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1694 SMILES Strings for Adenosine Receptors A2a (A2a)

Compound NameSMILES String
BDBM50454227 CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC |c:5,10|
BDBM50454226 CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1)C(=O)OC |c:5,10|
BDBM50009525 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82022 Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50009552 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM10849 Cn1cnc2n(C)c(=O)n(C)c(=O)c12
BDBM10847 Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM14487 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM15336 CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
BDBM16173 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
BDBM19254 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
BDBM18137 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM21172 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1
BDBM21173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
BDBM21174 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1
BDBM21175 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1
BDBM21178 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21190 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
BDBM21192 CCN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21193 CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21194 CN(C)C[C@H]1CCCN(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|
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
BDBM21198 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-c1ccc(C)o1
BDBM21199 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCOCC2)nc(n1)-c1ccc(C)o1
BDBM21200 COC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21201 CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
BDBM21203 CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21207 CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21208 CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21209 CN(C)C[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21210 CN(C)C[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
BDBM21212 CN(C)[C@H]1CCN(CCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
BDBM21220 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM21221 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM19459 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM22926 CCCCCCC(C(C)O)n1cnc2c(N)ncnc12
BDBM22111 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM25400 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM26664 Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM26236 COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM29525 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
BDBM28422 C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50450928 OC(=O)C[C@@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
BDBM50451102 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O |r|
BDBM50451101 Nc1cc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
BDBM50451103 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O |r|
BDBM50451105 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O |r|
BDBM50451108 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[N+]([O-])=O |r|
BDBM32370 Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50450927 OC(=O)C[C@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
BDBM35804 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
BDBM38920 Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1
BDBM50654 Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)C(O)C1O
BDBM67935 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21|
BDBM68391 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
BDBM82015 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
BDBM82026 Nc1nccc2N(CSc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82031 Nc1[nH]c(=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82032 CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
BDBM82036 CNc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
BDBM82045 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CI)[C@@H](O)[C@H]1O |r|
BDBM82055 Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82541 Nc1ncnc2n(c[n+]([O-])c12)C1OC(CO)C(O)C1O
BDBM82019 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)n1ccnc21 |r|
BDBM82023 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM82024 Nc1nc(NCCCO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82025 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
BDBM82028 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](NC(=O)C2CCCCC2)[C@@H](O)[C@H]1O |r|
BDBM82029 OC[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(ccc3O)N(=O)=O)ncnc12 |r|
BDBM82030 CC(=O)N[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM82034 CC(=O)OCC1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM82035 Nc1nc(NCCO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82521 Cn1cnc2c1n(C)c(=O)[nH]c2=O
BDBM82037 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r|
BDBM82040 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CON(=O)=O)[C@@H](O)[C@H]1O |r|
BDBM82522 Cn1cnc2[nH]c(=O)[nH]c(=O)c12
BDBM82523 Clc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
BDBM82524 CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM82526 NC1=Nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(N1)Sc1ccc(cc1)[N+]([O-])=O |r,t:1|
BDBM82527 CN(Cc1ccccc1)c1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82528 CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
BDBM82529 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2C(NCc3ccccc3)N(O)C=Nc12 |r,c:26|
BDBM82044 Cn1c(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc1=O |r|
BDBM82048 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O |r|
BDBM82049 NC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM82050 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)CC4c3ccc(Cl)cc3)ncnc12 |r,wU:7.8,5.5,wD:2.1,4.9,(5.66,1.76,;4.18,2.16,;3.15,1.02,;1.61,1.18,;.99,-.23,;2.13,-1.26,;1.97,-2.79,;3.47,-.49,;4.87,-1.12,;-.52,-.55,;-1.14,-1.96,;-2.68,-1.8,;-3,-.29,;-4.33,.48,;-5.66,-.29,;-5.66,-1.83,;-4.33,-2.6,;-4.33,-4.14,;-5.66,-4.91,;-6.1,-3.91,;-5.12,-3.14,;-7,-4.14,;-7,-2.6,;-8.18,-2.14,;-8.18,-.6,;-9.51,.17,;-10.85,-.6,;-12.05,.27,;-10.85,-2.14,;-9.51,-2.91,;-4.33,2.02,;-3,2.79,;-1.66,2.02,;-1.66,.48,)|
BDBM82051 COc1ccc(cc1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM82052 CCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM82530 CN1CNc2c1[nH]c(=O)[nH]c2=O
BDBM82533 Nc1ncnc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
BDBM82534 Cn1cnc2c1[nH]c(=O)n(C)c2=O
BDBM82535 O=c1n(C2CCCCC2)c2nc[nH]c2c(=O)n1C1CCCCC1
BDBM82536 CCCN1CN(CCC)C2=NCN([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C2C1N |r,t:9|
BDBM82537 CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2C(N)N(O)C=Nc12 |c:23|
BDBM82538 CCCCN1CN(CCCC)C2=NCN([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)C2C1N |r,t:11|
BDBM82539 Nc1ncnc2n(cnc12)[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82054 NC(=O)CCOC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM82540 OC1C(COP(O)(O)=O)OC(C1O)n1cnc2c1[nH]c(=O)[nH]c2=O
BDBM82542 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
BDBM82543 CCCn1c2nc[nH]c2c(=O)[nH]c1=S
BDBM82558 CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM81785 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(F)nc12 |r|
BDBM81786 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM81787 O[C@@H]1[C@@H](Cl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM81788 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](Cl)[C@@H](O)[C@H]1O |r|
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM81970 NC1CCCCC1
BDBM81818 NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
BDBM81819 NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
BDBM81822 Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(O)=O)C(O)C1O
BDBM85775 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23|
BDBM85208 CCNC(=O)[C@@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
BDBM85618 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
BDBM85619 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
BDBM85776 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
BDBM86694 ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
BDBM50452270 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
BDBM110136 Cn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110137 Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110138 Cn1c(\C=C\c2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110139 CCn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110140 CCn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110141 CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110142 CCn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110143 CCn1c(\C=C\c2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110144 CCn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110145 CCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC)c1=O
BDBM110148 CCn1c2nc(\C=C\c3cccc(Br)c3)n(C)c2c(=O)n(CC)c1=O
BDBM110149 CCn1c2nc(\C=C\c3ccc(Br)cc3)n(C)c2c(=O)n(CC)c1=O
BDBM110150 CCn1c2nc(\C=C\c3cccc(c3)C(F)(F)F)n(C)c2c(=O)n(CC)c1=O
BDBM110151 CCn1c(\C=C\c2cccc(Cl)c2)nc2n(CC)c(=O)n(CC)c(=O)c12
BDBM110152 CCn1c(\C=C\c2ccc(Cl)cc2)nc2n(CC)c(=O)n(CC)c(=O)c12
BDBM110153 CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(CC)c(=O)n(CC)c(=O)c12
BDBM110154 CCn1c(\C=C\c2cccc(Br)c2)nc2n(CC)c(=O)n(CC)c(=O)c12
BDBM110155 CCn1c(\C=C\c2ccc(Br)cc2)nc2n(CC)c(=O)n(CC)c(=O)c12
BDBM110156 CCn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(CC)c(=O)n(CC)c(=O)c12
BDBM110157 CCn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110158 CCn1c2nc(COc3ccccc3)n(C)c2c(=O)n(CC)c1=O
BDBM110159 CCn1c(COc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
BDBM110160 Cn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110161 CCn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM110162 CCn1c2nc(CCCc3ccccc3)n(C)c2c(=O)n(CC)c1=O
BDBM110163 CCn1c(CCCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
BDBM50452519 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ccnc12 |r|
BDBM50004587 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
BDBM50004571 Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1
BDBM50004461 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1
BDBM50004464 Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](O)C1O
BDBM50004566 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50009546 COc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50003019 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20|
BDBM50001493 CCCn1c2nc[nH]c2c(=O)[nH]c1=O
BDBM50001514 CCn1c(=O)n(C)c2nc[nH]c2c1=O
BDBM50004710 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@@H](N12)c1ccccc1 |t:4,19|
BDBM50004713 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50004714 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50004716 CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1 |t:4,19|
BDBM50004721 CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50004722 CCCOC1=Nc2c(ncn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19|
BDBM50007848 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
BDBM50008416 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCCC1
BDBM50008874 Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
BDBM50008368 Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1F
BDBM50008386 Cn1cnc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50008405 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50008415 OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50006702 CCCn1c2nc(\C=C\c3ccccc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006703 CCCn1c2nc(\C=C\c3ccc(OC)cc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006707 CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006710 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006714 CCCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50006730 CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
BDBM50009684 CCn1cnc2c(NC3CCCC3)ncnc12
BDBM50009685 Cn1cnc2c(N)ncnc12
BDBM50453444 Nc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50453442 Nc1ccc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
BDBM50453443 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(NC)nc12 |r|
BDBM50009698 Cn1cnc2c(NC3CCCC3)ncnc12
BDBM50009263 CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
BDBM50009709 CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
BDBM50453792 COc1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
BDBM50453793 COc1cc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O |r|
BDBM50453794 COc1ccccc1\C=C\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50453795 CN(C)c1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
BDBM50453787 Nc1nc(N\N=C\C=C\c2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50453796 [#7]-c1nc(-[#7]\[#7]=[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
BDBM50453788 Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50453789 Nc1nc(N\N=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50453790 Nc1nc(N\N=C\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50453791 Nc1nc(N\N=C\C=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50454421 CCCCCCc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
BDBM50454422 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12 |r|
BDBM50454423 CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
BDBM50454424 CCCC\C=C/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50454425 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\c3ccccc3)nc12 |r|
BDBM50454426 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\CCCc3ccccc3)nc12
BDBM50454225 CCOC(=O)C1=C(C)NC(C)=C(C1\C=C\c1ccccc1)C(=O)OC |c:5,10|
BDBM50454909 CC(=O)OC1C(Oc2cc(OC(C)=O)cc(OC(C)=O)c2C1=O)c1ccccc1
BDBM50014007 CCOC(=O)C1C(C)C(C(=O)OCCSc2ccccc2)=C(C)N=C1C |c:24,t:21|
BDBM50014295 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
BDBM50014251 Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O
BDBM50014323 O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
BDBM50014280 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1
BDBM50018169 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)S(O)(=O)=O
BDBM50018171 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
BDBM50018417 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(O)=O)cc1
BDBM50018151 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O
BDBM50018152 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50018157 Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50018162 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50015650 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(OCC(O)=O)cc3)nc12
BDBM50015653 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12
