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465 SMILES Strings for Adrenergic receptor beta

Compound NameSMILES String
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7287 O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
BDBM16173 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM22165 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
BDBM25870 CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
BDBM25749 CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
BDBM25752 CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
BDBM25753 CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
BDBM25392 CC(C)NCC(O)c1ccc(O)c(O)c1
BDBM25755 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
BDBM25756 COCCc1ccc(OCC(O)CNC(C)C)cc1
BDBM25758 CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
BDBM25759 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
BDBM25761 CC(C)NCC(O)COc1cccc2ccccc12
BDBM25762 CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
BDBM25764 CC(C)NCC(O)COc1ccccc1CC=C
BDBM25768 CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
BDBM26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
BDBM29525 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
BDBM36024 C[NH2+]C[C@H](O)c1cccc(O)c1
BDBM35254 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
BDBM50773 COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
BDBM55121 NCCc1ccc(O)c(O)c1
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM82272 Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
BDBM81881 COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 |r|
BDBM81882 COc1ccccc1OCCNCC(O)c1ccc(C)c(c1)S(N)(=O)=O
BDBM81884 COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 |r|
BDBM81885 CC(C)(C)NCC(O)CSc1nc(cs1)-c1ccc(s1)C(N)=O
BDBM81886 CC(C)CNCC(O)COc1cccc2ccccc12
BDBM81887 COc1ccc(OC)c(c1)[C@@H](O)[C@H](C)NC(C)(C)C |r|
BDBM81818 NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
BDBM81819 NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
BDBM86194 NC(CS(O)=O)C(O)=O
BDBM86195 CSCCC(N)C(O)=O
BDBM86196 N[C@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM86197 N[C@H](CCS(O)=O)C(O)=O |r|
BDBM86198 N[C@H]1CCSC1=O |r|
BDBM86199 NC(CSSCC(N)C(O)=O)C(O)=O
BDBM86201 N[C@@H](CCS(O)=O)C(O)=O |r|
BDBM86202 NC(CCS)C(O)=O
BDBM86203 NC(CS)C(O)=O
BDBM86205 N[C@@H]1CCSC1=O |r|
BDBM86036 OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
BDBM84950 CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM84951 COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
BDBM84745 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
BDBM84978 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM84979 OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
BDBM85330 Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM86708 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
BDBM86694 ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
BDBM93102 OC(CON1C(=O)C2C3CC(C=C3)C2C1=O)CN1CCN(CC1)c1ccccc1 |c:11|
BDBM96235 CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
BDBM97162 C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1
BDBM50000496 Oc1ccc(cc1O)C1(O)CCCNC1
BDBM50000497 CC(C)N1CCCC(O)(C1)c1ccc(O)c(O)c1
BDBM50000498 N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O
BDBM50000499 CC(C)N1CCOC(C1)c1ccc(O)c(O)c1
BDBM50000501 CC(C)NC1CCc2cc(O)c(O)cc2[C@H]1O
BDBM50000502 Oc1ccc(cc1O)C1CNCCO1
BDBM50000503 N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
BDBM50000504 CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
BDBM50001859 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
BDBM50001884 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50002132 COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
BDBM50002133 C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50002134 C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1
BDBM50002338 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
BDBM50002012 OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
BDBM50002238 OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
