50275742 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(c1)C(F)(F)F
BDBM50275743 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(C)cc(C)c1
BDBM50275744 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(C)ccc1C
BDBM50199281 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@]12CC[C@](CO)(CC1)CC2
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
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
BDBM50273802 Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccccc1
BDBM50273804 Cc1ccc(cc1)-c1[nH]c2c(c1O)n(C)c(=O)n(C)c2=O
BDBM50273874 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C)cc1
BDBM50273875 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
BDBM50273877 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
BDBM50273878 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
BDBM50257050 Nc1ncnc2ncn(CCO)c12
BDBM50257051 Nc1ncnc2n(CCO)c(Br)nc12
BDBM50149117 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1cccc(Cl)c1
BDBM50149118 CCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
BDBM50149119 CCCCc1nc2cc(C)ccc2c2nc(nn12)-c1ccccc1
BDBM50149120 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1Cl
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
BDBM50144948 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 |r|
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
BDBM50248381 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2Cl)c1=O
BDBM50248434 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2OC)c1=O
BDBM50248435 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(C(C)c2ccccc2)c1=O
BDBM50248436 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(C)c1=O
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
BDBM50139726 Oc1ccc(OC(F)(F)F)cc1C=NNC(=S)Cc1ccccc1 |w:13.14|
BDBM50139727 COc1cccc(c1)-c1nnc(Cc2ccc(Cl)c(Cl)c2)[nH]1
BDBM50139728 Oc1ccc(cc1[CH+][N-][N-]C(=[SH+])Cc1ccccc1)[N+]([O-])=O
BDBM50139729 S=C(Cc1ccccc1)NN=Cc1ccccc1 |w:11.12|
BDBM50139730 COc1cccc(c1)-c1nnc(CN2CCCCC2)[nH]1
BDBM50139731 COc1cccc(-c2nnc(Cc3ccc(Cl)c(Cl)c3)[nH]2)c1OC
BDBM50180215 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
BDBM50306779 CN1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3cc2C1
BDBM50306780 CCc1nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2cc1C
BDBM50248264 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2)c1=O
BDBM50248265 COc1cc(OC)cc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O
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
BDBM50180226 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50306745 Nc1c(oc2ccc(Br)cc12)C(=O)c1ccccc1
BDBM50306746 CC(=O)Oc1cccc(c1)-c1nc(C(N)=O)c(N)o1
BDBM50306747 Cc1ccc(cc1)N1C(=O)c2cccc(N)c2C1=O
BDBM50306748 COCCOC(=O)c1sc(N)c(C#N)c1C
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
BDBM50151201 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccc(Cl)c2)CC1
BDBM50091122 Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
BDBM50091123 C1CCC(CC1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
BDBM50091124 Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
BDBM50091126 C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)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
BDBM50306749 CC(=O)c1snc(Nc2cc(Cl)ccc2F)c1N
BDBM50306750 CC(Sc1nc(N)c(cc1C#N)C(=O)Nc1ccccc1)C(=O)NCc1ccccc1Cl
BDBM50306751 COc1ccc(cc1)-n1ccnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O
BDBM50306752 Nc1ncnc2sc3CN(CCc3c12)C(=O)CN1CSCC1=O
BDBM50080287 Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
BDBM50176840 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
BDBM50276867 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccoc1
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50256416 COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccccc2)CC1
BDBM50256417 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cccc(c1)C#N
BDBM50266084 O=C(c1sc(nc1-c1ccco1)N(Cc1ccco1)Cc1ccccc1)c1ccccc1
BDBM50266085 CN(CCc1cccs1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
BDBM50327333 COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc3nccnc3c2)c(c1)C(O)=O
BDBM50327334 Cc1nn(c(Nc2ccc(Cl)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C
BDBM50327335 Cc1nn(c(Nc2ccc(C)cc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C
BDBM50327336 Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C
BDBM50327337 COc1ccc(Nc2c(c(C)nn2-c2ccccc2)-c2ccc3nccnc3c2)c(c1)C(O)=O
BDBM50327338 COc1ccc(Nc2c(c(C)nn2C2CCCCC2)-c2ccc3nccnc3c2)c(c1)C(O)=O