BDBM50015655 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(Cl)cc3)nc12
BDBM50018905 CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
BDBM50023353 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1O
BDBM50453224 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50455120 CCOC(=O)C1=C(C)NC(C2CCCC2)=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1 |c:5,15|
BDBM50023498 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
BDBM50455069 C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 |r|
BDBM50455070 CO.CC(NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50455071 C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 |r|
BDBM50455072 C[C@@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 |r|
BDBM50455116 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4ccccn4)cc3)ncnc12 |r|
BDBM50455117 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4ncccn4)cc3)ncnc12 |r|
BDBM50020960 Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccccc1
BDBM50021077 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
BDBM50021080 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
BDBM50021085 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
BDBM50021448 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1O
BDBM50021449 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O
BDBM50021452 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O
BDBM50021454 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)ccc1O
BDBM50021484 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCCC3)ncnc12
BDBM50028567 NCC1OC(C(O)C1O)n1cnc2c(N)ncnc12
BDBM50028962 O=c1cc(oc2ccccc12)-c1ccccc1
BDBM50453346 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C |r|
BDBM50009531 Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50025708 CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50025584 Cn1c2ncn(CCCl)c2c(=O)n(C)c1=O
BDBM50025883 Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
BDBM50025687 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
BDBM50025690 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1
BDBM50453673 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50453674 CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453675 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453652 OC[C@@H](O)Cn1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50453653 CNC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453654 CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453655 CNC(=O)[C@@H]1CC[C@@H](O1)n1cnc2c(NCc3ccccc3)nc(Cl)nc12 |r|
BDBM50453676 C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50453677 Ic1cccc(CNc2ncnc3n(CCCC#N)cnc23)c1
BDBM50453679 Cn1cnc2c(NCc3cccc(I)c3)nc(NN)nc12
BDBM50453657 CNC(=O)[C@@H]1C[C@@H](F)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453658 CNc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
BDBM50453659 CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
BDBM50453660 CNc1nc(NC(=O)c2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50453661 COc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
BDBM50453662 Cn1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50453663 OCCn1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50453665 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453666 CSc1nc(NCc2cccc(I)c2)c2ncn(C[C@H](O)CO)c2n1
BDBM50453667 CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
BDBM50453668 Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc12
BDBM50453669 CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453670 Cn1cnc2c(NCc3cccc(I)c3)nc(N)nc12
BDBM50453671 [H][C@]12OC(=S)O[C@@]1([H])[C@@H](O[C@@H]2C(=O)NC)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50453672 Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50453915 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50453916 OC[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12 |r|
BDBM50454081 Nc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50454082 CNC(=O)[C@@]1(C)O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50454083 Nc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@H](CO)[C@@H](O)[C@@H]1O |r|
BDBM50454084 Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(Br)nc12 |r|
BDBM50453913 OC[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50454085 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4O3)ncnc12 |r|
BDBM50453914 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
BDBM50454086 CCCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50454087 Nc1nc(N)c2ncn([C@@H]3CCC[C@H]3O)c2n1 |r|
BDBM50454088 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
BDBM50454089 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r|
BDBM50031231 Nc1ncnc2n(cnc12)C1OC(CO)CC1O
BDBM50031233 CC1OC(C(O)C1O)n1cnc2c(N)ncnc12
BDBM50031254 Nc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1
BDBM50454295 CCOC(=O)c1sc(SC(C)CC)c2c1CC(C)(C)CC2=O
BDBM50454204 C[C@@H](Cc1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1 |r|
BDBM50454205 C[C@@H](Cn1c2ccccc2c2c(N)nc(nc12)-c1ccccc1)c1ccccc1 |r|
BDBM50454297 CCOC(=O)c1sc(SCC)c2c1CC(C)(C)CC2=O
BDBM50454471 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(F)cc3)ncnc12 |r|
BDBM50454460 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3Cl)ncnc12 |r|
BDBM50454472 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(I)cc3)ncnc12 |r|
BDBM50454473 CCCCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC |r|
BDBM50454474 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(I)c3)ncnc12 |r|
BDBM50454461 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Br)c3)ncnc12 |r|
BDBM50454462 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)ncnc12 |r|
BDBM50454463 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)ncnc12 |r|
BDBM50454475 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(Cl)cc3)ncnc12 |r|
BDBM50454476 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)ncnc12 |r|
BDBM50454477 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3OC)ncnc12 |r|
BDBM50454464 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(C)cc3)ncnc12 |r|
BDBM50454465 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(F)c3)ncnc12 |r|
BDBM50454478 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3I)ncnc12 |r|
BDBM50454466 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r|
BDBM50454467 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(OC)c3)ncnc12 |r|
BDBM50454479 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)ncnc12 |r|
BDBM50453528 Nc1ncnc2n(cnc12)[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O |r|
BDBM50454468 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NC(C)(C)C)ncnc12 |r|
BDBM50454469 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3C(F)(F)F)ncnc12 |r|
BDBM50454470 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3F)ncnc12 |r|
BDBM50030271 CC(=O)NCCc1c2scnc2c2nccc3c4ccccc4[nH]c1c23
BDBM50454665 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50454668 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(cc1)[N+]([O-])=O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50454669 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50454670 OC[C@H]1O[C@H]([C@H](O)[C@H]1N=[N+]=[N-])n1cnc2c(NC3CCCC3)ncnc12
BDBM50454671 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCCC2CCCCC2)[C@H]1O
BDBM50454672 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)CCOc2ccccc2)[C@H]1O
BDBM50454673 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50454674 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50454675 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)[C@H]1O
BDBM50454666 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)cc1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50454667 OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
BDBM50037420 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC(O)=O)cc1
BDBM50037421 CCCCn1c2nc(CCCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
BDBM50037422 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50037423 CCCCn1c2nc(C=CC(O)=O)[nH]c2c(=O)n(CCCC)c1=O |w:9.9|
BDBM50037425 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCC(O)=O)cc1
BDBM50037426 Cn1c(\C=C\c2cccc(NC(=O)CCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037427 CCCCn1c2nc(CCCCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
BDBM50037428 CCCCn1c2nc(\C=C\C(=O)OC)n(C)c2c(=O)n(CCCC)c1=O
BDBM50037429 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037424 CCCCn1c2nc[nH]c2c(=O)n(CCCC)c1=O
BDBM50037431 CCCCn1c(=O)n(Cc2ccccc2)c2nc[nH]c2c1=O
BDBM50037432 CCCCn1c2nc(CCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O
BDBM50037434 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)OCN(CC(O)=O)C(=O)OCC2c3ccccc3-c3ccccc23)cc1
BDBM50037435 OC(=O)COc1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
BDBM50037436 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CN(CC(O)=O)C(=O)CCC(O)=O)cc1
BDBM50037437 Cn1c(\C=C\c2cccc(NC(=O)CCCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037438 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNCC(O)=O)cc1
BDBM50037439 Cn1c(\C=C\c2cccc(NC(=O)CCCCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037440 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:22.24|
BDBM50037442 CCCCn1c2nc(\C=C\C(O)=O)n(C)c2c(=O)n(CCCC)c1=O
BDBM50037430 Cn1c(\C=C\C(O)=O)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50037441 Cn1c2nc(CCCC(O)=O)[nH]c2c(=O)n(C)c1=S
BDBM50454900 CNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50454091 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 |r|
BDBM50454901 CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50454902 CCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50454903 C[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50454904 CCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50454905 CCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50035800 COC(=[OH+])C1=C(C)[N-]C(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,9|
BDBM50034391 Cc1nn(-c2cccc(N)c2)c2oc3cc(O)ccc3c(=O)c12
BDBM50034392 Cc1nn(-c2ccc(Cl)c(c2)[N+]([O-])=O)c2nc3ccccc3c(O)c12
BDBM50034394 CCCOc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(c1)[N+]([O-])=O
BDBM50034395 Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3cc(OCc4ccccc4)ccc3c(=O)c12
BDBM50034396 COc1ccc2oc3n(nc(C)c3c(=O)c2c1)-c1ccccc1
BDBM50034682 COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50034683 COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50034397 Cc1nn(-c2cccc(N)c2)c2oc3cc(OCCc4ccccc4)ccc3c(=O)c12
BDBM50034398 Cc1nn(-c2ccccc2)c2nc3ccccc3c(O)c12
BDBM50034399 Cc1nn(-c2ccccc2)c2oc3cc(O)ccc3c(=O)c12
BDBM50034400 Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3ccc(Br)cc3c(=O)c12
BDBM50034401 Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3cc(OCCc4ccccc4)ccc3c(=O)c12
BDBM50034402 Cc1nn(-c2cccc(NCc3ccccc3)c2)c2oc3ccccc3c(=O)c12
BDBM50034403 Cc1nn(-c2ccc(Cl)c(c2)[N+]([O-])=O)c2oc3ccccc3c(=O)c12
BDBM50034404 Cc1nn(-c2cccc(O)c2)c2nc3ccccc3c(O)c12
BDBM50034878 CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
BDBM50034896 CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
BDBM50034904 Clc1nc(NC(=O)c2cccc(I)c2)c2ncn(C3CCCO3)c2n1
BDBM50034372 COc1cccc(c1)-n1nc(C)c2c(O)c3ccccc3nc12
BDBM50034373 Cc1nn(-c2cccc(N)c2)c2oc3ccc(Br)cc3c(=O)c12
BDBM50034166 Nc1ncnc2n(cnc12)C1CC(O)C=C1 |c:16|
BDBM50034374 COc1cccc(c1)-n1cnc2nc3ccccc3nc12
BDBM50034375 COc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1ccccc1
BDBM50034178 Nc1nc(Cl)nc2n(cnc12)C1CC(O)C(CO)S1
BDBM50034179 Nc1ncnc2n(C3OC(CO)C(O)C3O)c(Br)nc12
BDBM50034180 Nc1nc(NCCc2ccccc2)nc2n(cnc12)C1CC(O)C(O)C1O
BDBM50034377 Cc1nn(-c2ccc(Cl)c(N)c2)c2oc3ccccc3c(=O)c12
BDBM50034378 COc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(c1)[N+]([O-])=O
BDBM50034379 COc1ccc2oc3n(nc(C)c3c(=O)c2c1)-c1cccc(N)c1
BDBM50034380 Cc1nn(-c2cccc(N)c2)c2nc3ccccc3c(O)c12
BDBM50034381 Cc1nn(-c2ccccc2)c2oc3ccc(Br)cc3c(=O)c12
BDBM50034382 Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2nc3ccccc3c(O)c12
BDBM50034185 CC1CC(C(O)C1O)n1cnc2c(N)ncnc12
BDBM50034383 Cc1nn(-c2cccc(N)c2)c2oc3ccccc3c(=O)c12
BDBM50034384 COc1ccc2c(c1)oc1n(nc(C)c1c2=O)-c1cccc(N)c1
BDBM50034385 Oc1cccc(c1)-n1cnc2nc3ccccc3nc12
BDBM50034386 COc1ccc2oc3n(nc(C)c3c(=O)c2c1)-c1cccc(c1)[N+]([O-])=O
BDBM50034387 Cc1nn(-c2ccc(Cl)c(N)c2)c2nc3ccccc3c(O)c12
BDBM50034388 [O-][N+](=O)c1cccc(c1)-n1cnc2nc3ccccc3nc12
BDBM50034389 Cc1nn(-c2ccccc2)c2oc3ccc(O)cc3c(=O)c12
BDBM50034390 Cc1nn(-c2cccc(c2)[N+]([O-])=O)c2oc3cc(=[OH+])ccc3c([O-])c12
BDBM50039676 CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
BDBM50042201 Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1ccccc1
BDBM50041905 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
BDBM50042205 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50042208 Cn1c2nc[nH]c2c(=O)n(CC#C)c1=O
BDBM50042209 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50042211 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
BDBM50042214 O=c1[nH]c2nc([nH]c2c(=O)[nH]1)-c1ccccc1
BDBM50041598 Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O |w:6.6|
BDBM50041599 Cn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1
BDBM50041576 Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50041590 CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccccc1
BDBM50047184 CCn1c2nc(\C=C\c3cc(OC)c(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
BDBM50047197 CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50047157 Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50047166 COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
BDBM50047171 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50047174 CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50047179 CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
BDBM50045342 CCC\C=C\c1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50045348 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C(F)(F)F
BDBM50045349 CCCn1c2nc(C)[nH]c2c(=O)n(CCC)c1=O
BDBM50045351 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCC1
BDBM50045352 Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)-c1ccccc1
BDBM50045336 Cc1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM50045338 Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccccc1
BDBM50045339 CCCn1c2nc(-c3ccc(cc3)C(F)(F)F)n(CC=C)c2c(=O)n(CCC)c1=O
BDBM50045340 Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccc(cc1)C(F)(F)F
BDBM50045341 Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(cc1)C(F)(F)F
BDBM50045343 Cn1c(\C=C\C(=O)OC(C)(C)C)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50045344 Cn1c(nc2n(C)c(=O)n(CC=C)c(=O)c12)-c1ccc(cc1)S(O)(=O)=O
BDBM50045346 CCCC=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 |w:3.2|
BDBM50045347 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(F)(F)F
BDBM50045350 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(F)(F)F
BDBM50045353 Cn1c2nc(-c3ccccc3)n(CC=C)c2c(=O)n(CC=C)c1=O