BDBM50005548 CN1CC(c2ccccc2)c2cccc(N)c2C1
BDBM50005836 COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50005833 COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
BDBM50005834 CC(C)n1c2ccccc2n(C(=O)CC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18,THB:22:21:14.20.15:17.18|
BDBM50007126 CC(C)(C)C1Cc2c(O)c(O)ccc2[C@H](CN)O1
BDBM50007129 NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
BDBM50007134 NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccccc1
BDBM50007476 CC(C)(C)NCC(O)COc1ccc(O)c(O)c1
BDBM50007477 CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F
BDBM50007478 CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F
BDBM50007136 NC[C@H]1O[C@H](Cc2c(O)c(O)ccc12)c1ccccc1
BDBM50007140 Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
BDBM50007148 NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
BDBM50007170 COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24|
BDBM50009073 COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
BDBM50228538 COCCc1ccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1
BDBM50228540 OC(CNCCNC(=O)c1ccc(cc1)-n1ccnc1)COc1cccc2ccccc12
BDBM50228544 CS(=O)(=O)Nc1ccc(cc1)C(=O)NCCNCC(O)COc1ccccc1C#N
BDBM50228554 CC(=O)Nc1ccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1
BDBM50010891 NCC1OCCc2c(O)c(O)ccc12
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50010828 Cc1cccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)c1
BDBM50010829 Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1
BDBM50010830 COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1
BDBM50010834 OC(CNCCOc1ccc(cc1)-n1ccnc1)COc1ccccc1
BDBM50010837 COCCc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
BDBM50010840 Cc1cccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)c1
BDBM50010841 Cc1ccccc1OCC(O)CNCc1ccc(cc1)-n1ccnc1
BDBM50010842 Cc1ccccc1OCC(O)CN1CCN(CC1)c1ccc(NS(C)(=O)=O)cc1
BDBM50010844 CS(=O)(=O)Nc1ccc(cc1)C(O)CNCCOc1ccc(cc1)-n1ccnc1
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
BDBM50016909 CCCN(C)CCOc1cccc2ccccc12
BDBM50016912 CN(C)CCCOc1cccc2ccccc12
BDBM50016913 CCCCN(CC)CCOc1cccc2ccccc12
BDBM50016915 CCCCN(CCCC)CCOc1cccc2ccccc12
BDBM50016917 CCCCN(CCCC)CCCOc1cccc2ccccc12
BDBM50016918 CN(C)CCOc1cccc2ccccc12
BDBM50019443 CC(C)NCC(O)COc1cccc2[nH]ccc12
BDBM50019457 CCN(CC)CC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
BDBM50019458 CC1CCCCN1CCCNCC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
BDBM50019057 CNCC(O)c1cc(O)c(O)cc1F
BDBM50019355 COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
BDBM50019059 CNCC(O)c1ccc(O)c(O)c1F
BDBM50019060 NCC(O)c1ccc(O)c(O)c1F
BDBM50019061 NCC(O)c1cc(O)c(O)cc1F
BDBM50022784 CNCCC(Oc1ccccc1C)c1ccccc1
BDBM50020240 CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
BDBM50019968 CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10|
BDBM50021545 CNCC(O)c1cccc(O)c1F
BDBM50021546 CNCC(O)c1cc(O)ccc1F
BDBM50025124 Oc1ccc2c(c1)[nH]c(=O)n(CCN1CCC(CC1)C(=O)c1ccc(F)cc1)c2=O
BDBM50224552 CC(COCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C
BDBM50029050 CNC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50029051 NC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50026951 OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
BDBM50027326 Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
BDBM50027331 Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
BDBM50224553 CC(COCC(C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)NCC(O)COc1ccccc1CC=C
BDBM50031475 COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |wU:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
BDBM50036835 CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
BDBM50036836 CC\C=N\OCC(O)CNC(C)C
BDBM50036837 CCCO\N=C\C(O)CNC(C)C
BDBM50036838 C\C=N\OCC(O)CNC(C)(C)C
BDBM50036839 CCO\N=C\C(O)CNC(C)C
BDBM50036840 CC\C=N\OCC(O)CNC(C)(C)C
BDBM50036841 CCO\N=C\C(O)CNC(C)(C)C
BDBM50036842 CCCO\N=C\C(O)CNC(C)(C)C
BDBM50036843 C\C=N\OCC(O)CNC(C)C
BDBM50035057 C1CN(CCN1)c1cccc2OCCOc12
BDBM50042995 CNCC(O)c1c(F)ccc(O)c1F