BDBM50327339 CCc1ccccc1-n1nc(C)c(c1Nc1ccc(OC)cc1C(O)=O)-c1ccc2nccnc2c1
BDBM50327340 Cc1ccccc1-n1nc(c(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1)C(F)(F)F
BDBM50327341 CCc1nn(c(Nc2ccccc2C(O)=O)c1-c1ccc2nccnc2c1)-c1ccccc1C
BDBM50327342 Cc1ccccc1-n1ncc(c1Nc1ccccc1C(O)=O)-c1ccc2nccnc2c1
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
BDBM50336988 O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(n1)-c1ccco1
BDBM50336989 Cc1ccc(o1)-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1
BDBM50336974 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CC1
BDBM50336975 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1cccnc1)C1CC1
BDBM50336976 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1
BDBM50336978 Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1
BDBM50336979 Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1
BDBM50336990 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1
BDBM50336991 Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1
BDBM50336992 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ncco1)C1CC1
BDBM50336993 O=C(Nc1cnc(-c2ccncc2)c(n1)-c1cnco1)C1CC1
BDBM50336994 O=C(Nc1cnc(-c2ccncn2)c(n1)-c1ccco1)C1CC1
BDBM50336996 Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1F
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
BDBM50327460 CCOc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50327461 Nc1nc2n(CCCc3ccc(OCCF)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50327462 CCCOc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50327463 CC(C)Oc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50327464 CCC(C)Oc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50327465 Nc1nc2n(CCCc3ccc(OCC=C)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50327323 COc1ccc(Nc2c(c(C)nn2-c2ccccc2Cl)-c2ccc3nccnc3c2)c(c1)C(O)=O
BDBM50327466 Nc1nc2n(CCCc3ccc(OCCC=C)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50327467 Nc1nc2n(CCCc3ccc(O\C=C\c4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50327468 Nc1nc2n(CCCc3ccc(OCCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50327469 Nc1nc2n(CCCc3ccc(OCCO)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50327470 CS(=O)(=O)OCCOc1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-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|
BDBM69473 CCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50336713 Cc1cc(cc(Cl)c1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1
BDBM50336714 Cc1cc(ccc1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1
BDBM50336715 CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)Nc1nccs1
BDBM50336716 CCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
BDBM50336717 COc1cc(ccc1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1
BDBM50336718 CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
BDBM50336719 COc1c(F)c(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
BDBM50336720 CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1ncc(Cl)s1
BDBM50336721 Cc1nc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)sc1C
BDBM50336722 Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
BDBM50336723 CC(C)(C)CC(=O)Nc1ccc(cc1Cl)C(=O)Nc1nccs1
BDBM50336724 Cc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
BDBM50336725 CCCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
BDBM50336640 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
BDBM50336726 CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)c(Cl)c1
BDBM50336727 CC(C)(C)CNC(=O)c1ccc(cc1)C(=O)Nc1nccs1
BDBM50336728 CC(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
BDBM50336729 CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
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|
BDBM50336709 COc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
BDBM50336710 Cc1cnc(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)s1
BDBM50336711 CCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
BDBM50336712 CC(C)(C)CC(=O)Nc1ccc(cc1F)C(=O)Nc1nccs1
BDBM82020 Cn1c(=O)[nH]c2nc[nH]c2c1=O
BDBM82021 CCn1c2nc[nH]c2c(=O)n(CC)c1=O
BDBM82023 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM82025 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
BDBM82032 CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
BDBM82033 CCn1c(=O)n(C)c2ncn(C)c2c1=O
BDBM82038 O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1
BDBM82039 CN(C)CCCNS(=O)(=O)c1ccc(Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
BDBM82041 Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(cc1)N(=O)=O