BDBM50045354 Cn1c(Br)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50045355 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCC1
BDBM50049384 COc1cc(OC)c2c(c1)oc(-c1ccccc1)c(OC)c2=O
BDBM50049387 COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1
BDBM50049388 CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccccc1)c(OC(C)=O)c2=O
BDBM50049390 COc1cc2n(C)c3ccccc3c(=O)c2c(O)c1OC
BDBM50049385 Oc1cccc2oc(cc(=O)c12)-c1ccccc1
BDBM50049386 O=C1c2ccccc2-c2cc3OCOc3cc12
BDBM50049394 COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1
BDBM50049395 COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
BDBM50049396 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(C)cc2o1
BDBM50049399 COc1ccc(c(OC)c1)-c1oc2cc(OC)cc(OC)c2c(=O)c1OC
BDBM50049402 COc1ccc(cc1OC)-c1cc(=O)c2ccc(O)cc2o1
BDBM50049403 CCn1c2CCCC(=O)c2c2cc3OCOc3cc2c1=O
BDBM50049391 Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
BDBM50049392 COc1cc2c3C(=O)CCCc3oc(=O)c2cc1OC
BDBM50048456 CCSc1sc(C(=O)OC)c2CCCC(=O)c12
BDBM50048457 CCOC(=O)c1sc(SC)c2C(O)CCCc12
BDBM50048458 CCCN1CN(CCC)C(=O)c2[nH]c(nc12)-c1ccc(OCC(=O)NCCN)cc1
BDBM50048462 CCOC(=O)CSc1sc(C(=O)OCC)c2CCCC(=O)c12
BDBM50048465 CCCCSc1sc(C(=O)OCC)c2CCCC(=O)c12
BDBM50048466 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50048467 CCCSc1sc(C(=O)OCC)c2CCCC(=O)c12
BDBM50048448 CCOC(=O)c1sc(SC)c2c1CCCC2=O
BDBM50048449 CCOC(=O)c1sc(SC(C)C)c2c1CCCC2=O
BDBM50048450 Nc1nc2ccccc2n2cc(nc12)-c1ccccc1
BDBM50048451 CCOC(=O)c1sc(SCC=C)c2c1CCCC2=O
BDBM50048452 CCOC(=O)c1sc(NN)c2c1CCCC2=O
BDBM50048453 OC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
BDBM50048454 CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
BDBM50051674 O=C1Nc2nc[nH]c(=O)c2C11CCCC1
BDBM50051675 C[C@@H](c1ccc(C)cc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
BDBM50051676 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
BDBM50051677 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
BDBM50051678 C[C@@H](N1C(=O)C2(CCCC2)c2c1nc([nH]c2=O)-c1ccccc1)c1ccccc1
BDBM50051679 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)cc1
BDBM50051648 C[C@H](c1ccc(C)cc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
BDBM50051649 C[C@@H](N1C(=O)C2(CCCC2)C2=C1N=C(NC2N)c1ccccc1)c1ccccc1 |c:11,14|
BDBM50051650 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)cc1
BDBM50051651 COc1ccc(cc1)-c1nc(N)c2c(C)c(C)n([C@H](C)c3ccccc3)c2n1
BDBM50051652 O=C1N(c2nc[nH]c(=O)c2C11CCCC1)c1ccccc1
BDBM50051653 C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
BDBM50051655 Nc1nc(nc2n(-c3ccccc3)c3ccccc3c12)-c1ccccc1
BDBM50051656 CC(c1ccccc1)n1c2ccccc2c2c(N)ncnc12
BDBM50051657 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccc(Cl)c1
BDBM50051658 C[C@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
BDBM50051659 C[C@H](Nc1ncnc2n([C@@H](C)c3ccccc3)c(C)c(C)c12)c1ccccc1
BDBM50051660 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl
BDBM50051661 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)c(Cl)c1
BDBM50051662 CC(N1C(=O)C2(CCCC2)c2c1nc[nH]c2=O)c1ccccc1
BDBM50051663 C[C@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1
BDBM50051664 C[C@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccccc1
BDBM50051665 C[C@@H](c1ccccc1)n1c2ccccc2c2c1nc([nH]c2=O)-c1ccccc1
BDBM50051666 C[C@@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccccc1
BDBM50051667 COc1cccc(c1)-c1nc(N)c2c(C)c(C)n([C@H](C)c3ccccc3)c2n1
BDBM50051668 C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccc(Cl)c(Cl)c1
BDBM50051669 C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
BDBM50051670 C[C@H](c1ccccc1)n1c2ccccc2c2c1nc([nH]c2=O)-c1ccccc1
BDBM50051671 C[C@@H](c1ccccc1)n1c(C)c(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1
BDBM50051672 C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1
BDBM50051673 C[C@@H](Nc1ncnc2n([C@H](C)c3ccccc3)c(C)c(C)c12)c1ccccc1
BDBM50052379 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(O)c(OC)c1)C(=O)OC |c:5,t:8|
BDBM50052380 CCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:13,15|
BDBM50052382 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:5,t:8|
BDBM50052383 CCOC(=O)C1=C(C)N=C(C)C(C1C)C(=O)OC |c:5,t:8|
BDBM50052384 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc2OCOc2c1)C(=O)OC |c:5,t:8|
BDBM50052386 [#6]-[#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#6])-[#7]=[#6](-[#6])-[#6](-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6] |c:5,t:8|
BDBM50052388 CCCC1C(C(=O)OC)C(C)=NC(C)=C1C(=O)OCC |c:10,13|
BDBM50052389 COc1ccc(cc1)C1CC=NC=C1 |c:11,13|
BDBM50052390 CCOC(=O)C1=C(C)N=C(C)C(C1CC)C(=O)OC |c:5,t:8|
BDBM50052391 CCOC(=O)C1=C(C)N=C(C)C(C1CCc1ccccc1)C(=O)OC |c:5,t:8|
BDBM50052393 COC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(C)N=C1C |c:21,t:18|
BDBM50052394 CCOC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OC |w:22.24,c:5,t:8|
BDBM50052396 CCOC(=O)C1=C(C)N=C(C)C(C1c1ccc(OC)cc1)C(=O)OC |c:5,t:8|
BDBM50052397 CCCCC1=C(C(C)C(C(=O)OCC)C(C)=N1)C(=O)OCC |c:15,t:4|
BDBM50051226 Nc1nc2n(Cc3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50051227 CCCCn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
BDBM50051228 Nc1nc2n(CCN3CCOCC3)ncc2c2nc(nn12)-c1ccco1
BDBM50051229 Nc1nc2n(CCO)ncc2c2nc(nn12)-c1ccco1
BDBM50051336 CCOc1cc(O)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
BDBM50051337 CCCOc1cc(OCCC)c2c(c1)oc(-c1ccccc1)c(OCCC)c2=O
BDBM50051338 CCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
BDBM50051340 Oc1ccccc1C1CC(=O)c2ccccc2O1
BDBM50051230 Nc1nc2n[nH]cc2c2nc(nn12)-c1ccco1
BDBM50051231 OCCn1ncc2c3nc(nn3c(NCc3ccccc3)nc12)-c1ccco1
BDBM50051232 Nc1nc2nn(Cc3ccc(F)cc3)cc2c2nc(nn12)-c1ccco1
BDBM50051233 CC(C)(C)n1ncc2c1nc(N)n1nc(nc21)-c1ccco1
BDBM50051234 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
BDBM50051235 Nc1nc2n(CCCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50051236 Nc1nc2n(CCOCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50051237 CCC(C)Cn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
BDBM50051238 CC(C)Cc1ccc(CCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
BDBM50051240 Nc1nc2n(ncc2c2nc(nn12)-c1ccco1)-c1ccccc1
BDBM50051241 Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
BDBM50051242 CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50051349 COc1c2ccoc2cc2oc(C)cc(=O)c12
BDBM50051354 Clc1c(oc2ccccc2c1=O)-c1ccccc1
BDBM50051357 CCOc1ccc(c(OCC)c1)-c1oc2cc(OCC)cc(OCC)c2c(=O)c1OCC
BDBM50051243 Cn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
BDBM50051343 CCCOc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
BDBM50051344 COc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
BDBM50051345 CCOc1c2ccoc2cc2oc(\C=C\C=C\c3ccccc3)cc(=O)c12
BDBM50051347 CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
BDBM50051334 Clc1ccc2oc(-c3ccccc3)c(Cl)c(=O)c2c1
BDBM50054664 CCO\C([O-])=C1\C(\C=C\c2ccccc2)C(C(=[OH+])OCC)=C(C)N=C1c1ccc(cc1)[N+]([O-])=O |c:24,t:21|
BDBM50054665 CCOC(=O)C1C(CC)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:14,16|
BDBM50054666 CCOC(=O)C1C(C)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:19,21|
BDBM50054668 CCOC(=O)C1C(\C=C\c2ccc(N)cc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:22,24|
BDBM50054673 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1\C=C\c1ccccc1
BDBM50054677 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
BDBM50054681 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
BDBM50054689 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCc2ccccc2)=C(C)N=C1c1ccccc1 |c:30,t:27|
BDBM50053922 CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053923 CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053924 CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
BDBM50053925 Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50053926 CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053927 CCOC(=O)C1C(\C=C\c2ccccc2)c2cc(C(=O)OCC)c(C)cc2N=C1c1ccccc1 |c:29|
BDBM50053928 CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053929 Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50053930 CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053931 Clc1ccc2nc(NC(=O)c3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
BDBM50053932 CCCn1c2ccc(Cl)cc2c2nc(nn2c1=O)-c1ccco1
BDBM50053933 CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053934 CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053936 NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50053937 CCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50053938 CC(C)C(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50053940 CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50053941 CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50053942 CCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
BDBM50053943 CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50053944 CCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50053946 CCCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
BDBM50053947 CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50059381 CCOC(=O)C1=C(N=C(C)C(C1C#Cc1ccccc1)C(=O)SCC)c1ccccc1 |t:5,7|
BDBM50059392 CCOC(=O)C1C(C(C(=O)OCC)=C(N=C1C)c1ccccc1)c1ccncc1 |c:12,14|
BDBM50059414 CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccc(cc2)[N+]([O-])=O)c1C#Cc1ccccc1
BDBM50061948 CC(C)Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:9.9|
BDBM50061949 Cn1c(\C=C\c2ccsc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50061950 Cn1c(\C=C\c2ccc3OCOc3c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50061927 Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50061928 Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1cccs1
BDBM50061929 CC(C)Cn1c2nc(-c3ccccc3)n(CC#C)c2c(=O)n(C)c1=O
BDBM50061930 CC(C)Cn1c2nc(-c3ccccc3)n(C)c2c(=O)n(C)c1=O
BDBM50061931 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50061932 Cn1c2nc(\C=C\c3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O
BDBM50061933 COc1ccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)cc1OC
BDBM50061934 CCCn1c(=O)n(C)c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c1=O
BDBM50061935 Cn1c(\C=C\c2cccc(Cl)c2)nc2n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c12
BDBM50061936 Cn1c(\C=C\c2cccs2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50061937 O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7|
BDBM50061938 CC(C)Cn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
BDBM50061939 Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6|
BDBM50061940 O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1cccs1
BDBM50061941 Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC=C)c(=O)c12
BDBM50061942 CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
BDBM50061943 Cn1c(\C=C\c2ccco2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50061944 Cn1c2nc(C=Cc3ccc4OCOc4c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6|
BDBM50061945 O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1CC#C
BDBM50061946 Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)C1CCCCC1
BDBM50061947 Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50060839 Nc1ncnc2n(cnc12)C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O
BDBM50060840 COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50060845 Cc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50067081 Nc1nc2ccc(F)cc2c2nc(nn12)-c1ccco1
BDBM50067116 COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
BDBM50065755 CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065756 Clc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065757 C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
BDBM50065758 CC(C)(C)OC(=O)NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065759 CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065760 Clc1ccc2nc(NC(=O)Cc3ccc(I)cc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065761 Clc1ccc2nc(NC(=O)\C=C\c3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065763 NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065764 NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065765 CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065766 Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50065767 Clc1cccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
BDBM50065768 Clc1ccc2nc(NC(=O)Cc3ccccc3I)n3nc(nc3c2c1)-c1ccco1
BDBM50065769 Clc1ccc2nc(NC(=O)CCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065771 OC(=O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065772 COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065773 COC(=O)CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50064694 Nc1nc2n(CCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064695 Nc1nc2n(CCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
BDBM50064696 Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
BDBM50064697 Nc1nc2n(CCCc3ccc(O)c(O)c3)ncc2c2nc(nn12)-c1ccco1
BDBM50064698 Nc1nc2n(CCCc3ccc(OCc4ccccc4)cc3)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
BDBM50065774 C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
BDBM50065775 NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065776 COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
BDBM50065777 Clc1ccc2nc(NC(=O)CCCCC(=O)OCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065778 Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1I
BDBM50065779 CC(C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)(c1ccccc1)c1ccccc1
BDBM50065780 Clc1ccc2nc(NCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
BDBM50065781 NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
BDBM50065782 Clc1ccc2nc(NC(=O)Cc3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
BDBM50066281 CCOC(=O)c1c(C)nc(C2CCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
BDBM50066283 CCOC(=O)c1c(C)nc(C2CCCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1
BDBM50066287 CCCOC(=O)C1C(C)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:14,16|
BDBM50070863 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
BDBM50070864 CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O
BDBM50070865 CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1ccon1
BDBM50070866 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1c1ccon1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50070867 CONc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](C=C)[C@@H](O)[C@H]1O
BDBM50074213 CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1
BDBM50074216 CCCOC(=O)c1c(CCC)c(C(=O)SCCF)c(CC)nc1-c1ccccc1
BDBM50074218 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1cccc(F)c1
BDBM50074219 CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
BDBM50074220 CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
BDBM50074221 CCCOC(=O)c1c(CCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074222 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)nc1-c1ccccc1
BDBM50074223 CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
BDBM50074225 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074226 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCF)nc1-c1ccccc1