BDBM50042996 NCC(O)c1cc(F)c(O)c(O)c1F
BDBM50042997 NCC(O)c1c(F)cc(O)c(O)c1F
BDBM50042998 NCC(O)c1cc(O)c(O)c(F)c1
BDBM50042999 CNCC(O)c1cc(F)c(O)c(O)c1F
BDBM50041913 CC(C)NCC1OCCc2c(O)c(O)ccc12
BDBM50041914 NCC1OCCc2cc(O)c(O)cc12
BDBM50041915 CC(C)NCC1OCCc2cc(O)c(O)cc12
BDBM50045875 O=C1Cc2c([nH]c3cccc(N1)c23)-c1ccccc1
BDBM50045775 C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045876 CCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045877 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045878 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccccc1
BDBM50045879 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(Br)cc1
BDBM50045880 CCCN(CCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
BDBM50045881 Fc1ccc(cc1)-c1[nH]c2ccccc2c1CC(=O)Nc1ccccc1Br
BDBM50045882 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
BDBM50045883 CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12
BDBM50045884 CCCCCCCCCCCCCCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045885 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1cccs1
BDBM50045886 CCCN(CCC)C(=O)\C=C\c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
BDBM50045887 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045888 CCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045889 CCCN(CCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1cccs1
BDBM50045890 CCCCCCN(CCCCCC)CCc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045891 CCCN(CCC)C(=O)C(C)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
BDBM50045892 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
BDBM50045893 CCCCCCCCN(CCCCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045894 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045895 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1cccc(Cl)c1
BDBM50045896 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
BDBM50045854 C(C1=NCCN1)c1c([nH]c2ccccc12)-c1ccccc1 |t:1|
BDBM50045855 CCCN(CCC)C(=O)Cc1c2-c3ccccc3CCCn2c2ccccc12
BDBM50045856 CCCN(CCC)C(=O)Cc1cn(Cc2ccc(Br)cc2)c2ccccc12
BDBM50045857 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045858 CCN(CC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045859 CCCCCCN(C)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045860 CCCCCCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045861 CCCN(CCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12
BDBM50045862 O=C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCC1
BDBM50045863 CCCCCN(CCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045864 CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)n(C)c2ccccc12
BDBM50045865 O=C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
BDBM50045866 CN(C)C(=O)Cc1c([nH]c2ccc(C)cc12)-c1ccc(C)cc1
BDBM50045867 CCCCN(CCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045868 CCCN(CCC)C(=O)Cc1c([nH]c2cc(F)ccc12)-c1ccccc1
BDBM50045869 CN(C)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045870 CCCN(CCC)C(=O)Cc1c([nH]c2ccc(C)cc12)-c1ccc(C)cc1
BDBM50045871 CCCN(CCC)C(=O)Cc1c([nH]c2c(F)cccc12)-c1ccccc1
BDBM50045872 CCCCCCN(CCCCCC)C(=S)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045873 CCCN(CCC)C(=O)CCc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
BDBM50045874 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(I)cc1
BDBM50048392 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
BDBM50057128 COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
BDBM50064205 CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1
BDBM50064207 Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1
BDBM50064217 OC(CNc1nc2ccccc2[nH]1)CON=C(C1CC1)C1CC1
BDBM50086660 OC(COc1ccc2SCC(=O)Nc2c1)CN1CCN(CC1)C(=O)c1ccc(F)cc1
BDBM50086662 COc1ccccc1N1CCN(CCCN2C(=O)CSc3ccccc23)CC1
BDBM50086663 OC(COc1ccc2SCC(=O)Nc2c1)CN1CCN(CC1)c1ccc(F)cc1
BDBM50086664 OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)C(=O)c1ccco1
BDBM50086665 OC(COc1ccc2NC(=O)CSc2c1)CN1CCN(CC1)c1ccc(F)cc1
BDBM50086666 COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc23)CC1
BDBM50086668 COc1ccccc1N1CCN(CC(O)COc2ccc3NC(=O)CSc3c2)CC1