BDBM82042 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
BDBM82043 CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12
BDBM82046 CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
BDBM82047 Cn1c2[nH]c(nc2c(=O)n(C)c1=O)C1CCOC1
BDBM82053 Cn1c2[nH]cnc2c(=O)n(C)c1=O
BDBM50329345 CCN(C)C(=O)c1cnc2n(CCCOC)c(NC(=O)c3cccc(c3)C#N)nc2c1
BDBM50329346 CCN(CC)C(=O)c1cnc2n(CCCOC)c(NC(=O)c3cccc(c3)C#N)nc2c1
BDBM50329347 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N(C)C(C)C
BDBM50329348 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCCC[C@H]1C |r|
BDBM50329349 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCCC[C@@H]1C |r|
BDBM50329350 Cn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCCCC1
BDBM50329351 CCCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCCCC1
BDBM50329352 OCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCCCC1
BDBM50331919 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1
BDBM50331920 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1
BDBM50331921 CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O
BDBM50331922 COCCCNC(=O)COc1ccc2n(C)c(=O)c(c(CCc3ccccc3)c2c1)-c1ccc(F)cc1F |(10.42,.74,;11.75,-.03,;13.09,.74,;14.42,-.03,;15.75,.74,;17.09,-.03,;18.42,.74,;18.42,2.28,;19.75,-.03,;21.09,.74,;22.42,-.03,;22.42,-1.58,;23.75,-2.35,;25.08,-1.58,;26.42,-2.35,;26.42,-3.89,;27.77,-1.58,;29.1,-2.36,;27.77,-.03,;26.43,.76,;26.43,2.3,;25.09,3.07,;25.09,4.61,;26.42,5.37,;26.43,6.91,;25.09,7.69,;23.75,6.9,;23.76,5.36,;25.08,-.02,;23.75,.74,;29.1,.73,;30.44,-.04,;31.77,.72,;31.78,2.26,;33.11,3.03,;30.43,3.04,;29.11,2.27,;27.77,3.04,)|
BDBM50331923 COCCCNC(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)-c1ccc(F)cc1F |(-11.59,-10.43,;-10.25,-11.2,;-8.92,-10.43,;-7.58,-11.2,;-6.25,-10.43,;-4.92,-11.2,;-3.58,-10.43,;-3.58,-8.89,;-2.25,-11.2,;-.92,-10.43,;.42,-11.2,;.42,-12.74,;1.75,-13.52,;3.08,-12.75,;4.42,-13.52,;5.77,-12.75,;7.1,-13.53,;5.77,-11.2,;4.42,-10.41,;4.42,-8.87,;3.09,-8.1,;3.09,-6.56,;4.42,-5.8,;4.42,-4.26,;3.09,-3.49,;1.75,-4.27,;1.76,-5.8,;3.08,-11.19,;1.75,-10.43,;7.1,-10.44,;8.43,-11.21,;9.77,-10.45,;9.77,-8.9,;11.11,-8.14,;8.43,-8.13,;7.1,-8.9,;5.77,-8.13,)|
BDBM50331925 COCCCNC(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O
BDBM50331926 Cn1c2ccc(OCC(=O)NCc3ccccc3)cc2c(CCc2ccccc2)c(c1=O)S(C)(=O)=O
BDBM50331927 Cn1c2ccc(OCC(=O)NCc3ccccc3)cc2c(CCc2ccccc2)c(-c2ccc(F)cc2F)c1=O |(4.58,-37.42,;4.58,-35.88,;3.24,-35.1,;1.91,-35.87,;.58,-35.1,;.58,-33.55,;-.75,-32.78,;-2.09,-33.55,;-3.42,-32.78,;-3.42,-31.24,;-4.75,-33.55,;-6.09,-32.78,;-7.42,-33.56,;-8.75,-32.78,;-10.09,-33.55,;-10.09,-35.09,;-8.74,-35.86,;-7.42,-35.09,;1.91,-32.78,;3.24,-33.55,;4.59,-32.77,;4.59,-31.23,;3.25,-30.46,;3.25,-28.92,;4.58,-28.15,;4.59,-26.62,;3.25,-25.84,;1.91,-26.62,;1.92,-28.16,;5.93,-33.55,;7.26,-32.79,;8.6,-33.56,;9.93,-32.8,;9.94,-31.26,;11.27,-30.49,;8.59,-30.48,;7.27,-31.25,;5.93,-30.49,;5.93,-35.11,;7.26,-35.88,)|
BDBM50331928 COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O
BDBM50331929 CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1
BDBM50329353 O=C(Nc1nc2cc(cnc2n1C1CCOCC1)C(=O)N1CCCCC1)c1cccc(c1)C#N
BDBM50329354 CC(=O)NCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCCCC1
BDBM50329355 COc1cccc(c1)-n1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCCCC1
BDBM50329356 COc1ccc(Cn2c(NC(=O)c3cccc(c3)C#N)nc3cc(cnc23)C(=O)N2CCCCC2)cc1
BDBM50329357 Fc1ccc(Cn2c(NC(=O)c3cccc(c3)C#N)nc3cc(cnc23)C(=O)N2CCCCC2)cc1
BDBM50329358 O=C(Nc1nc2cc(cnc2n1Cc1cccnc1)C(=O)N1CCCCC1)c1cccc(c1)C#N
BDBM50329359 O=C(Nc1nc2cc(cnc2n1Cc1ccncc1)C(=O)N1CCCCC1)c1cccc(c1)C#N
BDBM50329360 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCOCC1
BDBM50329361 CCOCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCOCC1
BDBM50329362 CCOCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCOCC1
BDBM50329363 CC(C)OCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCOCC1
BDBM50329364 CCN(CC)C(=O)c1ccc2nc(NC(=O)c3cccc(c3)C#N)n(CCCOC)c2c1
BDBM50329365 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2ccc(cc12)C(=O)N1CCCCC1
BDBM50329366 CCN(C)C(=O)c1ccc2nc(NC(=O)c3cccc(c3)C#N)n(CCCOC)c2n1
BDBM50329367 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2ccc(nc12)C(=O)N(C)C(C)C
BDBM81818 NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
BDBM50331930 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccccn3)c(CCc3ccccc3)c2c1)c1ccccc1
BDBM50331931 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3cccnc3)c(CCc3ccccc3)c2c1)c1ccccc1