BDBM50074228 CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074230 CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074231 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074234 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCO)nc1-c1ccccc1
BDBM50074236 CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
BDBM50074237 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F
BDBM50074238 CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F
BDBM50074239 CCCOC(=O)c1c(CCC)c(C(=O)SCCO)c(CC)nc1-c1ccccc1
BDBM50079649 OC(=O)CC1=C(CCCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 |t:4|
BDBM50079650 OC(=O)CC1=C(CCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 |t:4|
BDBM50079652 OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
BDBM50079654 OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
BDBM50079655 OC(=O)CC1=C(CCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1 |t:4|
BDBM50082416 CCCn1cc2c(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
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
BDBM50082417 CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50081670 CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50081671 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50081672 CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C
BDBM50081673 CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50081674 CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)[n+](C)c1-c1ccccc1
BDBM50081675 CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1
BDBM50081676 CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
BDBM50081677 CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)[n+](C)c1-c1ccccc1
BDBM50081678 CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1
BDBM50081679 CCOC(=O)c1c(CC)c(C(=O)SCC)c(C)[n+](C)c1-c1ccccc1
BDBM50081680 CCSC(=O)c1c(CC)c(C(=O)OCCF)c(-c2ccccc2)[n+](C)c1CC
BDBM50080389 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12
BDBM50080390 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080394 C[C@H](COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080395 C[C@@H](COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080396 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc12
BDBM50080397 CC(COc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080398 C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50080399 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12
BDBM50080400 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Cl)nc12
BDBM50084445 OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
BDBM50084860 COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
BDBM50084861 Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCO)c(=O)n(CC#C)c(=O)c12
BDBM50084862 Cn1c(\C=C\c2cccc(O)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50084863 Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
BDBM50084864 COc1cccc(\C=C\c2nc3n(CCO)c(=O)n(CC#C)c(=O)c3n2C)c1
BDBM50084865 Cn1c(\C=C\c2cccc(Br)c2)nc2n(CCCO)c(=O)n(CC#C)c(=O)c12
BDBM50084866 COc1cccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)c1
BDBM50088242 CCNC(=O)[C@H]1CC([C@H](OC)[C@@H]1OC)n1cnc2c(N)nc(nc12)C#Cc1nccs1
BDBM50088245 CCNC(=O)[C@H]1CC([C@H](OC)[C@@H]1OC)n1cnc2c(N)nc(nc12)C#Cc1ccc(C=O)cc1
BDBM50088421 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50088422 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50088423 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
BDBM50088424 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50088425 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50088475 COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1
BDBM50088426 Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
BDBM50088428 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50088463 COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccn1
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
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
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
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
BDBM50086176 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
BDBM50086177 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)NC)cc1
BDBM50086178 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(C)c2ccccc2)cc1
BDBM50085658 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
BDBM50085659 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(NC3CCCCC3)nc12
BDBM50085667 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12
BDBM50086179 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 |t:32|
BDBM50086181 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)Nc2ccccc2C(C)=O)cc1 |w:22.24|
BDBM50086182 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
BDBM50086184 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
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
BDBM50086190 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(CC(=O)OCC)CC(=O)OCC)cc1
BDBM50085672 Nc1nc(NC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50090850 NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50094037 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
BDBM50094688 CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
BDBM50094589 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cccs1
BDBM50094591 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccncc1
BDBM50094594 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cc[n+]([O-])cc1
BDBM50094595 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1cnccn1
BDBM50094599 C[C@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccco1
BDBM50097430 O=C(Nc1nc(cs1)-c1ccccn1)c1ccccc1
BDBM50097440 O=C(Nc1nc(ns1)-c1ccccc1)c1ccccc1
BDBM50097445 O=C(Nc1nc(cs1)-c1ccccn1)C1CCCC1
BDBM50097423 COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50097425 O=C(Nc1nc(cs1)-c1ccccn1)Nc1ccccc1
BDBM50097431 COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM50097432 COC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(11.74,-12.58,;11.74,-11.03,;10.26,-10.63,;9.83,-9.57,;8.52,-8.82,;9.01,-7.58,;9.36,-8.59,;10.73,-9.39,;9.01,-6.26,;10.16,-5.6,;7.86,-5.6,;7.86,-4.26,;9.08,-3.7,;9.08,-2.15,;6.66,-2.15,;6.66,-3.56,;10.19,-1.04,;9.76,.44,;10.84,1.54,;12.37,1.17,;12.77,-.34,;11.69,-1.44,)|
BDBM50097444 Clc1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM50097451 Oc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50097452 OC(=O)COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
BDBM50096363 C[C@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50096364 CC(Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50096365 C[C@@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
BDBM50096295 OC1C(O)C(OC1COP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O
BDBM50095602 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
BDBM50095603 CCCn1c(=O)n(CCCCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50095604 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50095605 CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50095606 CCCn1c(=O)n(Cc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50095942 C[C@@H](CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1)c1ccccc1
BDBM50100416 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(Cl)nc12
BDBM50100418 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r|
BDBM50100419 CCNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)ncnc12
BDBM50100420 Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
BDBM50100421 OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50100423 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50106535 N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
BDBM50106536 N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
BDBM50106538 N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
BDBM50106539 NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM50106540 [#7]\[#6](-[#7])=[#7]\[#6@@H]-1-[#6@@H](-[#6]-[#8])-[#8]-[#6@H](-[#6@@H]1-[#8])-n1cnc2c(-[#7])ncnc12
BDBM50106541 N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50106542 CNC(=O)[C@@H]1C[C@H](N)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50106543 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
BDBM50113237 Cn1c2nc(-c3ccccc3)n(CCCl)c2c(=O)n(CC=C)c1=O
BDBM50113238 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)c(OC)c(O)c1
BDBM50113239 CCCn1c2nc(-c3ccccc3)n(CCCl)c2c(=O)n(CCC)c1=O
BDBM50113235 Cn1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
BDBM50113246 Cn1c2ncn(CCCCCl)c2c(=O)n(C)c1=O
BDBM50112193 Cc1ccc(cc1C)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50112195 CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50110966 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1
BDBM50110967 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)C(O)=O
BDBM50110968 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
BDBM50110969 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Br)cc1
BDBM50110971 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1
BDBM50110973 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC)CC2)cc1
BDBM50110974 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S([O-])(=O)=O
BDBM50110975 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(I)cc1
BDBM50110977 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2OC)cc1
BDBM50110978 Brc1ccc(cc1)-c1nc2[nH]c(=O)n(CC#C)c(=O)c2[nH]1
BDBM50110979 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)OC)cc1
BDBM50110980 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1
BDBM50110981 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
BDBM50110982 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1
BDBM50110983 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(C)=O)cc1
BDBM50110984 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)cc1
BDBM50110985 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
BDBM50110986 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NCCN)cc1
BDBM50110990 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
BDBM50110991 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCC)cc1
BDBM50110992 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
BDBM50115630 CCNC(=O)[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
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
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|
BDBM50119136 CCCCCCCCCCn1cc(cn1)-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
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
BDBM50119144 COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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
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
BDBM50119153 CCCC\C=C\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
BDBM50119157 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCc2ccccc2)c1
BDBM50119158 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCO)c1
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
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
BDBM50118810 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50118811 CCCCn1c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O
BDBM50118812 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
BDBM50118807 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50116456 CCC1CN2C(=N1)c1c(nc(-c3ccccc3)n1C)N(C)C2=O |c:5|
BDBM50116457 CN1c2ncn(C)c2C2=NCCCN2C1=O |t:9|
BDBM50116458 Cn1c(nc2NC(=O)N3CCN=C3c12)-c1ccccc1 |c:11|
BDBM50116460 CN1c2ncn(C)c2\C2=N\CCCCCN2C1=O |t:9|
BDBM50116462 CCC1CN2C(=N1)c1c(ncn1C)N(C)C2=O |c:5|
BDBM50116463 Cn1cnc2NC(=O)N3CCN=C3c12 |c:11|
BDBM50116464 CC1CN=C2N1C(=O)N(C)c1ncn(C)c21 |c:3|
BDBM50116465 CN1c2ncn(C)c2C2=NCCCCN2C1=O |t:9|
BDBM50116466 Cn1cnc2N(Cc3ccccc3)C(=O)N3CCN=C3c12 |c:19|
BDBM50116467 CN1c2nc(-c3ccccc3)n(C)c2C2=NCCN2C1=O |t:16|
BDBM50117108 Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
BDBM50116468 CN1c2nc(Cl)n(C)c2C2=NCCCN2C1=O |t:10|
BDBM50116469 CCC1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
BDBM50116470 CN1c2ncn(C)c2C2=NCCN2C1=O |t:9|
BDBM50124119 CNC(=O)C1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50124120 CNc1nc(Cl)nc2n(cnc12)C1OC(CO)C(F)C1O
BDBM50124121 OCC1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
BDBM50135288 Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
BDBM50139713 COc1cccc(c1)-c1nnc(Cc2ccc(C)c(C)c2)[nH]1
BDBM50139868 Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50139869 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
BDBM50139870 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
BDBM50139871 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50139872 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
BDBM50139873 Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50139874 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50139875 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50139876 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
BDBM50139877 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
BDBM50139878 Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
BDBM50139879 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
BDBM50139718 COc1cccc(c1)-c1nnc(Cc2ccc3ccccc3c2)[nH]1
BDBM50139719 COc1cccc(c1)-c1nnc(Cc2cccc(Br)c2)[nH]1
BDBM50139723 COc1cccc(c1)-c1nnc(Cc2cccc(F)c2F)[nH]1
BDBM50138545 C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50144902 COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2cnc[nH]2)[C@@H](CSC)O[C@H]1n1cnc2c(N)ncnc12 |w:20.21,3.3|
BDBM50144945 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
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
BDBM50151171 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3nc2Cl)CC1
BDBM50151172 Cc1ncc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)[nH]1
BDBM50151173 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2csnn2)CC1
BDBM50151174 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc3ccccc3c2)CC1
BDBM50151175 Cc1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50151176 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCCc2ccccc2)CC1
BDBM50151177 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccnc2)CC1
BDBM50151178 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccncc2)CC1
BDBM50151179 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1
BDBM50151180 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccnc3ccccc23)CC1
BDBM50151181 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)ccc(F)c2F)CC1
BDBM50151182 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1
BDBM50151183 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2)CC1
BDBM50151184 Cn1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1
BDBM50151185 COc1ccccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50151186 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)ccc(F)c2F)CC1
BDBM50151187 Cc1ncccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50151188 Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F
