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5185 SMILES Strings for Mu-type opioid receptor

Compound NameSMILES String
BDBM21842 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
BDBM36187 CCCCCC(C)[NH3+]
BDBM26943 CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O)C(C)C
BDBM34699 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCC(O)C3)c(C#N)c21 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5|
BDBM26950 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
BDBM34593 Oc1c(ccc2cccnc12)C(N1CCOCC1)c1ccccn1
BDBM8961 Nc1c2CCCCc2nc2ccccc12
BDBM11064 OC[C@@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM50269312 COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50269313 COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM21015 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
BDBM21136 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM114600 Clc1ccc(CN2CCN(CC2)c2ncccn2)cc1Cl
BDBM114601 OC(COc1ccc2cc(Br)ccc2c1)CN1CCN(CC1)c1ccccn1
BDBM114599 COc1cccc(OCC(O)CN2CCN(CC2)c2ccccn2)c1
BDBM114603 COc1cccc(c1)-n1cc(CNCc2cn(C)nc2-c2ccccc2F)cn1
BDBM114604 CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1
BDBM114605 Fc1ccc(F)c(CN2CCN(CC2)c2ncccn2)c1
BDBM114606 Cc1cccc(CN2CCN(CC2)c2ncccn2)c1
BDBM114607 COc1ccc(CC2(CO)CCN(Cc3cc4ccccc4o3)CC2)cc1
BDBM114608 C(Oc1ccc(CN2CCN(CC2)c2ccccn2)cc1)c1ccccc1
BDBM114609 CCOC(=O)C1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
BDBM114610 Clc1ccccc1CN1CCN(CC1)c1ccccc1
BDBM114611 Clc1ccccc1CN1CCN(CC1)c1ncccn1
BDBM114612 C(N1CCN(CC1)c1ncccn1)c1ccccc1
BDBM114613 Brc1ccc(CN2CCN(CC2)c2ccccn2)s1
BDBM114614 [#6]C1([#6])[#6](\[#6]=[#6](\Cl)Cl)-[#6]1-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1
BDBM114617 Clc1ccc(CN2CCN(CC2)c2ncccn2)cc1
BDBM114615 Oc1ccc(CN2CCN(CC2)c2ncccn2)cc1
BDBM114616 Cc1ccc(CN2CCN(CC2)c2ncccn2)o1
BDBM114618 CCOc1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2F)cc1
BDBM114619 CCc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1
BDBM114620 CC1CC(C)CN(CCOc2cccc(Cl)c2Cl)C1
BDBM114621 CCOC(=O)N1CCN(Cc2ccc(OCC(O)CN3CCCCC3)cc2)CC1
BDBM114622 Cc1ccc(CN2CCN(CC2)c2ncccn2)c(C)c1
BDBM114623 C(N1CCN(CC1)c1ccccn1)c1ccsc1
BDBM114624 COc1ccc(CN2CCN(CC2)c2ccccn2)c(OC)c1
BDBM114625 COc1ccc(CN2CCN(CC2)c2ncccn2)c(C)c1C
BDBM114626 COc1cc(CN2CCN(CC2)c2ncccn2)cc(OC)c1
BDBM114627 Cc1ccc(CN2CCN(CC2)c2ccccn2)s1
BDBM114628 COc1cc(Br)cc(CN2CCN(CC2)c2ncccn2)c1O
BDBM114629 COc1ccccc1C(=O)NCCN1CCN(CC1)c1ccccc1
BDBM114630 CC(COc1ccccc1)N1CCC(CO)(Cc2ccccc2)CC1
BDBM114631 Fc1ccccc1CN1CCN(CC1)c1ncccn1
BDBM114632 Brc1cccc(CN2CCN(CC2)c2ncccn2)c1
BDBM21173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
BDBM21008 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
BDBM21014 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM21025 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM21141 CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM21393 CCCN(CCC)C1CCc2cccc(O)c2C1
BDBM21130 CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
BDBM50269283 CCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
BDBM50269284 CCCCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
BDBM21845 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
BDBM21852 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
BDBM21850 CN1Cc2cc(F)ccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
BDBM21865 [H][C@]12Cc3ccc(O)c4OC5[C@](CCN1CC1CC1)(c34)[C@@]21CCC5(OC)C(C1)C(C)(C)O |TLB:28:26:11.10:21.22,8:19:20:14.12.13,4:3:20:14.12.13|
BDBM21849 CN1Cc2cccc(F)c2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
BDBM21851 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
BDBM21855 CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
BDBM21858 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
BDBM21860 CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
BDBM21854 CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
BDBM21853 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
BDBM21844 [H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
BDBM21857 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
BDBM21864 [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
BDBM21856 CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
BDBM21859 CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
BDBM21848 CN1Cc2ccccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
BDBM21847 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
BDBM21863 CC(C)C1CCC(CC1)N1CCC(CC1)(C(N)=O)c1ccccc1 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;.21,5.55,;1.54,3.24,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
BDBM21861 CNC(=O)C1(CCN(CC1)C1CCC(CC1)C(C)C)c1ccccc1 |(1.54,6.32,;.21,5.55,;.21,4.01,;1.54,3.24,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
BDBM21846 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
BDBM21862 CC(C)C1CCC(CC1)N1CCC(CC1)(C(=O)NCc1ccccc1)c1ccccc1 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
BDBM26924 Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNC1CCC1)C2=O)c1ccccc1
BDBM26923 Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNCC1CC1)C2=O)c1ccccc1
BDBM26907 CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26922 CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
BDBM26908 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
BDBM26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
BDBM26905 CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26888 O=C1NCN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM26940 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCC2)C3=O)c2ccccc2)c2ccccc12
BDBM26937 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