BDBM50331932 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccncc3)c(CCc3ccccc3)c2c1)c1ccccc1
BDBM50331933 Cc1cc(on1)-c1c(CCc2ccccc2)c2cc(OCC(=O)NC(C)(C)c3ccccc3)ccc2[nH]c1=O
BDBM50331934 CS(=O)(=O)c1c(-c2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O
BDBM50331935 CC(C)CCc1c(-c2nccs2)c(=O)[nH]c2ccc(OCC(=O)NC(C)(C)c3ccccc3)cc12
BDBM50331936 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCC(F)(F)F)c2c1)c1ccccc1
BDBM81925 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
BDBM81971 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1
BDBM82009 O=c1[nH]c2nc[nH]c2c(=O)[nH]1
BDBM82010 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
BDBM82011 CC(O)Cn1c(=O)n(C)c2ncn(C)c2c1=O
BDBM82012 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
BDBM82013 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
BDBM82014 CCN(CC)CCn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM82015 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
BDBM82016 Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O
BDBM82017 CC(=O)Oc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM82018 O=c1[nH]cnc2nc[nH]c12
BDBM82066 OC[C@@H]1CC[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM82067 OC[C@H]1CC[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM50341186 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)sc12
BDBM50341187 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)c3cccc(c3)C(F)(F)F)sc12
BDBM50341188 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(CC3)c3cccc(c3)C(F)(F)F)sc12
BDBM50341189 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(10.57,-46.93,;10.57,-45.39,;11.9,-44.62,;13.23,-45.39,;14.57,-44.62,;13.24,-46.93,;11.9,-43.08,;10.57,-42.31,;10.57,-40.76,;11.9,-39.99,;11.89,-38.45,;13.22,-37.68,;13.23,-40.76,;14.71,-40.28,;15.62,-41.53,;17.16,-41.53,;17.93,-40.2,;17.16,-38.86,;19.46,-40.19,;20.23,-38.85,;21.77,-38.86,;22.54,-40.2,;21.76,-41.53,;20.23,-41.52,;24.08,-40.2,;24.85,-41.54,;23.5,-42.3,;24.83,-43.07,;26.38,-41.53,;27.14,-42.85,;28.67,-42.85,;29.43,-41.52,;28.65,-40.19,;27.12,-40.21,;29.41,-38.86,;30.95,-38.84,;28.63,-37.53,;30.17,-37.51,;14.71,-42.78,;13.23,-42.31,)|
BDBM50341190 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(-11.53,-48.22,;-11.53,-46.68,;-10.19,-45.91,;-8.85,-46.68,;-7.52,-45.91,;-8.85,-48.22,;-10.19,-44.37,;-11.53,-43.6,;-11.53,-42.05,;-10.19,-41.28,;-10.2,-39.74,;-8.87,-38.97,;-8.86,-42.05,;-7.38,-41.57,;-6.47,-42.82,;-4.93,-42.82,;-4.16,-41.49,;-4.93,-40.15,;-2.63,-41.48,;-1.86,-40.14,;-.32,-40.15,;.45,-41.49,;-.32,-42.82,;-1.86,-42.82,;1.99,-41.49,;2.76,-42.83,;1.99,-44.16,;4.29,-42.82,;5.05,-44.15,;6.58,-44.14,;7.34,-42.81,;6.56,-41.49,;5.03,-41.5,;7.32,-40.15,;8.86,-40.14,;6.54,-38.82,;8.08,-38.8,;-7.38,-44.08,;-8.86,-43.6,)|
BDBM50341191 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 |r|
BDBM50341192 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](C3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 |r|
BDBM50341193 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(c4)C(F)(F)F)CC3)sc12
BDBM50330766 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 |r|
BDBM50330987 Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
BDBM50341194 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12 |r|
BDBM50341195 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,21.24,(11.5,-4.73,;11.5,-3.19,;12.83,-2.42,;14.17,-3.19,;15.5,-2.41,;14.17,-4.73,;12.83,-.88,;11.5,-.11,;11.5,1.44,;12.83,2.21,;12.82,3.75,;14.16,4.52,;14.16,1.45,;15.64,1.93,;16.55,.67,;18.09,.67,;18.86,2.01,;18.09,3.34,;20.4,2.02,;21.17,.68,;22.7,.67,;23.48,2.01,;22.71,3.34,;21.16,3.35,;25.02,2,;25.78,.66,;24.44,-.09,;26.17,-.82,;27.31,.67,;28.07,-.65,;29.6,-.65,;30.36,.68,;29.58,2.01,;28.06,2,;30.34,3.35,;31.88,3.36,;29.56,4.67,;31.1,4.69,;15.64,-.58,;14.17,-.1,)|
BDBM50341196 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,wD:21.24,(30.23,-47.93,;30.23,-46.39,;31.56,-45.62,;32.9,-46.39,;34.23,-45.62,;32.9,-47.93,;31.56,-44.08,;30.23,-43.31,;30.23,-41.77,;31.56,-41,;31.55,-39.46,;32.89,-38.68,;32.89,-41.76,;34.37,-41.28,;35.28,-42.53,;36.82,-42.53,;37.59,-41.2,;36.82,-39.87,;39.13,-41.19,;39.89,-39.86,;41.44,-39.86,;42.2,-41.2,;41.43,-42.53,;39.89,-42.53,;43.74,-41.21,;44.51,-42.54,;46.04,-42.54,;46.8,-43.86,;48.33,-43.85,;49.09,-42.52,;48.31,-41.2,;46.79,-41.21,;49.07,-39.86,;50.61,-39.85,;48.29,-38.53,;49.83,-38.52,;34.37,-43.79,;32.89,-43.31,)|
BDBM50341197 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](C3)NCc3cccc(c3)C(F)(F)F)sc12 |r|