BDBM50151189 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)cncc2Cl)CC1
BDBM50151190 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)ccc(Cl)c2F)CC1
BDBM50151191 Cc1ccnc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50151192 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cc3ccccc3o2)CC1
BDBM50151193 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
BDBM50151194 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cscn2)CC1
BDBM50151195 Cc1noc(C)c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50151196 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccc2Cl)CC1
BDBM50151197 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)c1ccccc1
BDBM50151198 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cccc2F)CC1
BDBM50151199 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccccn2)CC1
BDBM50151200 Cc1nc[nH]c1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50151201 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cccc(Cl)c2)CC1
BDBM50151202 CSc1sccc1CN1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50151203 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCc2ccccc2)CC1
BDBM50151204 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccco2)CC1
BDBM50151205 Cc1ccc2nc(Cl)c(CN3CCN(CC3)c3nc(N)n4nc(nc4n3)-c3ccco3)cc2c1
BDBM50151206 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCNCC1
BDBM50151207 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccc3ccccc3n2)CC1
BDBM50151208 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(Cl)ccc(Cl)c2Cl)CC1
BDBM50151209 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2cnc[nH]2)CC1
BDBM50151210 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2ccsc2)CC1
BDBM50152207 Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cccc2Cl)nc2nc(nn12)-c1ccco1
BDBM50152208 Nc1nc(NC[C@H]2CCCN2Cc2ccncc2)nc2nc(nn12)-c1ccco1
BDBM50152209 Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)cc2nc(nn12)-c1ccco1
BDBM50152210 Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cccc2Cl)cc2nc(nn12)-c1ccco1
BDBM50152211 Nc1nc(NC[C@H]2CCCN2Cc2ccncc2)cc2nc(nn12)-c1ccco1
BDBM50152212 Cc1cc(CN2CCC[C@@H]2CNc2cc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50152213 CN(C[C@H]1CCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50152214 CN(C[C@H]1CCCN1Cc1cc(C)on1)c1cc(N)n2nc(nc2n1)-c1ccco1
BDBM50152215 Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1
BDBM50152216 Nc1nc(NC[C@H]2CCCN2Cc2ccccc2F)cc2nc(nn12)-c1ccco1
BDBM50152217 Cc1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50152218 Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(nn12)-c1ccco1
BDBM50152219 Nc1cc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1
BDBM50152220 Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)cc2nc(nn12)-c1ccco1
BDBM50152221 Cc1cc(CN2CCC[C@@H]2CNc2cc3nc(nn3c(N)n2)-c2ccco2)no1
BDBM50152222 Nc1nc(NC[C@H]2CCCN2Cc2ccccc2F)nc2nc(nn12)-c1ccco1
BDBM50152223 Nc1cc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(nn12)-c1ccco1
BDBM50152224 Nc1nc(NC[C@H]2CCCN2Cc2ccccc2Cl)nc2nc(nn12)-c1ccco1
BDBM50152225 CN(C[C@H]1CCCN1Cc1cc(C)on1)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50152226 Nc1cc(NC[C@H]2CCCN2Cc2ccccc2Cl)nc2nc(nn12)-c1ccco1
BDBM50152227 Nc1cc(NC[C@H]2CCCN2Cc2ccccc2F)nc2nc(nn12)-c1ccco1
BDBM50152228 Nc1nc(NC[C@H]2CCCN2Cc2ccccc2Cl)cc2nc(nn12)-c1ccco1
BDBM50152229 Nc1cc(NC[C@H]2CCCN2Cc2c(Cl)cccc2Cl)nc2nc(nn12)-c1ccco1
BDBM50152230 Nc1cc(NC[C@H]2CCCN2Cc2ccncc2)nc2nc(nn12)-c1ccco1
BDBM50152231 Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1
BDBM50152232 Nc1nc(NCCN2CCN(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50152233 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50152234 Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50152235 Nc1nc(NCCCN2CCN(CC2)c2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50152236 Nc1nc(NCCN2CCN(CC2)c2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50152237 Nc1nc(NCCCN2CCN(CC2)c2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50152238 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CC1)c1c(F)cc(F)cc1F
BDBM50152239 Nc1nc(NCCN2CCN(CC2)c2c(F)cc(F)cc2F)cc2nc(nn12)-c1ccco1
BDBM50152240 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50152241 Nc1nc(NCCCN2CCN(CC2)c2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50152242 CN(CCN1CCN(CC1)c1c(F)cc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50152243 CN(CCN1CCN(CC1)c1ccccc1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50156668 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cc4ccccc4cn3)CC[C@H]2C1 |r|
BDBM50156622 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNc3ncccn3)CC[C@H]2C1 |r|
BDBM50156623 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccco3)Cc3ccco3)CC[C@H]2C1 |r|
BDBM50156624 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CN(Cc3cccnc3)Cc3cccnc3)CC[C@H]2C1 |r|
BDBM50156625 COC(=O)c1nc(Cl)c(nc1N)N1CCN2C[C@H](CNc3nc(N)n4nc(nc4n3)-c3ccco3)CC[C@@H]2C1 |r|
BDBM50156626 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2CCC[C@H]2C1 |r|
BDBM50156627 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccn3)CC[C@H]2C1 |r|
BDBM50156628 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCC[C@@H]2C1 |r|
BDBM50156629 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ncnc4ccccc34)CC[C@H]2C1 |r|
BDBM50156630 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccc4[nH]ccc4c3)CCC[C@H]2C1 |r|
BDBM50156631 Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)cc2nc(nn12)-c1ccco1 |r|
BDBM50156632 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
BDBM50156633 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc4cnccc34)CC[C@H]2C1 |r|
BDBM50156634 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccc(F)cc3F)Cc3ccc(F)cc3F)CC[C@H]2C1 |r|
BDBM50156635 NC[C@@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r|
BDBM50156636 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CO)CC[C@H]2C1 |r|
BDBM50156637 Nc1nc(NC[C@H]2CC[C@@H]3CN(CCN3C2)c2ncccn2)nc2nc(nn12)-c1ccco1 |r|
BDBM50156638 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3F)CC[C@H]2C1 |r|
BDBM50156639 Cn1nc(c(CN2CCN3C[C@@H](CNc4nc(N)n5nc(nc5n4)-c4ccco4)CC[C@@H]3C2)c1Cl)C(F)(F)F |r|
BDBM50156640 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc(F)cc3)CC[C@H]2C1 |r|
BDBM50156641 COc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2nc(N)n3nc(nc3n2)-c2ccco2)cc1 |r|
BDBM50156643 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccc4ccccc4n3)CC[C@H]2C1 |r|
BDBM50156644 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccncc3)Cc3ccncc3)CC[C@H]2C1 |r|
BDBM50156645 NC[C@H]1CC[C@H]2CN(CCN2C1)c1cc(N)n2nc(nc2n1)-c1ccco1 |r|
BDBM50156646 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc4ncccc4c3)CC[C@H]2C1 |r|
BDBM50156647 Cc1nn(C)c(Cl)c1CNC[C@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r|
BDBM50156648 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CO)CC[C@H]2C1 |r|
BDBM50156649 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CNc3ncccn3)CC[C@H]2C1 |r|
BDBM50156650 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3cccnc3)Cc3cccnc3)CC[C@H]2C1 |r|
BDBM50156651 Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)nc2nc(nn12)-c1ccco1 |r|
BDBM50156652 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3cncn3)CC[C@H]2C1 |r|
BDBM50156653 NC[C@@H]1CC[C@H]2CN(CCN2C1)c1cc(N)n2nc(nc2n1)-c1ccco1 |r|
BDBM50156654 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3cccnc3)CCC[C@H]2C1 |r|
BDBM50156655 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3cccc(F)c3)CC[C@H]2C1 |r|
BDBM50156656 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](CO)CC[C@H]2C1 |r|
BDBM50156657 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3cccnc3)CC[C@H]2C1 |r|
BDBM50156658 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3ccncc3)CC[C@H]2C1 |r|
BDBM50156659 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3cnnn3)CC[C@H]2C1 |r|
BDBM50156660 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNCc3ccc(F)cc3F)CC[C@H]2C1 |r|
BDBM50156661 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccccn3)CC[C@H]2C1 |r|
BDBM50156662 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r|
BDBM50156663 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3)CC[C@H]2C1 |r|
BDBM50156664 Nc1nc(nc2nc(nn12)-c1ccco1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 |r|
BDBM50156665 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2CCC[C@H]2C1 |r|
BDBM50156666 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccccc3)CC[C@H]2C1 |r|
BDBM50156667 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccccn3)Cc3ccccn3)CC[C@H]2C1 |r|
BDBM50156595 Nc1nc(NC[C@@H]2CC[C@@H]3CN(CCN3C2)c2ncccn2)nc2nc(nn12)-c1ccco1 |r|
BDBM50156596 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r|
BDBM50156597 NC[C@H]1CC[C@H]2CN(CCN2C1)c1cc2nc(nn2c(N)n1)-c1ccco1 |r|
BDBM50156598 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1
BDBM50156599 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccccc3)CCC[C@H]2C1 |r|
BDBM50156600 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccncc3)CC[C@H]2C1 |r|
BDBM50156601 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](CO)CCC[C@H]2C1 |r|
BDBM50156602 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccccc3)CC[C@H]2C1 |r|
BDBM50156603 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3cc4ccccc4cn3)CC[C@H]2C1 |r|
BDBM50156604 Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(nn12)-c1ccco1
BDBM50156605 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](Cn3ccnc3)CC[C@H]2C1 |r|
BDBM50156606 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccnc3)CC[C@H]2C1 |r|
BDBM50156607 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccc(F)cc3F)CC[C@H]2C1 |r|
BDBM50156608 COc1ccc(OC[C@H]2CC[C@H]3CN(CCN3C2)c2nc(N)n3nc(nc3n2)-c2ccco2)cc1 |r|
BDBM50156609 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ccncc3)CC[C@H]2C1 |r|
BDBM50156610 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4ccccc34)CC[C@H]2C1 |r|
BDBM50156611 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
BDBM50156612 NC[C@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1 |r|
BDBM50156613 Cc1nn(C)c(Cl)c1CN(C[C@H]1CC[C@H]2CN(CCN2C1)c1nc(N)n2nc(nc2n1)-c1ccco1)Cc1c(C)nn(C)c1Cl |r|
BDBM50156614 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2[C@@H](COc3ccc4cccnc4c3)CCC[C@H]2C1 |r|
BDBM50156615 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3cccc4cnccc34)CC[C@H]2C1 |r|
BDBM50156616 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3cccc(F)c3)CC[C@H]2C1 |r|
BDBM50156617 Nc1nc(NC[C@@H]2CC[C@@H]3CN(CCN3C2)c2cc(F)cc(F)c2)nc2nc(nn12)-c1ccco1 |r|
BDBM50156618 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CNc3ncccn3)CC[C@H]2C1 |r|
BDBM50156619 Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CO)CC[C@H]2C1 |r|
BDBM50156620 Nc1cc(nc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1
BDBM50156621 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2CCCCC2C1
BDBM50159727 Nc1nc(cn2nc(nc12)-c1ccco1)C#CCO
BDBM50159710 Nc1nc(cn2nc(nc12)-c1ccco1)C#CCOc1ccccc1
BDBM50159711 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)C1(O)CCC1
BDBM50159712 CC(C)CCC(C)(O)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50159713 CC(O)(Cc1ccncc1)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50159714 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)c1ccccc1
BDBM50159715 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccncc1
BDBM50159716 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccc(cc1)[N+]1=CC=NC1 |c:32,t:30|
BDBM50159717 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)C1(O)CCCCC1
BDBM50159719 CCC(O)(CC)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50159720 CC(C)C(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)C(C)C
BDBM50159722 CC(OC(C)(C)C)C#Cc1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50159723 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1cccc(c1F)C(F)(F)F
BDBM50159724 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)C1(O)CCCC1
BDBM50159726 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)c1csc2ccccc12
BDBM50159728 Nc1nc(cn2nc(nc12)-c1ccco1)C#CCC1CCCCC1
BDBM50159729 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccc(O)cc1
BDBM50159730 Nc1nc(cn2nc(nc12)-c1ccco1)C#CCOc1cccnc1
BDBM50159731 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC(O)(c1ccccc1)C(F)(F)F
BDBM50159732 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1ccccc1
BDBM50159733 CC(O)(C#Cc1cn2nc(nc2c(N)n1)-c1ccco1)c1csc2ccccc12
BDBM50159734 Nc1nc(cn2nc(nc12)-c1ccco1)C#CC1(N)CCCCC1
BDBM50159735 Nc1nc(cn2nc(nc12)-c1ccco1)C#Cc1ccc(F)cc1F
BDBM50163010 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)ncnc12
BDBM50163015 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12
BDBM50163564 CCCn1c(=O)n(Cc2ccccc2)c2nc([nH]c2c1=O)C1CCCC1
BDBM50163394 Cc1cc(CN2CCC(CNc3nc(N)n4nc(nc4n3)-c3ccco3)CC2)no1
BDBM50163395 Nc1nc(NC[C@H]2CCCN2Cc2cc(Cl)cc(Cl)c2)nc2nc(nn12)-c1ccco1
BDBM50163396 Nc1nc(NC[C@H]2CCCN2Cc2c(F)c(Cl)ccc2C(F)(F)F)nc2nc(nn12)-c1ccco1
BDBM50163397 Cc1cc(CN2C[C@H]3C[C@@H]2CN3c2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50163398 Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2)nc2nc(nn12)-c1ccco1
BDBM50163399 Nc1nc(NC[C@H]2CCCN2Cc2ccc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50163400 Cc1cc(CNCCCNc2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50163401 Cn1cc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c(Cl)n1
BDBM50163402 Nc1nc(NC[C@H]2CCCN2Cc2cc(ccc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1
BDBM50163403 Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2Cl)nc2nc(nn12)-c1ccco1
BDBM50163404 Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2Cl)nc2nc(nn12)-c1ccco1
BDBM50163405 CN(CCNc1nc(N)n2nc(nc2n1)-c1ccco1)Cc1cc(C)on1
BDBM50163406 Nc1nc(NC[C@H]2CCCN2Cc2ccc3ccccc3n2)nc2nc(nn12)-c1ccco1
BDBM50163407 Nc1nc(NC[C@H]2CCCN2Cc2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50163408 Cc1cccc(CN2CCC[C@@H]2CNc2nc(N)n3nc(nc3n2)-c2ccco2)c1
BDBM50163409 Nc1nc(NC[C@H]2CCCN2Cc2cc(F)ccc2F)nc2nc(nn12)-c1ccco1
BDBM50163410 Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2F)nc2nc(nn12)-c1ccco1
BDBM50163412 Nc1nc(NC[C@H]2CCCN2Cc2cc(F)c(F)cc2F)nc2nc(nn12)-c1ccco1
BDBM50163413 Cc1cc(CN2CC[C@@H](C2)Nc2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50163414 Nc1nc(NC[C@H]2CCCN2Cc2cc(F)cc(F)c2)nc2nc(nn12)-c1ccco1
BDBM50163415 CN(C[C@H]1CCCCN1Cc1cc(C)on1)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50163416 Nc1nc(NC[C@H]2CCCN2Cc2ccccn2)nc2nc(nn12)-c1ccco1
BDBM50163417 Nc1nc(NC[C@H]2CCCN2Cc2ccco2)nc2nc(nn12)-c1ccco1
BDBM50163418 Cc1cc(CN2CCC(CC2)Nc2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50163419 Cc1cc(CN2CCCC(CNc3nc(N)n4nc(nc4n3)-c3ccco3)C2)no1
BDBM50163420 Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2F)nc2nc(nn12)-c1ccco1
BDBM50163421 Cc1noc(C)c1CN1CCC[C@@H]1CNc1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50163422 Nc1nc(NC[C@H]2CCCN2Cc2ccc(cc2F)C(F)(F)F)nc2nc(nn12)-c1ccco1