BDBM26890 CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
BDBM26892 CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
BDBM26955 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)c(Cl)cc23)C1=O
BDBM26900 CC(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26921 CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
BDBM26939 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC=C)C3=O)c2ccccc2)c2ccccc12
BDBM26891 CCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
BDBM26915 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNCC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
BDBM26914 CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26906 CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26953 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3c(Cl)cccc23)C1=O
BDBM26898 C=CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
BDBM26930 CCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
BDBM26931 CC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
BDBM26946 CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
BDBM26899 CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26949 Clc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1Cl
BDBM26916 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
BDBM26932 CC1(C)CCC(N2CCC3(CC2)N(CN(CCO)C3=O)c2ccccc2)c2ccccc12
BDBM26954 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)ccc23)C1=O
BDBM26947 CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccccc12
BDBM26938 CCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
BDBM26934 CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
BDBM26919 Clc1cccc(Cl)c1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM26920 CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
BDBM26901 COC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26935 CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
BDBM26918 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
BDBM26889 CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
BDBM26917 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
BDBM26952 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3ccc(Cl)cc23)C1=O
BDBM26902 OCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26933 CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
BDBM26904 NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26936 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCC2)C3=O)c2ccccc2)c2ccccc12
BDBM26903 COCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26951 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCc2ccccc2)C3=O)c2ccccc2)c2ccccc12
BDBM25746 Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
BDBM26944 CC1(C)CCC(N2CCC3(CC2)N(CN(CCN2CCCC2)C3=O)c2ccccc2)c2ccccc12
BDBM26927 CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
BDBM26925 CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
BDBM26926 CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
BDBM26912 CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O)C(C)C
BDBM26909 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
BDBM26913 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26897 O=C1N(CC#C)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM26929 Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1
BDBM26945 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
BDBM26893 CC(C)N1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
BDBM26911 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CC1)C2=O)c1ccccc1)c1ccccc1Cl
BDBM26942 CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
BDBM26910 CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
BDBM26894 O=C1N(CC2CC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM26941 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CC2)C3=O)c2ccccc2)c2ccccc12
BDBM26928 CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
BDBM29995 C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
BDBM27957 CC(C)N[C@H]1CCn2c3c(cccc3[nH]c2=O)[C@@H]1O |r|
BDBM22165 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
BDBM22199 Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
BDBM27955 CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O |r|
BDBM50335567 CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
BDBM50335568 CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
BDBM50335569 OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50335570 OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
BDBM50335571 OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CN(Cc3ccccc3)CC2C1
BDBM50335572 COC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CCN(C)CC1
BDBM50335573 CC1(C)CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
BDBM50335574 OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
BDBM50335575 OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
BDBM50335576 OCC1(CCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
BDBM50335577 CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CCCCCCC1)C(O)=O
BDBM50333880 Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
BDBM50334150 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
BDBM50334158 FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
BDBM50334059 COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50334060 COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50199924 C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)S(=O)(=O)c1ccccc1 |r|