BDBM50086670 COc1ccccc1N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1
BDBM50086672 OC(COc1ccc2NC(=O)CSc2c1)CN1CCN(CC1)C(=O)c1ccco1
BDBM50086673 CC(C)(C)NCC(O)COc1cccc2NC(=O)CSc12
BDBM50086674 OC(COc1ccc2SCC(=O)Nc2c1)CN1CCN(CC1)C(=O)c1ccco1
BDBM50086675 OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)C(=O)c1ccc(F)cc1
BDBM50086677 COc1ccccc1N1CCN(CC(O)COc2ccc3SCC(=O)Nc3c2)CC1
BDBM50086678 OC(COc1ccc2NC(=O)CSc2c1)CN1CCN(CC1)C(=O)c1ccc(F)cc1
BDBM50086679 OC(COc1cccc2NC(=O)CSc12)CN1CCN(CC1)c1ccc(F)cc1
BDBM50087510 NCCc1cc(O)c(O)cc1F
BDBM50087512 CNC[C@@H](O)c1ccc(O)c(O)c1 |r|
BDBM50087513 NC[C@H](O)c1cc(O)c(O)cc1F
BDBM50087516 NC[C@@H](O)c1ccc(O)c(O)c1F
BDBM50087517 NCCc1ccc(O)c(O)c1F
BDBM50087518 NC[C@H](O)c1ccc(O)c(O)c1F
BDBM50087520 CNC[C@H](O)c1ccc(O)c(O)c1F
BDBM50155152 COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN(C3)C2 |TLB:12:13:17:20.19.21,22:20:13.14.15:17,THB:21:20:13:16.15.17,21:16:13:20.19.22,22:14:17:20.19.21,(8.67,-11.69,;8.67,-10.15,;7.33,-9.38,;5.99,-10.15,;4.66,-9.38,;3.32,-10.15,;4.66,-7.83,;3.33,-7.06,;5.99,-7.05,;7.33,-7.82,;8.66,-7.05,;8.66,-5.5,;10.01,-7.81,;11.34,-7.04,;12.54,-5.76,;13.85,-6.25,;15.25,-5.9,;14.24,-7.18,;12.84,-6.62,;12.82,-5.01,;13.87,-3.79,;15.27,-4.37,;12.52,-4.26,)|
BDBM50181836 COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|
BDBM50094703 Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50092645 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
BDBM50101968 CCOC(=O)c1oc2cccc(OCCCNC(C)(C)C)c2c1C
BDBM50106973 O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NC2CCCCC2)cc1)COc1ccc(O)cc1
BDBM50106979 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2cc(F)ccc2F)cc1
BDBM50122648 C[C@@H](NCCc1ccc(OCC(O)=O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1
BDBM50122649 CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl
BDBM50122651 CC(NCCc1ccc(OCC(O)=O)c(Cl)c1)[C@H](O)c1ccc(O)cc1
BDBM50129952 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
BDBM206769 COc1cccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 |r|
BDBM206770 COc1cccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 |r|
BDBM206771 C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM206772 C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM206774 C[C@@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 |r|
BDBM206775 CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM206773 C[C@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 |r|
BDBM206776 CCCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM206777 CCCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 |r|
BDBM206778 CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 |r|
BDBM50156304 CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50159165 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50186613 NC(=O)c1c(CO)no[n+]1[O-]
BDBM50187377 CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
BDBM50193805 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c12
BDBM50193803 Cn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
BDBM50193804 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c12
BDBM50213105 CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213106 C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213107 CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213108 C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213109 CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213110 C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213111 C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213112 C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213096 C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213097 COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1
BDBM50213098 C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213099 COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
BDBM50213100 C[C@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213101 C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213102 COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1