BDBM50163423 Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2F)nc2nc(nn12)-c1ccco1
BDBM50163424 Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)cc2)nc2nc(nn12)-c1ccco1
BDBM50163425 Nc1nc(NC[C@H]2CCCN2Cc2cccnc2)nc2nc(nn12)-c1ccco1
BDBM50163426 Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(nn12)-c1ccco1
BDBM50163427 CN(Cc1cc(C)on1)[C@H]1CCCC[C@@H]1N(C)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50163428 Cc1cc(CNCCNc2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50163429 Cc1cc(CN2CCCC(C2)Nc2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50163431 Nc1nc(NC[C@H]2CCCN2Cc2cccc(F)c2)nc2nc(nn12)-c1ccco1
BDBM50163432 Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(nn12)-c1ccco1
BDBM50163433 Cc1cc(CN2CCCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50163434 Cc1cc(CNCC(C)(C)CNc2nc(N)n3nc(nc3n2)-c2ccco2)no1
BDBM50163435 CN(CCN(C)c1nc(N)n2nc(nc2n1)-c1ccco1)Cc1cc(C)on1
BDBM50169332 COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(Cl)c1
BDBM50169333 COc1ccc(-c2cc3nc(nn3c(N)n2)-c2ccco2)c(OC)c1OC
BDBM50169334 COc1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169335 COCCOc1cc(F)c(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(F)c1
BDBM50169336 CC(C)c1ccc(cc1)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169337 COCCOc1ccc(cc1)C1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50169338 COc1ccccc1-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169339 CN(CCc1ccccc1)Cc1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169300 Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccnc1
BDBM50169301 Nc1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169302 COc1cccc(-c2cc3nc(nn3c(N)n2)-c2ccco2)c1OC
BDBM50169303 Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(c1)-c1ccccc1
BDBM50169304 COCCOc1ccc(cc1OC)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50169305 COc1ccc(cc1)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169306 COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(c1)C#N
BDBM50169307 Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccccc1
BDBM50169308 COc1ccc(cc1OC)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169309 COc1ccc(c(OC)c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169310 Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(c1)C#N
BDBM50169311 Cc1ccccc1-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169312 COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(F)c1
BDBM50169313 Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCN(CC2)c2nccs2)c1
BDBM50169314 Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccccn1
BDBM50169316 Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCN(CC2)c2ccccc2)c1
BDBM50169317 Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CO)c1
BDBM50169318 Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccncc1
BDBM50169319 COc1ccc(OC)c(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169315 Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccs1
BDBM50169320 Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCC(CC2)c2ccc(F)cc2)c1
BDBM50169321 Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCC(CC2)c2ccccc2)c1
BDBM50169322 Cc1cccc(c1)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169323 COCCOc1ccc(cc1)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50169324 COCCOc1cccc(c1)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50169325 Nc1nc(cc2nc(nn12)-c1ccco1)-c1cccc(CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)c1
BDBM50169326 COCCOc1c(F)cc(cc1F)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50169327 Cc1ccc(cc1)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169328 COCCOc1ccc(cc1C#N)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
BDBM50169329 COc1cccc(OC)c1-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169330 COc1cc(cc(OC)c1OC)-c1cc2nc(nn2c(N)n1)-c1ccco1
BDBM50169331 COCCOc1ccc(N2CCN(Cc3cccc(c3)-c3cc4nc(nn4c(N)n3)-c3ccco3)CC2)c(C)c1
BDBM50173174 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C#N
BDBM50173175 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1
BDBM50173176 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCc1ccc(O)cc1
BDBM50173177 CN(C)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173178 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc2ccccc12
BDBM50173179 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(CC1)c1ccncc1
BDBM50173180 NC(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173203 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccco1
BDBM50173181 CC(C)NC(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173182 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCCc1ccccc1
BDBM50173183 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)NCCCn1ccnc1
BDBM50173184 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cncnc1
BDBM50173185 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCOCC1
BDBM50173186 CCCCNC(=O)c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173187 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCOCC1
BDBM50173188 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)N1CCOCC1
BDBM50173189 CCN(CC)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173190 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)NCCc1ccc(O)cc1
BDBM50173191 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C#N
BDBM50173192 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)NCCc1ccc(O)cc1
BDBM50173193 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(CC1)c1ccncc1
BDBM50173194 CN(C)c1ccc(cc1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173195 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccnc1
BDBM50173196 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(Cc2ccccc2)CC1
BDBM50173197 CC(=O)Nc1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173198 Nc1ccc(cc1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173199 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(CO)cc1
BDBM50173200 CN(Cc1ccccc1)C(=O)c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173201 Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCc1ccccc1
BDBM50173202 CC(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173204 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(F)(F)F
BDBM50173205 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(O)=O
BDBM50173206 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)[N+]([O-])=O
BDBM50173207 CCOC(=O)c1ccc(cc1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173208 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(CO)c1
BDBM50173209 CC(C)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173210 CS(=O)(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173211 COc1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173212 CN(C)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173213 CCOC(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173214 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(F)(F)F
BDBM50173215 Nc1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1
BDBM50173216 Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)[N+]([O-])=O
BDBM50173217 Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc2cccnc12
BDBM50176050 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
BDBM50179053 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3)ncnc12
BDBM50179022 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(Cl)nc12
BDBM50179023 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccccc3)ncnc12
BDBM50179024 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(OC)cc3)ncnc12
BDBM50179025 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(cc3)-c3ccccc3)ncnc12
BDBM50179026 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@@H](C)c3ccccc3)ncnc12
BDBM50179027 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(C)=O)ncnc12
BDBM50179028 CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50179033 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3Cl)ncnc12
BDBM50179034 CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
BDBM50179035 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1ccc(Cl)cn1
BDBM50179037 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccccc3)ncnc12
BDBM50179038 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Cc3ccc(Cl)cc3Cl)ncnc12
BDBM50179039 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12
BDBM50179040 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3nncs3)ncnc12
BDBM50179041 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(Cl)nc12
BDBM50179042 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccco3)ncnc12
BDBM50179043 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(I)nc12
BDBM50179045 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1
BDBM50179046 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccc(OC)c(OC)c3)ncnc12
BDBM50179047 CCCOc1ccc(NC(=O)Nc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1
BDBM50179048 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)ncnc12
BDBM50179049 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CCCCc1ccccc1
BDBM50179050 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(I)nc12
BDBM50179051 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@H](C)c3ccccc3)ncnc12
BDBM50179052 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O
BDBM50190699 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
BDBM50190700 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
BDBM50190701 CC(C)NS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50190702 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
BDBM50190703 CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1
BDBM50190704 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
BDBM50190705 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O
BDBM50190706 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
BDBM50190707 CCCCNS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50190708 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O
BDBM50190709 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
BDBM50190710 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50194153 Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
BDBM50199269 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCC(O)=O)(CC1)CC2
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|
BDBM50199288 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CC(O)=O)(CC1)CC2
BDBM50199289 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
BDBM50199290 CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2
BDBM50199293 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2
BDBM50202986 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
BDBM50205705 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
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
BDBM50208792 Nc1nc(OCCCCc2ccccc2)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
BDBM50207816 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
BDBM50208945 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(O)cc3)ncnc12 |r|
BDBM50208946 Oc1ccc(CSCc2ccc(O)cc2)cc1
BDBM50212797 CCCn1c2nc3N(Cc4cccc(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212798 COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
BDBM50212799 Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50212800 CCCn1c2nc3N(Cc4ccc(C)cc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212801 CCCn1c2nc3N(Cc4ccccc4Cl)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212802 COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50212803 Cn1c2nc3N(Cc4ccccc4Cl)CCCn3c2c(=O)n(C)c1=O
BDBM50212804 Cn1c2nc3N(Cc4ccccn4)CCCn3c2c(=O)n(C)c1=O
BDBM50212805 CCCn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212806 CCCn1c2nc3N(Cc4ccc(F)cc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212807 CCCn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50212808 COc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1
BDBM50212809 Cc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50212810 Cn1c2nc3N(Cc4ccco4)CCCn3c2c(=O)n(C)c1=O
BDBM50212811 CC(N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21)c1ccccc1 |w:1.0|
BDBM50212812 Cn1c2nc3N(Cc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50212813 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C(c1ccccc1)c1ccccc1
BDBM50212814 Cn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50212815 Cn1c2nc3N(Cc4ccc(Cl)cc4Cl)CCCn3c2c(=O)n(C)c1=O
BDBM50212816 Cn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
BDBM50214817 NNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50221679 Cn1c2nc3N(CCOC(=O)Nc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221680 CCCn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(CCC)c1=O
BDBM50221681 Cn1c2nc3N(CCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221682 Cn1c2nc3N(CCCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221683 Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221684 CC(=O)Nc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50221685 Cn1c2nc3N(CCOCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221686 Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221687 CC(=O)OC(CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21)c1ccccc1 |w:4.4|
BDBM50221688 Cn1c2nc3N(CCOC(=O)Nc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
BDBM50221689 CC(C(OC(C)=O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0|
BDBM50221690 Cn1c2nc3N(CCOC\C=C\c4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221691 Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
BDBM50221692 Cn1c2nc3N(CCOC(=O)Nc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221693 Cc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50221694 CCCn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50221695 Cn1c2nc3N(CC(O)c4ccccc4)CCCn3c2c(=O)n(C)c1=O |w:7.7|
BDBM50221696 Cn1c2nc3N(CCNCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221697 Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221698 Cn1c2nc3N(CCOCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221699 Cn1c2nc3N(CCc4ccccn4)CCCn3c2c(=O)n(C)c1=O
BDBM50221700 CC(C(O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0|
BDBM50221701 CCCn1c2nc3N(CCc4ccc(OC)c(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
BDBM50221702 Cn1c2nc3N(CCOc4ccc(Cl)cc4Cl)CCCn3c2c(=O)n(C)c1=O
BDBM50221703 COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
BDBM50221704 COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
BDBM50221705 Cn1c2nc3N(CCOCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50221706 Cn1c2nc3N(CCNCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
BDBM50241166 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50237064 CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
BDBM50264669 CCn1c(\C=C\C=C\c2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
BDBM50264554 CCN1C2N=C(C=Cc3ccc(OC)c(OC)c3)N(C)C2C(=O)N(CC)C1=O |w:6.5,t:4|