BDBM50341198 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
BDBM50341199 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)C(F)(F)F)sc12 |r,wU:18.17,21.24,(-10.24,-4.6,;-10.24,-3.06,;-8.91,-2.29,;-7.57,-3.06,;-6.24,-2.29,;-7.57,-4.6,;-8.91,-.75,;-10.24,.02,;-10.24,1.56,;-8.91,2.33,;-8.91,3.87,;-7.58,4.65,;-7.57,1.57,;-6.1,2.05,;-5.19,.8,;-3.65,.8,;-2.88,2.13,;-3.65,3.46,;-1.34,2.14,;-.57,.8,;.96,.8,;1.74,2.13,;.97,3.47,;-.58,3.47,;3.28,2.12,;4.04,.79,;3.27,-.55,;5.57,.79,;6.33,-.53,;7.86,-.52,;8.62,.81,;7.84,2.13,;6.32,2.12,;8.61,3.47,;10.15,3.48,;7.83,4.8,;9.37,4.81,;-6.1,-.46,;-7.57,.02,)|
BDBM50341200 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CCN(C3)C(=O)c3cccc(c3)C(F)(F)F)sc12 |r|
BDBM50341201 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12 |r|
BDBM50341202 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
BDBM50330441 Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM50331903 CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)Nc3ccccc3)ccc2[nH]c1=O
BDBM50331905 CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2[nH]c(=O)c(c(CCc3ccccc3)c2c1)S(C)(=O)=O
BDBM50331906 Clc1ccc(CNC(=O)COc2ccc3[nH]c(=O)c(C#N)c(CCc4ccccc4)c3c2)cc1Cl
BDBM50331907 O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1
BDBM50331908 O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1
BDBM50331909 O=C(CCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1
BDBM50331910 O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1
BDBM50331911 C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r|
BDBM50331912 C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r|
BDBM50331913 CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1
BDBM50331914 O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(CC1)c1ccccc1
BDBM50331916 CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r|
BDBM50331917 OC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r|
BDBM50331918 Cc1c(c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12)S(C)(=O)=O
BDBM50329331 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(ccc12)C(=O)NCc1cccc(OC)c1
BDBM50329332 COCCCn1c(N)nc2cc(ccc12)C(=O)NCc1cccc(OC)c1
BDBM50329333 COCCCn1c(NC(=O)c2cccc(F)c2)nc2cc(ccc12)C(=O)NCc1cccc(OC)c1
BDBM50329334 COCCCn1c(NC(=O)c2cccc(Cl)c2)nc2cc(ccc12)C(=O)NCc1cccc(OC)c1
BDBM50329335 COCCCn1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1cccc(OC)c1
BDBM50329336 COCCCn1c(NC(=O)c2cccc(OC)c2)nc2cc(ccc12)C(=O)NCc1cccc(OC)c1
BDBM50329337 COCCCn1c(NC(=O)c2ccccc2Cl)nc2cc(ccc12)C(=O)NCc1cccc(OC)c1
BDBM50329338 COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)C(=O)NCc1cccc(OC)c1
BDBM50329339 CCCCNC(=O)c1ccc2n(CCCOC)c(NC(=O)c3cccc(c3)C#N)nc2c1
BDBM50329340 CCCCNC(=O)c1cnc2n(CCCOC)c(NC(=O)c3cccc(c3)C#N)nc2c1
BDBM50329341 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(ccc12)C(=O)N1CCCCC1
BDBM50329342 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N1CCCCC1
BDBM50329343 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(N)=O
BDBM50329344 COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(cnc12)C(=O)N(C)C
BDBM50340030 Nc1nc2n(CCN3CCOCC3)ncc2c2nn(CC3CC3)c(=O)n12
BDBM50340031 CN(C)CCn1ncc2c1nc(N)n1c2nn(CC2CC2)c1=O
BDBM50340032 Nc1nc2n(C=C)ncc2c2nn(CC3CC3)c(=O)n12
BDBM50340033 Nc1nc2n(CCN3CCN(CC3)c3cnccn3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12
BDBM50340034 Nc1nc2n(CCN3CCN(CC3)c3cnccn3)ncc2c2nn(Cc3ccccc3)c(=O)n12
BDBM50340035 COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3c4nn(Cc4cccc(Cl)c4)c3=O)CC2)c(F)c1
BDBM50340036 COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3c4nn(Cc4ccccc4)c3=O)CC2)c(F)c1
BDBM50340037 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12
BDBM50340038 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)ncc2c2nn(Cc3ccccc3)c(=O)n12
BDBM50340039 CC(C)(C)OC(=O)N1CCN(CCn2ncc3c2nc(N)n2c3nn(Cc3cccc(Cl)c3)c2=O)CC1
BDBM50340040 CC(C)(C)OC(=O)N1CCN(CCn2ncc3c2nc(N)n2c3nn(Cc3ccccc3)c2=O)CC1
BDBM50340041 CS(=O)(=O)N1CCN(CCn2ncc3c4nn(Cc5cccc(Cl)c5)c(=O)n4c(N)nc23)CC1
BDBM50340042 CS(=O)(=O)N1CCN(CCn2ncc3c4nn(Cc5ccccc5)c(=O)n4c(N)nc23)CC1
BDBM50340043 Nc1nc2n(CCN3CCC(CC3)N3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12
BDBM50340044 Nc1nc2n(CCN3CCC(CC3)N3CCOCC3)ncc2c2nn(Cc3ccccc3)c(=O)n12
BDBM50340045 Nc1nc2n(CCN3CCC4(CC3)OCCO4)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12
BDBM50340046 Nc1nc2n(CCN3CCC4(CC3)OCCO4)ncc2c2nn(Cc3ccccc3)c(=O)n12
BDBM50340047 Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12