BDBM50213103 C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213104 C[C@@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213113 CCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213114 C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213115 C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213116 C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213117 C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213118 C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213119 O[C@@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
BDBM50213120 COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
BDBM50213121 O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
BDBM50218164 Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
BDBM50218165 O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50224021 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(C)(C)c12
BDBM50221767 CC(Cc1ccc(OCc2no[n+]([O-])c2C)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,20.22|
BDBM50221772 CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,27.30|
BDBM50221773 CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,22.24|
BDBM50240370 CC(C)NCC(O)COc1ccccc1OCC=C
BDBM50240701 Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13|
BDBM50246936 CC(C)NC[C@H](O)COc1cccc2ccccc12 |r|
BDBM50242259 [#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
BDBM50255801 C=CCNCCCOc1cccc2c1oc1ccccc1c2=O
BDBM50255802 CC(C)(CO)NCCCOc1cccc2c1oc1ccccc1c2=O
BDBM50255803 CC(C)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O
BDBM50255804 CC(CO)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O
BDBM50255222 OC(CNCC=C)COc1cccc2c1oc1ccccc1c2=O
BDBM50255223 CC(CO)(CO)NCC(O)COc1cccc2c1oc1ccccc1c2=O
BDBM50255224 OC(CNCC=C)COc1ccc2c(c1)oc1ccccc1c2=O
BDBM50255225 OC(CNCC=C)COc1ccc2oc3ccccc3c(=O)c2c1
BDBM50267196 COc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12
BDBM50267197 COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]ccc12 |r|
BDBM50267198 COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]ccc12 |r|
BDBM50284689 Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
BDBM50284690 Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
BDBM50289986 COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
BDBM50289291 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8|
BDBM50289292 Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1 |c:13|
BDBM50289372 COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1
BDBM50285930 O[C@@H](CN[C@H]1CCCc2cc3OC(Oc3cc2C1)(C([O-])=O)C([O-])=O)c1cccc(Cl)c1
BDBM50327860 CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
BDBM50327861 CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327863 CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
BDBM50318159 CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50337297 OC(CNCCc1cccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c1)c1ccc(O)c2[nH]c(=O)ccc12 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|
BDBM50337298 OC(CNCCc1cccc(NC(=O)Nc2cccc(Oc3ccccc3)c2)c1)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50337299 OC(CNCCc1cccc(NC(=O)Nc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50337300 OC(CNCCc1cccc(NC(=O)NCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50337301 OC(CNCCc1cccc(NC(=O)NCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50337291 OC(CNCCc1cccc(NC(=O)NCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50337292 COc1ccccc1CNC(=O)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
BDBM50337293 OC(CNCCc1cccc(NC(=O)NCc2ccc(F)cc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50337294 OC(CNCCc1cccc(NC(=O)NCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50337295 OC(CNCCc1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50337296 OC(CNCCc1cccc(NC(=O)Nc2ccccc2-c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50333880 Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
BDBM50352113 COc1ccc2nc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1