BDBM50264556 CN1C2C(N=C1C=Cc1cccc(Cl)c1)N(C)C(=O)N(C)C2=O |w:6.6,c:4|
BDBM50264585 Cn1c(\C=C\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50264622 Cn1c(\C=C\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50264623 Cn1c(\C=C\C=C\c2cccc(F)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50264624 Cn1c(\C=C\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50264625 CCn1c(\C=C\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50264626 CCn1c2nc(\C=C\C=C\c3ccccc3)n(C)c2c(=O)n(CC)c1=O
BDBM50241447 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r|
BDBM50268108 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
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
BDBM50268129 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
BDBM50268130 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1
BDBM50268131 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
BDBM50268132 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
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
BDBM50268163 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
BDBM50268164 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1
BDBM50268165 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)C(F)(F)F)CC1
BDBM50266416 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50267393 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r|
BDBM50268180 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1
BDBM50268181 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1
BDBM50268182 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(OC)cc2)CC1
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
BDBM50268085 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)NCCO)cc1
BDBM50268231 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
BDBM50268232 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
BDBM50268233 Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CC#C)c(=O)c2[nH]1
BDBM50268234 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
BDBM50268245 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
BDBM50268246 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
BDBM50268247 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
BDBM50268248 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM50268256 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM50268257 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50281137 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12
BDBM50281138 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12
BDBM50285552 CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1
BDBM50285553 CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1
BDBM50285554 NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1
BDBM50285555 NC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1
BDBM50283526 Nc1nc2n(Cc3cccc(F)c3)nnc2c2nc(nn12)-c1ccco1
BDBM50283527 Nc1nc2n(Cc3ccccc3F)nnc2c2nc(nn12)-c1ccco1
BDBM50283528 Nc1nc2n(CCc3ccccc3)nnc2c2nc(nn12)-c1ccco1
BDBM50283529 Nc1nc2n(Cc3ccccc3)nnc2c2nc(nn12)-c1ccco1
BDBM50283530 CC(C)CCn1ncc2c1nc(N)n1nc(nc21)-c1ccco1
BDBM50283531 Nc1nc2n(Cc3ccc(F)cc3)nnc2c2nc(nn12)-c1ccco1
BDBM50283532 Nc1nc2nn(Cc3ccc(F)cc3)nc2c2nc(nn12)-c1ccco1
BDBM50290165 CCn1c2nc(\C=C\c3ccc(OC)c(C)c3OC)n(C)c2c(=O)n(CC)c1=O
BDBM50290166 CCCn1c2nc(\C=C\c3ccc(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50290167 CCn1c2nc(\C=C\c3ccc(OC)c(C)c3C)n(C)c2c(=O)n(CC)c1=O
BDBM50290168 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3OC)n(C)c2c(=O)n(CC)c1=O
BDBM50290169 CCCn1c2nc(\C=C\c3ccc(OC)c(C)c3C)n(C)c2c(=O)n(CCC)c1=O
BDBM50290170 CCCn1c2nc(\C=C\c3ccc(OC)c(C)c3OC)n(C)c2c(=O)n(CCC)c1=O
BDBM50290171 CCCn1c2nc(\C=C\c3cc(C)c(OC)cc3C)n(C)c2c(=O)n(CCC)c1=O
BDBM50290172 CCn1c2nc(\C=C\c3ccc(OC)cc3OC)n(C)c2c(=O)n(CC)c1=O
BDBM50290900 CC(Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@@H](O)c1ccccc1
BDBM50290902 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)ncnc12
BDBM50288747 CCCSc1nc(SC(CC)C(N)=O)nc2n(ncc12)-c1ccccc1
BDBM50275963 CN1CC[C@@H](C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
BDBM50275803 CN1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
BDBM50300871 Nc1nc(SCCC2OCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300872 Nc1nc(SCCC2COCCO2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300873 Nc1nc(SCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300874 Nc1nc(SCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300875 Nc1nc(SC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300876 Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300877 Nc1nc(SCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300878 CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50300879 Nc1nc(SCC#C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300880 Nc1nc(SCC=C)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300881 Nc1nc(SC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300882 CCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50308486 Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
BDBM50308487 O=C(Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1)c1ccco1
BDBM50308488 Cc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
BDBM50308489 Cc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
BDBM50308490 CS(=O)(=O)c1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50308491 Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50308493 COc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
BDBM50308494 O=C(Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1)c1ccccc1
BDBM50308495 CS(=O)(=O)c1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
BDBM50308496 Cc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
BDBM50308497 COc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
BDBM50308498 O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccccc1
BDBM50308499 CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
BDBM50308500 CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
BDBM50308501 CCOC(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
BDBM50308502 CNc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1
BDBM50308503 CNc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
BDBM50308504 CNc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
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,)|
BDBM50315604 CSc1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50315585 CSc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315586 CSc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315587 COc1ccc(CC(=O)Nc2nc(SC)nc3nc(nn23)-c2ccco2)cc1
BDBM50315588 CCCCCC(=O)Nc1nc(SC)nc2nc(nn12)-c1ccco1
BDBM50315589 CSc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315590 CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
BDBM50315591 O=C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)C(c1ccccc1)c1ccccc1
BDBM50315592 O=C(Cc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50315593 COc1ccc(CC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
BDBM50315594 CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50315595 O=C(Nc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50315596 Cc1ccc(NC(=O)Nc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1
BDBM50315597 CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315598 CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315599 COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
BDBM50315600 CCCCCC(=O)Nc1nc(nc2nc(nn12)-c1ccco1)N(C)C
BDBM50315601 CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1
BDBM50315602 CN(C)c1nc(NC(=O)Nc2ccc(C)cc2)n2nc(nc2n1)-c1ccco1
BDBM50315603 Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1
BDBM50316845 Cc1nc2sc3CCCCc3c2c(=O)n1CC#C
BDBM50316847 Cc1sc2nc(C)n(CC#C)c(=O)c2c1C
BDBM50316848 Cc1sc2nc(-c3ccccc3)n(CC#C)c(=O)c2c1C
BDBM50316849 Cc1sc2nc(Cc3ccc(F)cc3)n(CC#C)c(=O)c2c1C
BDBM50316850 Cc1nc2sc3CCCc3c2c(=O)n1CC#C
BDBM50316851 O=c1n(CC#C)c(nc2sc3CCCc3c12)-c1ccccc1
BDBM50315584 CN(C)c1nc(N)n2nc(nc2n1)-c1ccco1
BDBM50316843 C#CCOc1nc(nc2sc3CCCCc3c12)-c1ccccc1
BDBM50316846 Fc1ccc(Cc2nc3sc4CCCCc4c3c(=O)n2CC#C)cc1
BDBM50318493 COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10|
BDBM50318494 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|
BDBM50322849 [#6]-[#6]-[#8]-c1cccc2c(-[#6])nc(\[#7]=[#6](/[#7])-[#7])nc12
BDBM50322850 COc1ccc2c(C)nc(Nc3nc(O)c[nH]3)nc2c1
BDBM50336640 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
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|
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
BDBM50348174 CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
BDBM50364060 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCN)cc3)nc12 |r|
BDBM50364045 Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3|
BDBM50375533 CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
BDBM50366484 OC[C@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50366485 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(I)nc12 |r|
BDBM50366487 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(I)nc12 |r|
BDBM50366488 CC(C)C[C@H](CO)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50366489 OC[C@H](Cc1ccccc1)Nc1nc(I)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50366491 OC[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50366652 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nccc12 |r|
BDBM50367311 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r|
BDBM50367298 COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
BDBM50366572 OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14|
BDBM50366573 OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](CN3C=Nc12)c1ccccc1 |r,c:20,t:14|
BDBM50366576 OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@H](Cc4ccccc4)CN3C=Nc12 |r,c:28,t:14|
BDBM50366577 C[C@H]1N=C2N(C=Nc3c2ncn3C2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@@H]1c1ccccc1 |r,c:2,5|
BDBM50366578 OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2C3=N[C@@H](Cc4ccccc4)CN3C=Nc12 |r,c:28,t:14|
BDBM50369966 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(CC3)C(O)=O)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.94,;4.73,-7.31,;1.43,-5.94,;.57,-7.29,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.43,-.1,;7.43,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.01,;10.1,-7.78,;8.78,-7.01,;8.78,-5.48,;10.1,-9.32,;11.43,-10.09,;8.76,-10.08,;7.43,-3.17,;6.11,-2.41,)|
BDBM50369967 CCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369968 Nc1nc(OCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50369969 CCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369970 COc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
BDBM50369971 Nc1nc(OCCc2ccccc2Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50369972 Nc1nc(OCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50369973 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CN(C)CCc1ccccc1 |r|
BDBM50369974 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccc(CC(=O)OC)cc1 |r|
BDBM50369975 CCCOCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369976 Nc1nc(CO)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50369977 Nc1nc(OCCc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50369978 COc1cc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc(OC)c1OC |r|
BDBM50369979 Cc1ccccc1CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369980 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCc1ccccc1 |r|
BDBM50369981 CCOCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369982 CCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369983 CCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369984 CCC(CC)COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369985 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccccc1 |r|
BDBM50369987 COCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369988 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(CO)CC3)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.94,;4.73,-7.31,;1.43,-5.94,;.57,-7.31,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.43,-.1,;7.43,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.01,;10.1,-7.78,;10.1,-9.32,;11.43,-10.09,;8.78,-7.01,;8.78,-5.48,;7.43,-3.17,;6.11,-2.41,)|
BDBM50369989 CC(C)COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369990 CCC(CC)CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369991 CC(C)CCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369993 COc1ccccc1CCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369994 CC(C)Oc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369995 CCCOCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369996 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(CC3)C(=O)OC)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.94,;4.73,-7.31,;1.43,-5.94,;.57,-7.29,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.43,-.1,;7.43,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.01,;10.1,-7.78,;8.78,-7.01,;8.78,-5.48,;10.1,-9.32,;8.76,-10.08,;11.43,-10.09,;11.43,-11.62,;7.43,-3.17,;6.11,-2.41,)|
BDBM50369997 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccc(F)cc1 |r|
BDBM50369998 COc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1OC |r|
BDBM50369999 Nc1nc(CCO)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50370000 Cc1cccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |r|
BDBM50368908 CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O |r|
BDBM50368910 CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C(=O)c2ccccc2)c1=O |r|
BDBM50368911 CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=S |r|
BDBM50368913 CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O |r|
BDBM50370922 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](COc3ncnc4n[nH]cc34)CC[C@@H]2C1 |r|
BDBM50370129 CC[C@@H]1Cn2c(N1)c1nc(C=Cc3ccccc3)nc1n(C)c2=O |r,w:11.12|
BDBM50368489 Cc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:6.5|
BDBM50368914 CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2c(=O)n(CCCC)c1=O |r|
BDBM50368915 CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N(C)C)c2c(=O)n(CCCC)c1=O |r|
BDBM50368918 CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2c(=O)n(CCCC)c1=O |r|
BDBM50368920 CCCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCCC)c1=O |r|
BDBM50369167 CCCC\C=C/c1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r|
BDBM50369168 CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50369386 CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3Cl)ncnc12 |r|
BDBM50369495 CC(C)NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50369938 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C(O)C#C)[C@@H](O)[C@H]1O |r|
BDBM50370130 CC[C@H]1CN2C(=N1)c1c(ncn1C)N(C)C2=O |r,c:5|
BDBM50370131 C[C@@H]1CN=C2N1C(=O)N(C)c1ncn(C)c21 |r,c:3|
BDBM50370132 CC[C@@H]1CN2C(=N1)c1c(nc(-c3ccccc3)n1C)N(C)C2=O |r,c:5|
BDBM50370133 CC[C@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1 |r|