BDBM50199925 C[C@H]1CN2CCN(Cc3ccsc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199926 C[C@H]1CN2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199927 C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50199928 C[C@H]1CN2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199929 C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199930 C[C@H]1CN2CCN(Cc3cccc(OCc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199931 C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(c1)C(N)=O)c1ccccc1 |r|
BDBM50199932 C[C@H]1CN2CCN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199914 C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199923 C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Nc1ccccc1 |r|
BDBM50199909 C[C@H]1CN2CCN(Cc3ccnc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199910 C[C@H]1CN2CCN(Cc3ccccc3Cl)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199911 C[C@H]1CN2C[C@@H](N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(c1)C(N)=O)c1ccccc1 |r|
BDBM50199912 C[C@H]1CN2C[C@@H](N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50199913 C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r|
BDBM50099625 C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
BDBM50099626 CC[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50099627 C[C@H](NC(=O)c1c(CN2CCOCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
BDBM50099628 C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
BDBM50099630 CC[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50099631 C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCOCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
BDBM50099632 CC(C)[C@H](NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50099633 CC[C@H](NC(=O)c1c(CN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50099634 CC[C@H](NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50044897 CN([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)C(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1
BDBM50174951 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)c1cc2ccccc2o1
BDBM50174952 CCCS(=O)(=O)Nc1ccc2O[C@@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
BDBM50174953 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1Cc2cc(NC(C)=O)ccc2O1
BDBM50174954 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1
BDBM50174955 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2ccccc2O1
BDBM50083670 CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50083671 CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50120161 N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
BDBM50120150 N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(F)c1
BDBM50120151 CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50105084 O=C(OCc1cccc(Oc2ccccc2)c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50105085 O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
BDBM50105086 [O-][N+](=O)c1cc2OCOc2cc1CN1CCC(=CC1)n1[c-]2ccccc2nc1=[OH+] |c:18|
BDBM50105087 O=C(NCc1ccc2OCOc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50105088 O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
BDBM50105089 O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
BDBM50105090 CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O
BDBM50105091 CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
BDBM50105092 Clc1cc2OCOc2cc1COC(=O)NCCn1c2ccccc2[nH]c1=O
BDBM50105093 O=C(OC1CCc2ccccc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50105094 Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50105095 [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)Cc2c[nH]c3ccc(Br)cc23)c2[n-][o+]nc12
BDBM50105096 [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
BDBM50105097 [O-][N+](=O)c1cc2OCOc2cc1C=CC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |w:12.13|
BDBM50105098 COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |c:9,THB:9:8:16.5.6:20.18.19|
BDBM50105100 Cc1ncc(n1CCNC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl)[N+]([O-])=O
BDBM50105081 COc1cc(C=CC(=O)N2CCC3(CC2)N(CNC3=O)c2ccccc2)c(cc1OC)[N+]([O-])=O |w:5.4|
BDBM50108432 COc1ccc(OC)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108433 Clc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108434 O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1cccc(c1)C#N
BDBM50108435 FC(F)(F)c1ccccc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108436 Clc1ccc(cc1Cl)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50075360 COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50122854 CCCCCCCNC(=O)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
BDBM50122855 CCCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
BDBM50122856 CCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
BDBM50122857 CCCCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
BDBM50122858 CCCCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:19:20:32:24.30.29,38:21:32:24.30.29|
BDBM50083668 CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50083669 CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50122859 CCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
BDBM50041956 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50037485 CCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
BDBM50037486 CCCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
BDBM50037487 CCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
BDBM50037488 CCCCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:9:10:15:25.19.18,THB:24:25:15:10.12.11|
BDBM50013847 CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+]([O-])=O)cc1
BDBM50153141 O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1Cc2ccccc2C1
BDBM50012477 CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OC
BDBM50001028 [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