BDBM50340048 Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3ccccc3)c(=O)n12
BDBM50340049 CN(C)CCn1ncc2c3nn(Cc4cccc(Cl)c4)c(=O)n3c(N)nc12
BDBM50340050 CN(C)CCn1ncc2c1nc(N)n1c2nn(Cc2ccccc2)c1=O
BDBM50340051 Nc1nc2n(C=C)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12
BDBM50340052 Nc1nc2n(C=C)ncc2c2nn(Cc3ccccc3)c(=O)n12
BDBM50340053 Nc1nc2-c3ccccc3CCc2c2nn(Cc3ccccc3)c(=O)n12
BDBM50340054 Nc1nc(cc2nn(Cc3ccccc3)c(=O)n12)-c1cccnc1
BDBM50340055 COc1ccc(cc1)-c1cc2nn(Cc3ccccc3)c(=O)n2c(N)n1
BDBM50340056 Nc1nc(cc2nn(Cc3ccccc3)c(=O)n12)-c1cccc(CO)c1
BDBM50340057 Nc1nc(cc2nn(Cc3ccccc3)c(=O)n12)-c1ccccc1
BDBM50330619 Cc1nc2c(c(Cl)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
BDBM50330623 Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1
BDBM50330624 Cc1nc2c(c(nn(Cc3ccccc3)c2=S)-c2ccncc2)c2cc(nn12)-c1ccccc1
BDBM50330626 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1
BDBM50330627 CC(C)c1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
BDBM50330628 CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
BDBM50330629 CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
BDBM50330630 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
BDBM50330631 O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1
BDBM50330632 O=c1n(Cc2ccccc2)nc(-c2ccncc2)c2c3cc(nn3cnc12)-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|
BDBM50275660 COc1ccccc1-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50262322 Cc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccco1
BDBM50262323 Nc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1
BDBM50205702 CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(cc1)C(C)=O
BDBM50080291 Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
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
BDBM50316203 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN1CCCCC1 |r|
BDBM50316204 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN(C(C)C)C1CCCC1 |r|
BDBM50316205 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN(C(C)C)C(C)C |r|
BDBM50316206 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN1CCc2ccccc2C1 |r|
BDBM50316207 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCN(C)C(=O)NCCN1CCCCC1 |r|
BDBM50316208 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCc1ccccc1 |r|
BDBM50316209 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCc1ccccc1 |r|
BDBM50316210 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCc1ccccn1 |r|
BDBM50316211 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCc1ccc(CN(CC)CC)cc1 |r|
BDBM50316212 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1 |r|
BDBM50316213 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCc1ccc(cc1)C(O)=O |r|
BDBM50214974 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
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|
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|
BDBM50298509 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50298510 Clc1cccc(Cl)c1CC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50321544 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12
BDBM50321545 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3ccnc3)sc12
BDBM50321546 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cnnn3)sc12
BDBM50321547 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)-n3cccn3)sc12
BDBM50321548 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCCCC3)sc12
BDBM50321549 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCOCC3)sc12
BDBM50321550 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N(C)CCOC)sc12
BDBM50321551 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCN(C)CC3)sc12
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
BDBM50301095 CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
BDBM50301098 CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
BDBM50321552 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)NC)sc12
BDBM50321553 CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N3CCCC3)sc12
BDBM50279424 COc1ccc(cc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50262498 Cc1ccc(o1)-c1cc(nc(N)c1C#N)-c1ccco1
BDBM50279464 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCC2)c1
BDBM50266383 CN1CCN(CC1)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50275695 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(c1)C#N
BDBM50275696 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(CC#N)c1
BDBM50272032 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccncc3)nc3ccccc3n2c1=O