BDBM50370134 CC[C@H]1Cn2c(N1)c1nc(C=Cc3ccccc3)nc1n(C)c2=O |r,w:11.12|
BDBM50368994 CC(O)[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50369058 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ccnc12 |r|
BDBM50369061 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12 |r|
BDBM50369188 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(F)(F)F)ncnc12 |r|
BDBM50369193 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(c3)C(F)(F)F)ncnc12 |r|
BDBM50369627 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 |r|
BDBM50369633 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)nc(Cl)nc12 |r|
BDBM50369065 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ccnc12 |r|
BDBM50369388 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4cc(C)on4)cc3)ncnc12 |r|
BDBM50369084 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCOCC1 |r|
BDBM50370001 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(CC3CCC(COC(C)=O)CC3)nc12 |r,wU:5.4,wD:8.8,10.11,(-4.53,-5.43,;-3.37,-4.42,;-1.92,-4.92,;-.76,-3.92,;-1.05,-2.41,;.7,-4.42,;2.66,-3.45,;4.64,-4.42,;3.89,-5.95,;4.73,-7.3,;1.43,-5.95,;.57,-7.3,;4.66,-2.89,;3.76,-1.64,;4.66,-.4,;6.11,-.87,;7.44,-.1,;7.44,1.44,;8.78,-.87,;8.78,-2.41,;10.11,-3.17,;10.11,-4.71,;11.44,-5.47,;11.44,-7.02,;10.1,-7.78,;10.1,-9.32,;11.43,-10.09,;12.77,-9.32,;12.77,-7.78,;14.09,-10.09,;8.78,-7.01,;8.78,-5.48,;7.44,-3.17,;6.11,-2.41,)|
BDBM50370002 COc1cccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |r|
BDBM50370003 Nc1nc(OCCCCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50370004 Nc1nc(OCCC2CCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50370005 Nc1nc(OCCCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50370006 Nc1nc(Oc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50370007 Nc1nc(OCCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50370008 Nc1nc(OCCO)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50370009 CC[C@H](COc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1 |r|
BDBM50370010 Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r|
BDBM50370011 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CNCCc1ccc(CC(O)=O)cc1 |r|
BDBM50370012 CCCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50370013 CCCCCCOc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50368329 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCCC1 |r|
BDBM50368336 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCCC1 |r|
BDBM50368339 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC1CCCCC1 |r|
BDBM50368341 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCC1CCCC1 |r|
BDBM50369085 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(O)cc1 |r|
BDBM50369087 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1 |r|
BDBM50369088 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccs1 |r|
BDBM50369089 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1C=O |r|
BDBM50369090 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(=O)OC(C)(C)C)cc1 |r|
BDBM50369091 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCCCC1 |r|
BDBM50369092 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)[N+]([O-])=O |r|
BDBM50369093 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccncc1 |r|
BDBM50369094 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(N)cc1 |r|
BDBM50369095 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccc2ccccc12 |r|
BDBM50369096 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CC#N)cc1 |r|
BDBM50369097 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCc1ccccc1 |r|
BDBM50369098 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccc(C=O)c1 |r|
BDBM50369099 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCc1ccccc1 |r|
BDBM50369100 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCn1ccnc1 |r|
BDBM50369101 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(F)(F)F |r|
BDBM50369102 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1 |r|
BDBM50369103 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCN(C)CC1 |r|
BDBM50369104 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCSCC1 |r|
BDBM50369105 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(N)=O |r|
BDBM50369106 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(C)=O |r|
BDBM50369107 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(C=O)cc1 |r|
BDBM50369108 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(F)cc1 |r|
BDBM50369109 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1 |r|
BDBM50369110 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(C)cc1 |r|
BDBM50369111 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(OC)cc1 |r|
BDBM50369112 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccnc1 |r|
BDBM50369113 CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccn1 |r|
BDBM50370629 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1=CC(C)(C)N([O])C1(C)C |t:19,^1:23|
BDBM50370630 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C1CC(C)(C)N([O])C(C)(C)C1 |^1:23|
BDBM50370631 CCCn1c(=O)n(CC2=CC(C)(C)N([O])C2(C)C)c2[nH]c(nc2c1=O)C1CCCC1 |t:8,^1:14|
BDBM50370632 CCCc1c(O)c2[nH]c(nc2[nH]c1=O)-c1ccc(OCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1 |^1:29|
BDBM50368387 Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#C |r|
BDBM50368391 CCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50397715 CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccc(cc2)[N+]([O-])=O)=C(N=C1C)c1ccccc1 |c:30,32|
BDBM50397716 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3cccc(c3)C(F)(F)F)ncnc12 |r|
BDBM50397719 CCCOC(=O)c1c(CC)c(C(=O)SCCC)c(CC)nc1-c1cccc(Cl)c1
BDBM50397724 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4-c4ccccc34)ncnc12 |r|
BDBM50389794 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC(F)(F)F |r|
BDBM50389795 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCl |r|
BDBM50389796 CCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50389797 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
BDBM50389799 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCC1 |r|
BDBM50393876 O=C1NC(=O)c2cc(SCCc3ccccc3)ccc12
BDBM50393881 Fc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
BDBM50393884 O=C1NC(=O)c2cc(SCc3ccccc3)ccc12
BDBM50393199 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CC1
BDBM50393167 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20|
BDBM50393168 Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCC1
BDBM50393169 Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCC1
BDBM50393170 Cn1c2nc3N(CCC4=CCCCC4)CCn3c2c(=O)n(C)c1=O |t:8|
BDBM50393171 Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(9.82,-12.09,;9.82,-10.55,;11.15,-9.79,;12.61,-10.27,;13.51,-9.02,;14.98,-8.56,;14.99,-7.01,;13.53,-6.53,;12.61,-7.77,;11.15,-8.25,;9.82,-7.47,;9.82,-5.93,;8.49,-8.25,;7.15,-7.48,;8.49,-9.79,;7.16,-10.56,;16.31,-9.32,;16.31,-10.86,;17.63,-11.63,;18.97,-10.87,;20.3,-11.64,;18.97,-9.33,;17.64,-8.55,)|
BDBM50393172 Cn1c2nc3N(CC4CC4)CCCn3c2c(=O)n(C)c1=O
BDBM50393173 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCC1
BDBM50393174 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)|
BDBM50393175 CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r,wU:7.10,wD:4.3,(21.45,-4.6,;20.56,-3.34,;21.2,-1.94,;19.03,-3.48,;18.14,-2.22,;18.78,-.82,;17.89,.44,;16.36,.29,;15.72,-1.11,;16.6,-2.36,;15.47,1.56,;16.11,2.96,;15.21,4.22,;13.67,4.08,;13.03,2.67,;13.93,1.41,;13.03,.17,;11.57,.64,;10.24,-.12,;10.24,-1.66,;8.91,.65,;7.58,-.13,;8.91,2.18,;7.57,2.95,;10.24,2.96,;10.24,4.5,;11.57,2.18,)|
BDBM50393176 CC1CCCCC1N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
BDBM50393177 Cn1c2nc3N(CC4CCCCC4)CCCn3c2c(=O)n(C)c1=O
BDBM50393178 CC(C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
BDBM50393179 C[C@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r|
BDBM50393180 C[C@@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r|
BDBM50393181 Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O |t:8|
BDBM50393182 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCC1
BDBM50393183 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50393184 Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCC1
BDBM50393185 Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCC1
BDBM50393186 CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)|
BDBM50393187 CC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(18.08,-19.63,;17.5,-18.21,;15.98,-18,;15.39,-16.59,;16.33,-15.37,;17.86,-15.56,;18.44,-16.99,;15.75,-13.95,;16.79,-12.78,;16.52,-11.25,;15.16,-10.49,;13.73,-11.09,;13.3,-12.59,;14.19,-13.86,;13.29,-15.1,;11.82,-14.62,;10.5,-15.38,;10.5,-16.92,;9.17,-14.62,;7.84,-15.39,;9.17,-13.08,;7.83,-12.32,;10.5,-12.31,;10.5,-10.77,;11.82,-13.08,)|
BDBM50393188 CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)|
BDBM50393189 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
BDBM50393190 Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
BDBM50393191 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCC1
BDBM50393192 Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
BDBM50393193 Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC1
BDBM50393194 Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(27.9,-2.63,;27.9,-1.1,;29.23,-.34,;30.69,-.81,;31.59,.43,;33.15,.34,;34.19,1.5,;33.92,3.04,;32.56,3.8,;31.13,3.2,;30.7,1.7,;29.23,1.2,;27.9,1.98,;27.9,3.52,;26.57,1.2,;25.24,1.97,;26.57,-.33,;25.24,-1.11,;33.73,-1.08,;32.79,-2.3,;33.37,-3.72,;34.9,-3.93,;35.48,-5.35,;35.84,-2.71,;35.25,-1.28,)|
BDBM50393195 CC1CCCCC1N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
BDBM50393196 Cn1c2nc3N(CC4CCCCC4)CCCCn3c2c(=O)n(C)c1=O
BDBM50393197 Cn1c2nc3N(CCC4=CCCCC4)CCCCn3c2c(=O)n(C)c1=O |t:8|
BDBM50393198 Cn1c2nc3N(CC4CCCCC4)CCn3c2c(=O)n(C)c1=O
BDBM50385631 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O |r|
BDBM50385632 Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50385633 Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50385634 Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50407234 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(SC)nc12 |r|
BDBM50407530 Nc1cc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50406548 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12 |r|
BDBM50410670 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
BDBM50410691 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
BDBM50410718 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
BDBM50410646 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
BDBM50410663 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
BDBM50410667 COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
BDBM50426712 Nc1nc(NNCC(=O)[C@H](O)[C@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50426713 COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r,w:8.8|
BDBM50426714 Nc1nc(N=NCc2ccc(Cl)c(Cl)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3|
BDBM50426715 Nc1nc(N=NCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3|
BDBM50426716 CN(NC(=S)Nc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50426717 CN(NC(=O)Nc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50426718 CN(NC(CO)C(=O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50426719 CN(NCC(=O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50426720 CN(NCC(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50426721 CN(NCC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50426723 Nc1nc(NNC(CO)C(=O)[C@@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50426724 Nc1nc(NNCC(=O)[C@@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50426725 Nc1nc(NNCC(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50426727 COc1ccc(CN=Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1Cl |r,w:8.8|
BDBM50426728 Nc1nc(N=NCc2ccc(Cl)cc2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:4.3|
BDBM50425470 Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)C#Cc1ccccc1
BDBM50425477 Cn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50420978 Cn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50018679 CCCCCCC#Cc1nc(N)c2ncn(C)c2n1
BDBM50018680 CCCCCCC#Cc1nc(N)c2ncn(CC)c2n1
BDBM50018681 CCCCCCC#Cc1nc(N)c2ncn(CCC)c2n1
BDBM50018682 CCCCCCC#Cc1nc(N)c2ncn(CC=C)c2n1
BDBM50018683 CCCCCCC#Cc1nc(N)c2ncn(CC#C)c2n1
BDBM50018684 CCCCCCC#Cc1nc(N)c2ncn(CC#N)c2n1
BDBM50018685 CCCCCCC#Cc1nc(N)c2ncn(CCO)c2n1
BDBM50018686 CCCCCCC#Cc1nc(N)c2ncn(C3CCCC3)c2n1
BDBM50018687 CCCCCCC#Cc1nc(N)c2ncn(Cc3ccccc3)c2n1
BDBM50018688 CCCCCCC#Cc1nc(N)c2nc(Br)n(CC#C)c2n1
BDBM50018689 CCCCCCC#Cc1nc(N)c2nc(Cl)n(CC#C)c2n1
BDBM50018690 CCCCCCC#Cc1nc(N)c2nc(-c3ccccc3)n(CC#C)c2n1
BDBM50018691 CCCCCCC#Cc1nc(N)c2nc(-c3cccc(F)c3)n(CC#C)c2n1
BDBM50018692 CCCCCCC#Cc1nc(N)c2nc(-c3ccco3)n(CC#C)c2n1
BDBM50018693 CCCCCCC#Cc1nc(N)c2nc(-n3nccn3)n(CC#C)c2n1
BDBM50018694 Nc1nc(nc2n(CC#C)cnc12)C#CC1(O)CCCCC1
BDBM50018695 Nc1nc(nc2n(CC#C)c(Br)nc12)C#CC1(O)CCCCC1
BDBM50018696 Nc1nc(nc2n(CC#C)c(Cl)nc12)C#CC1(O)CCCCC1
BDBM50018697 Nc1nc(nc2n(CC#C)c(nc12)-c1ccco1)C#CC1(O)CCCCC1
BDBM50139767 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(c2n1)C(F)(F)F
BDBM50120822 CCn1c(CCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
BDBM50139653 Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1
BDBM50139748 Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1
BDBM50139751 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)ccc2n1
BDBM50139752 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Cl)c2n1
BDBM50139773 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1
BDBM50139837 COCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1
BDBM50139838 Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCN(CC2)c2ccccn2)c2cccc(F)c2n1
BDBM50139768 CSc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12
BDBM50139769 CS(=O)(=O)c1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12
BDBM50139771 COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12
BDBM50139830 COc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12
BDBM50139655 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(F)c2n1
BDBM50140277 CN(C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1)c1ccccc1
BDBM50140279 CC(C)N(C(C)C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
BDBM50140285 CCN(CC)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
BDBM50140286 CN(C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
BDBM50140307 Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCC2)c1)-c1ccccc1
BDBM50140312 Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1
BDBM50140314 CN1CCN(CC1)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
BDBM50140342 Nc1nc(cc(n1)-c1cccc(OC(=O)N2CCCCC2)c1)-c1ccccc1
BDBM50140343 Nc1nc(cc(n1)-c1cccc(OC(=O)N(c2ccccc2)c2ccccc2)c1)-c1ccccc1
BDBM50120819 Cn1c(CCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50120820 CCn1c(CCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50120821 CCn1c2nc(CCc3ccccc3)n(C)c2c(=O)n(CC)c1=O
BDBM1 CN(C)N\N=C1\N=CN=C1C(N)=O |c:6,8|