BDBM50348426 CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM50348427 CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM50348428 C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM50348429 C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM50348430 COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
BDBM50348431 COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
BDBM50212981 Cl.CCOC(=O)CCc1ccc2CC[C@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r|
BDBM50367137 OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
BDBM50379086 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 |r|
BDBM50368604 [H]C12CN3C[C@]1(NC(=O)c1cc(Cl)c(N)cc1OC)C2CC3 |r|
BDBM50407518 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 |r|
BDBM50224298 CC(C)NCC(O)c1cc(O)c(O)cc1F
BDBM50224297 CC(C)NCC(O)c1cc(O)c(O)c(F)c1
BDBM50405517 CC(CC#N)NCC(O)COc1ccc(CCOCC2CCC2)cc1
BDBM50405518 CC(C)NCC(O)COc1ccc(CCCOCC2CCC2)cc1
BDBM50405519 CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1
BDBM50405520 CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1
BDBM50405521 CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
BDBM50405522 CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1
BDBM50405523 CC(CCc1ccccc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1
BDBM50405524 CC(=O)NCCNCC(O)COc1ccc(CCOCC2CCC2)cc1
BDBM50405525 CC(C)NCC(O)COc1ccc(COCC2CCC2)cc1
BDBM50405526 CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1
BDBM50405527 CC(C)NCC(O)COc1ccc(CS(=O)CC2CC2)cc1
BDBM50405528 CC(C)NCC(O)COc1ccc(CCOC2CCCCC2)cc1
BDBM50405529 CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCC2)cc1
BDBM50405530 CC(C)NCC(O)COc1ccc(CCSCC2CCC2)cc1
BDBM50405531 CC(C)NCC(O)COc1ccc(CCOCC2CCCC2)cc1
BDBM50405532 OC(CNC1CC1)COc1ccc(CCOCC2CCC2)cc1
BDBM50405533 CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCO2)cc1
BDBM50405534 COc1ccc(CCNCC(O)COc2ccc(CCOCC3CCC3)cc2)cc1OC
BDBM50405536 CC(C)NCC(O)COc1ccc(COCC2CC2)cc1
BDBM50405537 CC(CCc1ccc(F)cc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1
BDBM50224296 CC(C)NCC(O)c1ccc(O)c(O)c1F
BDBM50409469 C[C@H](NCCc1cc(Cl)c(NCC(O)=O)cc1Cl)[C@H](O)c1ccc(O)cc1
BDBM50409470 C[C@H](NCCc1ccc(NCC(O)=O)cc1)[C@H](O)c1ccc(O)cc1
BDBM50409471 C[C@H](NCCc1ccc(NC(C)(C)C(O)=O)cc1Cl)[C@H](O)c1ccc(O)cc1
BDBM50409472 C[C@H](NCCc1cc(Cl)c(NCC(O)=O)c(Cl)c1)[C@H](O)c1ccc(O)cc1
BDBM50409473 C[C@H](NCCc1cc(Br)c(NCC(O)=O)c(Br)c1)[C@H](O)c1ccc(O)cc1
BDBM50409474 C[C@H](NCCc1cc(Cl)c(N(C)CC(O)=O)c(Cl)c1)[C@H](O)c1ccc(O)cc1
BDBM50409475 C[C@H](NCCc1ccc(NCC(O)=O)c(Br)c1)[C@H](O)c1ccc(O)cc1
BDBM50409476 C[C@H](NCCc1ccc(cc1)N(CC(O)=O)CC(O)=O)[C@H](O)c1ccc(O)cc1
BDBM50409478 C[C@H](NCCc1ccc(NCC(O)=O)c(Cl)c1Cl)[C@H](O)c1ccc(O)cc1
BDBM50409479 C[C@H](NCCc1ccc(NCC(O)=O)cc1Cl)[C@H](O)c1ccc(O)cc1
BDBM50409480 C[C@H](NCCc1ccc(cc1)N(C)CC(O)=O)[C@H](O)c1ccc(O)cc1
BDBM50409481 C[C@H](NCCc1ccc(NCC(O)=O)c(I)c1)[C@H](O)c1ccc(O)cc1
BDBM50409482 C[C@H](NCCc1ccc(NC(C)(C)C(O)=O)cc1)[C@H](O)c1ccc(O)cc1
BDBM50409483 C[C@H](NCCc1ccc(N(C)CC(O)=O)c(Cl)c1)[C@H](O)c1ccc(O)cc1
BDBM50409484 C[C@H](NCCc1ccc(cc1)N(CC(O)=O)Cc1ccccc1)[C@H](O)c1ccc(O)cc1
BDBM50409468 C[C@H](NCCc1ccc(NCC(O)=O)c(Cl)c1)[C@H](O)c1ccc(O)cc1
BDBM50222134 COc1cc(CC2(NCCc3cc(O)c(O)cc23)C(O)=O)ccc1O
BDBM50222135 COc1cc(CC2NCCc3cc(O)c(O)cc23)ccc1O
BDBM50222193 [H][C@@]1(Cc2ccc(OC)c(O)c2)NCCc2cc(OC)c(O)cc12
BDBM50222198 [H][C@]1(Cc2ccc(OC)c(O)c2)NCCc2cc(OC)c(O)cc12
BDBM50222200 OC(=O)C1(Cc2ccc(O)c(O)c2)NCCc2cc(O)c(O)cc12
BDBM50222194 [H][C@@]1(Cc2ccc(O)c(O)c2)NCCc2cc(O)c(O)cc12
BDBM50222196 COc1ccc(CC2NCCc3cc(OC)c(O)cc23)cc1O
BDBM50422862 CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
BDBM50155153 COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2 |TLB:14:15:19.20.18:22,13:14:20:17.18.22,THB:16:15:20:17.18.22,16:17:15.14.23:20,14:19:15.23.16:22,(-1.58,-4.14,;-1.58,-2.61,;-2.91,-1.83,;-4.24,-2.61,;-5.57,-1.83,;-6.92,-2.61,;-5.57,-.29,;-6.9,.48,;-4.24,.48,;-2.91,-.29,;-1.58,.49,;-1.59,2.04,;-.25,-.26,;1.08,.49,;2.43,-.26,;4.02,.44,;5.42,-.05,;6.33,1.04,;4.81,.48,;3.32,1.02,;3.25,2.53,;4.8,3.07,;6.26,2.56,;4.01,1.86,)|