BDBM50279444 COc1ccc(cc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50279447 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCCC2)c1
BDBM50279448 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCOCC2)c1
BDBM50256418 COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2cccc(c2)C#N)CC1
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
BDBM50256362 Nc1nc(cc2nc(nn12)-c1ccco1)N(CCN1CCN(CC1)c1ccc(F)cc1F)CC1CC1
BDBM50256363 COCCOc1ccc(cc1)N1CCN(CCN(CC2CC2)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50256364 COCCOc1ccc(cc1)N1CCN(CCOc2cc3nc(nn3c(N)n2)-c2ccc(Cl)o2)CC1
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|
BDBM50262324 COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1ccccc1
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
BDBM50316897 CCN1CCC(CC1)N(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316898 Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCOCC1
BDBM50316899 CN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316900 CCN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
BDBM50316901 Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCN(CC2CC2)CC1
BDBM50316902 CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1)C(C)C
BDBM52672 CCOC(=O)c1cnc2nc(C)ccc2c1O
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
BDBM50364043 Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50364044 Nc1nc(OCCc2cccc3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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|
BDBM50364061 CCn1nnnc1[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
BDBM50364062 COc1cc(OC)cc(c1)[C@@H](CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C |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,)|
BDBM50364064 CCNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](CC)Cc3sccc3Cl)ccnc12 |r|
BDBM86760 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
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|
BDBM50363171 CCCCCCc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |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|
BDBM50360180 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1cccc2ccccc12
BDBM50360181 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccc(Cl)cc1
BDBM50360182 [NH3+]CCNc1nc(NCC[NH3+])n2nc(nc2n1)-c1ccco1
BDBM50360183 Nc1nc(NCC[NH3+])nc2nc(nn12)-c1ccco1
BDBM50360184 Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1 |(33.51,-20.77,;33.51,-22.31,;32.18,-23.08,;32.18,-24.63,;30.84,-25.4,;29.51,-24.62,;28.17,-25.39,;26.84,-24.61,;25.51,-25.37,;25.5,-26.91,;24.16,-27.67,;22.83,-26.89,;26.83,-27.69,;28.17,-26.92,;33.51,-25.4,;34.85,-24.63,;36.32,-25.11,;37.23,-23.85,;36.32,-22.6,;34.85,-23.08,;38.77,-23.85,;39.68,-22.61,;41.14,-23.08,;41.14,-24.62,;39.68,-25.1,)|
BDBM50360185 Nc1nc(NCCC[NH3+])nc2nc(nn12)-c1ccco1
BDBM50360186 Nc1nc(NCCCCC[NH3+])nc2nc(nn12)-c1ccco1
BDBM50360187 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1
BDBM50360188 CC(C)(C)C(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50360189 CC(C)(C)CC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50360190 O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1
BDBM50360191 Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1
BDBM50360192 Nc1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50360193 O=C(Nc1nc(=O)[nH]c2nc(nn12)-c1ccco1)c1ccccc1
BDBM50360194 Nc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1
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
BDBM50360198 CC(C)(C)OC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50360199 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCCC1
BDBM50360200 Nc1nc(nc2nc(nn12)-c1ccco1)N1CC[NH2+]CC1
BDBM50360201 CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(nc3n2)-c2ccco2)CC1 |(24.73,-16.21,;24.74,-14.67,;23.41,-13.89,;23.4,-15.43,;26.07,-13.91,;26.09,-12.37,;24.76,-11.59,;27.42,-11.61,;28.75,-12.39,;30.09,-11.63,;30.1,-10.09,;31.44,-9.33,;32.76,-10.11,;34.09,-9.34,;34.1,-7.8,;35.44,-7.04,;35.44,-5.49,;36.77,-4.72,;36.76,-3.18,;38.1,-5.48,;39.58,-5,;40.49,-6.26,;39.58,-7.51,;38.11,-7.04,;36.77,-7.81,;42.03,-6.26,;42.93,-5.01,;44.4,-5.49,;44.4,-7.03,;42.93,-7.5,;32.77,-11.64,;31.42,-12.41,)|
BDBM50360202 CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50360203 CC(C)(C)OC(=O)NCCCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50360204 CC(C)(C)OC(=O)NCCOCCOCCNc1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50360205 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(F)cc2)CC1
BDBM50360206 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Br)cc2)CC1