BDBM50194265 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
BDBM50194266 C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
BDBM50194267 C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3|
BDBM50194268 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
BDBM50194269 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccc(cc1)-c1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
BDBM50194270 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccc(cc1)-c1ccccc1 |TLB:15:14:1:4.9.3,8:9:1:14.12.13|
BDBM50194271 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:4.9.3|
BDBM50194272 CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(=O)NCCc1ccc(cc1)-c1ccccc1 |TLB:14:13:11:5.3.4,6:5:11:15.20.13,THB:19:20:11:5.3.4|
BDBM50194273 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
BDBM50116621 CC1CN(CCCc2ccccc2)C2C[C@H](N)CC1(C2)c1cccc(O)c1 |TLB:16:15:19:3.1.2,THB:0:1:19:14.17.15,4:3:19:14.17.15|
BDBM50082808 COCC1=C(C(N(C(=O)NCCCN2CCC(C)(CC2)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082836 Cc1cc(C)cc(c1)C1(CCNCC1)c1cc(C)cc(C)c1
BDBM50000507 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
BDBM50144303 CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccccc1 |(19.23,1.17,;17.89,1.92,;17.87,3.47,;16.54,4.23,;16.52,5.77,;15.2,3.45,;13.86,4.21,;12.53,3.42,;12.55,1.9,;13.88,1.12,;15.22,1.9,;11.21,1.12,;11.23,-.42,;9.89,-1.19,;9.89,-2.75,;10.67,-1.63,;11.87,-1.63,;12.58,-2.9,;12.56,-1.19,;11.23,-3.51,;11.23,-5.06,;12.56,-5.83,;12.56,-7.38,;13.8,-8.29,;13.32,-9.76,;11.79,-9.76,;10.76,-10.88,;9.26,-10.57,;8.79,-9.1,;9.82,-7.96,;11.31,-8.29,;9.88,1.88,;9.88,3.42,;8.55,4.18,;7.2,3.4,;7.22,1.85,;8.56,1.11,)|
BDBM50144304 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1ccc(-[#8]-[#6])cc1
BDBM50188879 CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1
BDBM50144251 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1ccc(-[#8])cc1
BDBM50144252 CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:22:21:14.20.15:18.17|
BDBM50144253 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccc(F)cc1)\c1ccccc1
BDBM50144254 [#6]-[#6](-[#6])-[#7](-[#6](-[#6])-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144255 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1cccc(-[#8]-[#6])c1
BDBM50144256 [#6]-[#8]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144257 CCN(CC)C(=O)c1ccc(cc1)N(C1CCNCC1)c1ccccc1
BDBM50144258 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\c1ccccc1
BDBM50144260 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144249 CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:22:21:14.15.20:17.18|
BDBM50144250 CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1 |THB:22:21:14.15.20:17.18|
BDBM50122547 [H][C@@]1(C)N(CCO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:22,t:20,TLB:14:15:3.1:18.23,THB:11:10:3.1:18.23,19:18:3.1:15.9.10,4:3:18.23:15.9.10,2:1:18.23:15.9.10|
BDBM50188856 Clc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1
BDBM50188857 Fc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1
BDBM50188859 Cc1ccccc1C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
BDBM50188861 Cc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1
BDBM50188863 Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1cccc(F)c1
BDBM50092698 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#7])c1
BDBM50083731 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O
BDBM50083732 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O
BDBM50019056 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50105117 O=C(OCCc1ccc(cc1)C#N)N1CCN(C\C=C\c2ccccc2)CC1
BDBM50105116 Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O
BDBM50174956 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2ccccc2O1
BDBM50130561 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
BDBM50080467 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1
BDBM50120162 CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1cccc(F)c1
BDBM50120163 CCCCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50120164 CCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50014154 Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
BDBM50144241 O=[#6](-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144242 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1cccc(-[#8]-[#6])c1
BDBM50144243 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1cccc(-[#8])c1
BDBM50144244 [#6]-[#6]-[#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]\[#6](-[#6]-2)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6]
BDBM50122548 C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1C |wU:2.2,10.21,9.9,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(9.83,-3.2,;8.73,-4.3,;4.91,-3.04,;4.91,-1.5,;4.91,.05,;6.24,.82,;6.24,2.36,;7.57,.05,;7.57,-1.5,;6.24,-2.27,;6.45,-6.14,;4.91,-6.14,;3.58,-5.37,;2.25,-6.14,;.91,-5.37,;.91,-3.83,;-.44,-3.03,;2.25,-3.04,;3.58,-3.81,;7.89,-5.58,;8.85,-6.79,)|
BDBM50122549 C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)|
BDBM50122550 C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1CC1CC1)=Nc1ccccc1 |w:29.35,wU:2.2,9.27,8.7,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.78,-2.83,;10.69,-3.93,;6.86,-2.67,;6.86,-1.13,;6.86,.42,;8.19,1.19,;9.53,.42,;9.53,-1.13,;8.19,-1.9,;8.41,-5.76,;6.86,-5.76,;5.53,-4.99,;4.2,-5.76,;2.85,-4.99,;2.85,-3.45,;1.52,-2.66,;.17,-3.41,;-1.16,-2.64,;-2.49,-3.39,;-2.5,-4.93,;-1.17,-5.72,;.17,-4.95,;4.2,-2.67,;5.53,-3.44,;9.85,-5.21,;10.8,-6.4,;10.24,-7.85,;9.05,-8.8,;10.48,-9.36,;8.19,2.73,;6.84,3.5,;6.86,5.06,;5.53,5.83,;4.18,5.06,;4.2,3.5,;5.53,2.75,)|