BDBM50067212 CNC[C@H](O)c1cccc(O)c1 |r|
BDBM50108088 CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM50146154 [H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1 |r|
BDBM50146160 [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@H](C)n3ncccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
BDBM50146156 [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3ncccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
BDBM50222540 CC(Oc1ccc(C)c(C)c1)C(O)CNC(C)(C)C
BDBM50212465 COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCC1C2 |TLB:12:13:20:18.17|
BDBM50212979 Cl.CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
BDBM50212980 Cl.CCOC(=O)CCc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r|
BDBM50212977 Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r|
BDBM50212978 Cl.CCOC(=O)c1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
BDBM50214285 COCCc1ccc(OC(F)(F)[C@H](O)CNC(C)C)cc1
BDBM50218691 CCOC(=O)c1oc2cccc(OCC(O)CNC(C)(C)C)c2c1C
BDBM50218688 CCOC(=O)c1oc2cccc(OCCCNC(C)C)c2c1C
BDBM50222195 COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
BDBM50222197 COc1cc2CCNC(Cc3ccc(O)c(O)c3)c2cc1O
BDBM50222199 Oc1cc(Br)c(CC2NCCc3cc(O)c(O)cc23)cc1O
BDBM50222769 CC(Oc1ccccc1)C(O)CNC(C)(C)C
BDBM50222722 CC(C)NCC(O)C(C)Oc1ccc2ccccc2c1
BDBM50222723 CC(Oc1ccccc1CC=C)C(O)CNC(C)(C)C
BDBM50222773 CC(C)NCC(O)C(C)Oc1ccccc1CC=C
BDBM50222770 CC(C)NCC(O)C(C)Oc1ccc(C)c(C)c1
BDBM50222775 CC(C)NCC(O)C(C)Oc1ccc(Cl)c(Cl)c1
BDBM50222776 CC(Oc1ccc2ccccc2c1)C(O)CNC(C)(C)C
BDBM50223423 NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
BDBM50223424 CC(C)NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
BDBM50222724 CCc1ccc(OC(C)C(O)CNC(C)(C)C)cc1
BDBM50222768 CCc1ccc(OC(C)C(O)CNC(C)C)cc1
BDBM50226765 CCCNCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
BDBM50224482 CC(N)COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C
BDBM50224492 COCCc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
BDBM50224525 COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
BDBM50224526 COCCc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1
BDBM50224527 CC(COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C)NCC(O)COc1ccccc1CC=C
BDBM50224528 COc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
BDBM50225368 CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr |(7.44,-1.49,;8.18,-2.83,;9.25,-3.91,;7.38,-4.15,;5.84,-4.12,;5.1,-2.77,;5.56,-1.2,;3.56,-2.73,;2.76,-4.04,;1.22,-4.01,;.42,-5.34,;-1.12,-5.3,;-1.86,-3.95,;-1.05,-2.63,;.48,-2.66,;1.28,-1.35,;.55,,;-.99,.03,;8.76,-1.38,;9.72,-2.87,;11.65,-2.03,;13.03,-2.45,;14.37,-1.67,;12.07,-.94,;10.24,-1.77,;14.12,-3.53,;15.54,-2.64,;15.46,-1.2,;16.74,-3.35,;17.94,-2.64,)|
BDBM50224529 CC(COCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12)OCC(C)OCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12
BDBM50224530 CC(COCC(C)OCC(C)OCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12)NCC(O)COc1cccc2ccccc12
BDBM50224531 COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
BDBM50224532 CC(N)COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)NCC(O)COc1cccc2ccccc12
BDBM50224533 COc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1
BDBM50223422 CNCC(c1ccc(O)c(O)c1)S(O)(=O)=O
BDBM50231569 Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
BDBM50226716 CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N |(2.48,-10.11,;2.5,-8.58,;2.48,-7.04,;4.04,-8.58,;4.82,-9.89,;4.04,-11.23,;6.35,-9.89,;7.12,-11.23,;.97,-8.58,;-.26,-7.82,;-2.36,-8.12,;-2.89,-6.42,;-4.43,-6.42,;-1.56,-7.19,;.41,-6.89,;-2.89,-4.88,;-4.23,-4.12,;-5.56,-4.91,;-6.9,-4.14,;-5.54,-6.44,;-6.88,-7.21,;-6.86,-8.76,;-8.2,-9.52,;-8.2,-11.06,;-6.86,-11.83,;-5.53,-11.06,;-4.19,-11.83,;-2.84,-11.03,;-2.86,-9.49,;-5.53,-9.52,;-1.46,-11.85,;-.07,-12.65,)|
BDBM50226717 CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12 |(2.66,-6.58,;2.67,-5.04,;2.66,-3.5,;4.21,-5.04,;4.98,-6.36,;4.21,-7.7,;6.52,-6.36,;7.29,-7.7,;1.13,-5.04,;-.1,-4.28,;-2.18,-4.57,;-2.72,-2.89,;-4.26,-2.89,;-1.4,-3.66,;.59,-3.34,;-2.72,-1.35,;-4.06,-.56,;-5.39,-1.36,;-6.73,-.59,;-5.38,-2.9,;-6.73,-3.67,;-6.71,-5.21,;-8.04,-5.98,;-8.04,-7.52,;-6.71,-8.29,;-5.38,-7.52,;-4.03,-8.29,;-2.68,-7.51,;-2.68,-5.95,;-5.38,-5.98,)|