BDBM50360207 Nc1nc(NCCOCCOCC[NH3+])nc2nc(nn12)-c1ccco1
BDBM50360208 CCCCC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50360209 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)Cc1ccccc1
BDBM50360210 COC(=O)CCC(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50360211 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)C(Cl)Cl
BDBM50360212 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50360213 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)C(=O)c1ccccc1
BDBM50343135 Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
BDBM50342509 Nc1nc2n(CCCc3ccc(OCCCF)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50342510 COC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50342511 Nc1nc2n(CCCc3ccc(OCC(O)=O)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
BDBM50342517 CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)COc3ccc(CCCn4ncc5c4nc(N)n4nc(nc54)-c4ccco4)cc3)c3ccc(cc3oc2c1)=[N+](C)C |(40.33,-23.99,;38.99,-23.23,;38.97,-21.69,;37.66,-24.02,;36.31,-23.26,;35,-24.04,;35.01,-25.57,;33.69,-26.35,;32.35,-25.58,;32.34,-24.04,;31.01,-23.28,;29.68,-24.05,;29.68,-25.59,;31.02,-26.36,;30.24,-27.68,;30.99,-29.03,;28.7,-27.67,;28.35,-23.29,;28.34,-21.75,;27.01,-24.06,;25.68,-23.3,;24.34,-24.07,;23.01,-23.31,;21.67,-24.08,;21.68,-25.62,;20.34,-23.31,;19.01,-24.09,;19.01,-25.63,;17.68,-26.4,;17.68,-27.95,;19.01,-28.72,;19.01,-30.26,;20.35,-31.03,;20.35,-32.57,;21.68,-33.34,;21.85,-34.87,;23.35,-35.19,;24.12,-33.85,;23.09,-32.71,;23.57,-31.25,;25.08,-30.94,;25.56,-29.48,;26.1,-32.09,;27.63,-32.09,;28.1,-33.55,;26.86,-34.45,;25.62,-33.54,;29.57,-34.04,;29.39,-35.57,;30.79,-36.21,;31.84,-35.08,;31.08,-33.73,;20.35,-27.94,;20.35,-26.39,;33.7,-27.89,;32.38,-28.65,;32.38,-30.19,;33.72,-30.95,;35.04,-30.18,;35.03,-28.65,;36.36,-27.88,;36.35,-26.33,;37.67,-25.55,;33.72,-32.49,;35.06,-33.26,;32.39,-33.27,)|
BDBM50342518 Nc1nc2n(CCCc3ccc(OCC(=O)NCCNCCNC(=O)CCCCCNC(=O)COc4ccc([CH+]\C=c5\ccc6=Cc7ccc(-c8ccc[nH]8)n7[B-](F)(F)n56)cc4)cc3)ncc2c2nc(nn12)-c1ccco1 |t:44|
BDBM50342519 Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)COc3ccc(CCCn4ncc5c4nc(N)n4nc(nc54)-c4ccco4)cc3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O |(9.9,8.23,;8.57,7.44,;7.23,8.2,;5.91,7.42,;5.93,5.89,;4.6,5.12,;3.27,5.88,;3.26,7.43,;1.92,8.19,;.6,7.41,;.6,5.87,;1.93,5.1,;1.15,3.78,;1.91,2.44,;-.39,3.79,;-.74,8.17,;-.75,9.71,;-2.07,7.4,;-3.41,8.16,;-4.74,7.39,;-6.08,8.16,;-7.41,7.38,;-7.41,5.84,;-8.75,8.15,;-10.08,7.37,;-10.08,5.83,;-11.41,5.06,;-11.41,3.52,;-10.07,2.74,;-10.07,1.2,;-8.74,.43,;-8.74,-1.11,;-7.41,-1.88,;-7.24,-3.41,;-5.73,-3.73,;-4.97,-2.39,;-5.99,-1.25,;-5.52,.21,;-4.01,.52,;-3.53,1.98,;-2.99,-.62,;-1.45,-.63,;-.98,-2.09,;-2.23,-2.99,;-3.47,-2.08,;.49,-2.57,;.96,-4.04,;2.5,-4.05,;2.98,-2.58,;1.74,-1.67,;-8.74,3.52,;-8.74,5.07,;4.62,3.58,;3.29,2.81,;3.29,1.27,;4.63,.51,;4.64,-1.03,;5.95,1.28,;5.94,2.81,;7.28,3.58,;7.26,5.13,;8.58,5.91,;9.93,5.15,;9.94,3.61,;11.01,6.25,;11.41,4.76,;7.29,.52,;7.29,-1.02,;8.05,1.86,;8.77,.13,)|
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
BDBM50357803 COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n21
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
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
BDBM50346909 Cn1cc2c(n1)c(N)nc1c(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
BDBM50367265 NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
BDBM82558 CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50369352 C[C@@]1(O)[C@H](O)[C@@H](CO)OC1n1cnc2c(N)nc(Cl)nc12 |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
BDBM85618 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
BDBM85619 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM50366323 Nc1ncnc2n(C[C@H](O)CO)cnc12 |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|
BDBM50370687 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
BDBM50370121 CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 |r|
BDBM50372560 COc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1
BDBM50372561 Cc1cc(C)n(n1)-c1cc(NC(=O)Cc2ccc(CN3CCOCC3)cc2)nc(n1)-c1ccc(C)o1
BDBM50372562 CN(C)Cc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1
BDBM50372563 CN(C)c1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1
BDBM50372564 Cc1cc(C)n(n1)-c1cc(NC(=O)Cc2ccc(NS(C)(=O)=O)cc2)nc(n1)-c1ccc(C)o1
BDBM50372565 COc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1C
BDBM50372566 COc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1F
BDBM50372567