BDBM50122551 [H][C@@]12Cc3ccccc3[C@@]([H])(C3=CC=CCC13)[C@]1([H])CCCCN21 |r,wU:9.10,wD:17.20,1.0,c:14,t:12,TLB:22:23:11.16:8.2.3,7:8:23.17:11.16,THB:4:3:23.17:11.16,12:11:23.17:8.2.3,15:16:23.17:8.2.3,19:17:11.16:8.2.3,(3.03,-4.16,;3.51,-5.96,;4.65,-4.68,;5.71,-5.37,;7.19,-5.8,;8.3,-4.73,;7.92,-3.23,;6.44,-2.81,;5.34,-3.88,;3.83,-3.21,;3.92,-5.08,;3.76,-1.71,;2.95,-.4,;1.41,-.45,;.68,-1.8,;1.8,-3.42,;3.03,-3.06,;2.44,-3.99,;2.65,-2.14,;1.29,-2.97,;-.17,-3.45,;-.48,-4.96,;.67,-5.99,;2.13,-5.5,)|
BDBM50108442 O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccc2ccccc2c1
BDBM50108443 Fc1ccc(F)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108444 FC(F)(F)Oc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108446 COc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108447 COc1ccc(F)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108448 FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108450 Clc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50092719 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)c(Cl)c1
BDBM50092720 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](\c1cccs1)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1
BDBM50092721 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1
BDBM50092707 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(F)cc1
BDBM50092708 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6]-[#6]-1)\c1ccccc1
BDBM50092709 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)cc1
BDBM50092710 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1
BDBM50092711 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(F)c1
BDBM50092712 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1F
BDBM50092713 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)\c1ccccc1
BDBM50092714 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1)\c1ccccc1
BDBM50092715 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6])cc1
BDBM50092716 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#7+](-[#8-])=O
BDBM50092717 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc2ccccc12
BDBM50092718 [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6]
BDBM50039026 CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1
BDBM50039029 CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
BDBM50122553 COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H](C)N3C)C2=C1 |wU:16.22,6.20,5.23,17.18,c:24,t:2,TLB:9:8:19.17:21.5,20:19:21.5:15.8.7,THB:18:17:21.5:15.8.7,4:5:19.17:15.8.7,14:15:19.17:21.5,(4.9,3.17,;6.24,2.4,;6.24,.86,;7.57,.09,;7.57,-1.47,;6.24,-2.24,;6.45,-6.1,;4.91,-6.1,;3.58,-5.33,;2.25,-6.1,;.91,-5.33,;.91,-3.79,;-.44,-2.99,;-.44,-1.45,;2.25,-3.02,;3.58,-3.79,;4.91,-3.02,;8.73,-4.28,;9.83,-3.18,;7.89,-5.55,;8.85,-6.75,;4.91,-1.47,;4.91,.09,)|
BDBM50122554 CC(=O)OC1=CC[C@H]2[C@@H]3Cc4ccc(OC(C)=O)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:8.26,20.28,7.29,21.27,c:30,t:4,TLB:11:10:25.21:26.7,24:25:26.7:19.10.9,22:21:26.7:19.10.9,THB:6:7:25.21:19.10.9,18:19:25.21:26.7,(6.54,5.97,;6.54,4.43,;7.87,3.66,;5.21,3.66,;5.21,2.12,;6.56,1.35,;6.56,-.19,;5.21,-.96,;5.44,-4.84,;3.88,-4.84,;2.55,-4.07,;1.22,-4.84,;-.11,-4.07,;-.11,-2.52,;-1.45,-1.75,;-1.45,-.21,;-2.79,.58,;-.12,.56,;1.22,-1.75,;2.55,-2.52,;3.88,-1.75,;8.07,-3.32,;9.36,-4.16,;8.96,-5.65,;7.43,-5.72,;6.87,-4.28,;3.88,-.19,;3.88,1.35,)|
BDBM50122556 COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H](C)N3CC3CC3)C2=C1 |wU:16.26,6.20,5.4,17.18,c:28,t:2,TLB:9:8:19.17:24.5,20:19:24.5:15.8.7,THB:18:17:24.5:15.8.7,4:5:19.17:15.8.7,14:15:19.17:24.5,(4.9,4.64,;6.24,3.87,;6.24,2.33,;7.57,1.56,;7.57,.02,;6.24,-.75,;6.45,-4.63,;4.91,-4.63,;3.58,-3.86,;2.25,-4.63,;.91,-3.86,;.91,-2.31,;-.44,-1.52,;-.44,.02,;2.25,-1.54,;3.58,-2.31,;4.91,-1.54,;8.73,-2.8,;9.83,-1.7,;7.89,-4.07,;8.85,-5.28,;8.29,-6.72,;7.09,-7.66,;8.52,-8.24,;4.91,.02,;4.91,1.56,)|
BDBM50122867 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
BDBM50037479 CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:1:2:7:17.11.10,THB:16:17:7:2.4.3|
BDBM50037480 CCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6|
BDBM50037481 C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2 |TLB:9:10:1:15.13.14|
BDBM50037482 CCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
BDBM50037483 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2 |TLB:9:10:1:15.13.14|
BDBM50037484 CCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9|
BDBM50039022 CCN(CC)C(=O)c1ccc(cc1)[C@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(O)c1
BDBM50122860 CCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
BDBM50122861 CCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
BDBM50122862 CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:14:15:27:19.25.24,33:16:27:19.25.24|
BDBM50122863 CCCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
BDBM50122864 CCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
BDBM50122865 CC(C)CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
BDBM50122866 CCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
BDBM50122868 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
BDBM50122869 CCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
BDBM50174966 CNS(=O)(=O)c1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
BDBM50174968 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1
BDBM50188843 CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1
BDBM50188844 O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1
BDBM50188845 Cc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
BDBM50188849 Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1
BDBM50188855 O=C1NCN(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1