BDBM50226718 CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr |(-2.37,-8.18,;-2.35,-6.59,;-1.58,-5.2,;-3.94,-6.59,;-5.26,-5.83,;-6.58,-6.59,;-7.91,-5.83,;-6.57,-8.12,;-7.9,-8.88,;-7.9,-10.42,;-9.2,-11.18,;-9.2,-12.71,;-7.9,-13.47,;-6.57,-12.71,;-5.23,-13.46,;-3.89,-12.68,;-3.9,-11.16,;-6.57,-11.18,;-.76,-6.59,;.44,-6.16,;2.19,-6.79,;2.99,-5.43,;4.58,-5.43,;1.69,-5.86,;.01,-5.2,;3.41,-3.88,;4.94,-3.48,;6.05,-4.61,;5.36,-1.96,;6.89,-1.55,)|
BDBM50226719 CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr |(-2.34,-8.06,;-2.31,-6.5,;-1.55,-5.13,;-3.88,-6.5,;-5.18,-5.75,;-6.49,-6.5,;-7.79,-5.75,;-6.48,-8,;-7.78,-8.75,;-7.78,-10.27,;-9.06,-11.02,;-9.06,-12.53,;-7.78,-13.28,;-6.48,-12.53,;-5.15,-13.27,;-3.84,-12.5,;-3.85,-11,;-6.48,-11.02,;-2.48,-13.28,;-1.13,-14.06,;-.75,-6.5,;.43,-6.07,;2.16,-6.69,;2.95,-5.35,;4.51,-5.35,;1.66,-5.77,;.01,-5.13,;3.36,-3.83,;4.87,-3.43,;5.97,-4.54,;5.28,-1.93,;6.79,-1.53,)|
BDBM50226751 [Cl-].C[n+]1ccn(CC(O)c2ccc(NS(C)(=O)=O)cc2)c1
BDBM50226762 OC(CNC1CC1)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
BDBM50226968 CC(C)(Cc1ccc(NC(=O)CBr)cc1)NCC(O)c1ccc(O)c2nc(O)ccc12
BDBM50226969 CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2nc(O)ccc12
BDBM50226970 CC(C)(Cc1ccc(N)cc1)NCC(O)c1ccc(O)c2nc(O)ccc12
BDBM50226763 Cl.CC(C)NCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
BDBM50226764 Cl.CC(C)(C)NCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
BDBM50226766 CCCCNCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
BDBM50225367 CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C |(13.93,-2.74,;12.84,-3.85,;13.26,-5.32,;14.34,-4.24,;15.41,-3.15,;15.02,-1.65,;16.9,-3.54,;17.3,-5.04,;11.37,-3.44,;10.1,-3.86,;8.48,-3.25,;7.73,-4.59,;7.12,-5.53,;8.9,-4.17,;10.6,-4.79,;7.32,-2.45,;5.78,-2.42,;5.05,-1.07,;5.52,.48,;3.51,-1.04,;2.71,-2.35,;1.17,-2.32,;.36,-3.66,;-1.18,-3.6,;-1.91,-2.26,;-1.09,-.94,;.43,-.97,;1.23,.34,;.49,1.69,;-1.05,1.72,)|
BDBM50227813 CC(C)(C)NCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM50227814 CC(C)NCC(O)COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
BDBM50227816 CCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM50227817 OC(CNC1CCCCC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM50227818 CC(C)NCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM50228534 COc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1
BDBM50228535 COCCc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1
BDBM50228536 CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC(O)COc2ccccc2)CC1
BDBM50228537 COc1ccccc1C(O)CNCCOc1ccc(cc1)-n1ccnc1
BDBM50227819 CC(C)NCC(O)COc1cccc2c1oc(cc2=O)-c1ccccc1
BDBM50227820 OC(CNC1CC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
BDBM50227821 CC(C)NCC(O)COc1ccc2c(c1)oc(C)cc2=O
BDBM50228539 CS(=O)(=O)Nc1ccc(cc1)C(=O)NCCNCC(O)COc1ccccc1
BDBM50228541 CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC(O)CONC(C2CC2)C2CC2)CC1
BDBM50228542 CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC(O)COc2cccc3C(=O)CCCc23)CC1
BDBM50228543 CS(=O)(=O)Nc1ccc(cc1)C(=O)N1CCN(CC(O)COc2ccccc2)CC1
BDBM50228545 CS(=O)(=O)Nc1ccc(cc1)C(=O)NC1CCCCC1NCC(O)COc1ccccc1
BDBM50228546 CS(=O)(=O)Nc1ccc(cc1)C(=O)NCCNCC(O)COc1cccc2ccccc12
BDBM50228547 CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1
BDBM50228548 CS(=O)(=O)Nc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1
BDBM50228549 COc1ccc(OCC(O)CNCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
BDBM50228555 COCCc1ccc(OCC(O)CN2CCN(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
BDBM50228556 CS(=O)(=O)Nc1ccc(cc1)C(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
BDBM50228557 OC(CNCCOc1ccc(cc1)-n1ccnc1)CONC(C1CC1)C1CC1
BDBM50228558 CS(=O)(=O)Nc1ccc(CNCC(O)COc2ccccc2)cc1
BDBM50226971 CC(C)(Cc1ccc(I)cc1)NCC(O)c1ccc(O)c2nc(O)ccc12
BDBM50227815 CCCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1