BDBM50082830 Cc1ccc(cc1)C1(CCNCC1)c1ccccc1C
BDBM50082832 C1CC(CCN1)(c1ccccc1)c1ccccc1
BDBM50083672 CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50117261 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
BDBM50122542 C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(9.83,-1.73,;8.73,-2.83,;4.91,-1.57,;4.91,-.02,;4.91,1.53,;6.24,2.3,;6.24,3.84,;7.57,1.53,;7.57,-.02,;6.24,-.79,;6.45,-4.65,;4.91,-4.65,;3.58,-3.88,;2.25,-4.65,;.91,-3.88,;.91,-2.34,;-.44,-1.55,;2.25,-1.57,;3.58,-2.34,;7.89,-4.11,;8.85,-5.3,;8.29,-6.75,;7.09,-7.7,;8.52,-8.27,)|
BDBM50122543 BrC1=CC[C@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(13.03,-1.48,;13.04,-3.02,;14.38,-3.79,;14.38,-5.33,;13.04,-6.1,;13.26,-9.97,;11.71,-9.97,;10.38,-9.2,;9.05,-9.97,;7.71,-9.2,;7.71,-7.66,;6.37,-6.89,;9.05,-6.87,;10.38,-7.64,;11.71,-6.87,;15.9,-8.45,;17.18,-9.29,;16.78,-10.76,;15.24,-10.86,;14.7,-9.41,;11.71,-5.33,;11.71,-3.79,)|
BDBM50099635 C[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
BDBM50099636 CC[C@H](NC(=O)c1c(CN2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50099637 CC(C)C(=O)N1CCN(Cc2c(nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)-c2ccccc2)CC1
BDBM50099638 CC(C)N1CCN(Cc2c(nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)-c2ccccc2)CC1
BDBM50105099 Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50155108 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1ccccn1
BDBM50155109 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1c(-[#6])cccc1-[#6]
BDBM50155110 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(\[#6]=[#6]-2\[#6]-[#6]-3-[#6]-[#6]-[#6](-[#6]-2)-[#7]-3-[#6]-c2ccoc2)cc1
BDBM50001022 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
BDBM50001023 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
BDBM50105082 [O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50105083 OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O
BDBM50037469 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
BDBM50037470 CCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9|
BDBM50037471 C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
BDBM50037472 CCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
BDBM50101160 CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50123749 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50123750 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
BDBM50123751 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
BDBM50123752 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
BDBM50123753 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50123754 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)OCCc1ccccc1
BDBM50123755 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1
BDBM50123756 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
BDBM50123757 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1
BDBM50123758 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50123759 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50123760 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O
BDBM50123761 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
BDBM50123762 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1
BDBM50123763 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50121312 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
BDBM50121313 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
BDBM50155103 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6](-[#6])=[#6])\c1cccc(c1)-[#6](-[#6])=O
BDBM50155104 CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2Cc1ccsc1)\c1cccc(c1)-c1nnn[nH]1 |THB:20:19:12.13.18:16.15|
BDBM50155105 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](\Br)=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1
BDBM50155106 CCNC(=O)c1ccc(cc1)C(\C#N)=C1/C[C@@H]2CC[C@H](C1)N2Cc1ccoc1 |THB:22:21:14.20.15:17.18|
BDBM50155107 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(F)cc1
BDBM50155120 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(-[#7]-[#6](-[#6])=O)cc1
BDBM50130563 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
BDBM50155121 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\[#6]-1=[#6]-[#7](-[#8])-[#6]=[#6]-[#6]1 |c:34,t:30|
BDBM50155122 CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCC(C)=C)\c1cccc(c1)C(C)=O |THB:20:19:12.13.18:16.15|
BDBM50155123 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cc(-[#7])cc(c1)-[#6](-[#8])=O
BDBM50155124 CCNC(=O)c1ccc(cc1)C(\Br)=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccoc1 |THB:21:20:13.14.19:17.16|
BDBM50155125 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](\c1ccco1)=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6](-[#6])=[#6]
BDBM50185616 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)c1ccn(c1)S(=O)(=O)c1ccc(OC)cc1
BDBM50185617 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)c1ccn(c1)S(C)(=O)=O
BDBM50082815 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
BDBM50099641 CC(C)[C@H](NC(=O)c1c(CN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50061290 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50061291 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50061292 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50061293 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50061295 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50144299 CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1 |THB:20:19:12.13.18:16.15|
BDBM50144300 [#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50045775 C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045776 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
BDBM50105483 Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:8:7:20.4.5:15.13.14|
BDBM50144247 CCN(CC)C(=O)c1ccc(cc1)N(C1C[C@@H]2CC[C@H](C1)N2CC=C)c1ccccc1 |THB:22:21:14.20.15:17.18|
BDBM50144248 O=[#6](-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50120144 CCCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50174943 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(NC(C)=O)ccc2O1
BDBM50174945 CCCS(=O)(=O)NCc1ccc2O[C@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
BDBM50185804 Clc1ccc2c(cn(Cc3ccccc3)c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
BDBM50082841 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:4|
BDBM50120145 CCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50120146 CCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50120147 N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F
BDBM50120148 CCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1cc(F)cc(F)c1
BDBM50120149 Cc1ccc(cc1)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
BDBM50092699 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1
BDBM50092700 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]=[#6])-[#6]-[#6]-1)\c1ccccc1
BDBM50092701 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1-[#8]-[#6]
BDBM50092702 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#16]-[#6])cc1
BDBM50092703 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#6](-[#6])=O
BDBM50092704 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)C(F)(F)F
BDBM50092705 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cccc1-[#6]
BDBM50092706 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1
BDBM50185802 C(N1CCC(CC1)c1c[nH]c2ncccc12)c1cccc2ccccc12
BDBM50185803 Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
BDBM50185805 Fc1ccc2[nH]cc(C3CCN(CC3)C3Cc4cccc5cccc3c45)c2c1
BDBM50185806 C(C1CCCCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
BDBM50185807 Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1
BDBM50185808 C(N1CCC(CC1)c1c[nH]c2ncccc12)c1ccc(Oc2ccccc2)cc1
BDBM50185809 Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:8|
BDBM50185810 Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
BDBM50185811 Clc1cccc2c(c[nH]c12)C1CCN(CC1)C1Cc2cccc3cccc1c23
BDBM50042765 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50174946 COC(=O)Nc1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
BDBM50174949 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(NS(C)(=O)=O)ccc2O1
BDBM50174958 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1CCc2ccccc2O1
BDBM50174959 COC(=O)NCc1ccc2O[C@@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
BDBM50174960 COC(=O)NCc1ccc2O[C@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
BDBM50174961 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2ccccc2O1
BDBM50174965 CNS(=O)(=O)c1ccc2OC(Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
BDBM50185812 OCCn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
BDBM50185813 Fc1ccc2c(c[nH]c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
BDBM50065353 CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50059994 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@]1(CCc2ccccc2C1)C[C@@]35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12,8:7:32:18.4.5|
BDBM50059995 CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)C[C@]1(CCc2ccccc2C1)C4=O)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50059996 CN1CCC23[C@H]4Oc5c2c(CC1[C@@H]3C[C@]1(CCc2ccccc2C1)C4=O)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50090503 O=C1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12
BDBM50090505 C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O
BDBM50099643 CC[C@H](NC(=O)c1c(CN2CCN(CC2)C2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50099644 CC(C)N1CCN(Cc2c(nc3ccccc3c2C(=O)NC2CCCCC2)-c2ccccc2)CC1
BDBM50144298 CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:20:19:12.18.13:15.16|
BDBM50207829 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cccc(c1)C(N)=O)C(O)=O
BDBM50207830 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50207831 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(cc1)C(N)=O)C(O)=O
BDBM50207832 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
BDBM50207833 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O
BDBM50207834 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(O)=O
BDBM50188374 O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
BDBM50155070 CCNC(=O)c1ccc(cc1)C(\C#N)=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccoc1 |THB:22:21:14.15.20:18.17|
BDBM50155071 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)S([#7])(=O)=O
BDBM50155072 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(F)c1
BDBM50155073 CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCC(C)=C)\c1cccc(c1)C(O)=O |THB:20:19:12.13.18:16.15|
BDBM50155074 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50155075 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cnc2ccccc2c1
BDBM50207835 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50207836 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O
BDBM50207837 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(cc1)C(O)=O)C(O)=O
BDBM50207838 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cc[n+]([O-])cc1)C(O)=O
BDBM50207841 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1cc[n+]([O-])cc1)C(O)=O
BDBM50147750 O=C1Cc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
BDBM50087459 CC(=O)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:44:11:14:3.5.4,9:10:14:3.5.4,THB:29:43:20:38.36.37,25:24:20:38.36.37|
BDBM50095707 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50121931 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50121932 CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50121933 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50147739 CC1(C)C2CC1C(CN1CCC(CC1)N1C(=O)Cc3ccccc13)CC2 |THB:7:6:1:4|
BDBM50147740 O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
BDBM50147741 O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCc2ccccc12
BDBM50147742 O=C1Cc2ccccc2N1C1CCN(CC1)C1CCC2CCCC[C@@H]2C1
BDBM50144245 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1ccc(-[#8])cc1
BDBM50144246 CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:22:21:14.20.15:18.17|
BDBM50180177 O=C(CCCCCCCCC(=O)Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50180178 O=C(CCCCCCCCC(=O)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50180179 O=C(CCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50180180 O=C(Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C=C\C(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50180181 O=C(CCCCCCCCC(=O)Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1
BDBM50132652 OC1(CCN(CC2CCCCCCC2)CC1)c1cccc(c1)C(F)(F)F
BDBM50132653 OC1(CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(c1)C(F)(F)F
BDBM50190367 CC(C)(C)c1cccc(c1)-c1nncn1-c1cccc(O)c1
BDBM50190368 Oc1cccc(c1)-n1cnnc1-c1ccc2ccccc2c1
BDBM50105779 COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:26.31,TLB:25:24:19.5.6:8.14.13,THB:18:19:24:8.14.13,9:8:24:19.5.6|
BDBM50105780 CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CC(=Cc1ccccc1)C4=O)ccc5O |w:19.22,TLB:16:15:11.12.13:4.6.5,THB:10:11:15:4.6.5,3:4:15:11.12.13|
BDBM50105781 COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)C(=O)C1(Cc2ccccc2C1)C[C@@]35O |TLB:33:32:19.5.6:8.14.13,THB:9:8:32:19.5.6,18:19:32:8.14.13|
BDBM50105782 CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cn[nH]c41)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
BDBM50190369 CN(C)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(O)c1
BDBM50190370 CN(C)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
BDBM50190371 CN(C)CCc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
BDBM50190372 CN1CCN(CC1)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
BDBM50190373 Oc1cccc(c1)-n1cnnc1-c1ccc(cc1)-c1ccccc1
BDBM50190374 CN(C)Cc1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
BDBM50132639 CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
BDBM50132641 OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F
BDBM50132642 CCCC1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(12.47,-8.29,;11.67,-6.98,;12.42,-5.62,;11.63,-4.3,;12.37,-2.95,;11.58,-1.63,;10.06,-1.66,;9.31,-3.02,;10.09,-4.32,;9.26,-.35,;10.01,1,;9.2,2.33,;7.66,2.29,;7.5,3.83,;6.91,.95,;7.72,-.38,;6.17,1.86,;5.79,.37,;4.32,-.05,;3.23,1.02,;3.6,2.5,;5.09,2.92,;2.48,3.56,;1.38,4.62,;3.55,4.68,;1.43,2.44,)|
BDBM50132643 OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
BDBM50132644 OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
BDBM50132645 CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F |(16.53,-7.57,;14.99,-7.59,;14.24,-8.94,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;10.27,-2.36,;9.48,-1.03,;10.23,.32,;10.06,1.84,;11.77,.35,;12.56,-.98,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;4.32,-1.38,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
BDBM50132647 OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
BDBM50132648 OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)cc1
BDBM50132650 OC1(CCN(CC1)C1CCC2CCCCC2C1)c1cccc(c1)C(F)(F)F
BDBM50132651 OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(Cl)c(c1)C(F)(F)F
BDBM50147735 CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |wD:6.9,3.2,(24.86,-7.21,;24.05,-5.88,;24.8,-4.53,;22.51,-5.93,;21.72,-4.6,;20.17,-4.65,;19.43,-6,;20.25,-7.31,;21.78,-7.28,;17.91,-6.04,;17.1,-4.72,;15.55,-4.77,;14.83,-6.12,;15.63,-7.44,;17.17,-7.39,;13.29,-6.16,;12.34,-4.95,;12.78,-3.47,;10.9,-5.46,;10.94,-7,;9.85,-8.05,;10.21,-9.57,;11.69,-9.99,;12.8,-8.93,;12.43,-7.42,)|
BDBM50147737 O=C1Cc2ccccc2N1C1CCN(CC1)C(C1CCCCC1)C1CCCCC1
BDBM50147738 O=C1Cc2ccccc2N1C1CCN(CC1)C1CCc2ccccc2C1
BDBM50067447 C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
BDBM50087002 O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCc2ccccc12
BDBM50165050 COc1c(ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c12)C(N)=O
BDBM50165051 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
BDBM50042760 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50090002 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50090003 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50090004 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50090005 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50126656 CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50126657 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50126658 CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50125466 COc1ccc(F)cc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
BDBM50127368 O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1C#N)Nc1ccccc1
BDBM50127369 Fc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
BDBM50127370 COc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
BDBM50122852 CCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
BDBM50122853 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
BDBM50200606 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(O)=O)c2=O)C(C)C)c1 |w:9.8|
BDBM50200607 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(N)=O)c2=O)C(C)C)c1 |w:9.8|
BDBM50013147 CO[C@H]1CC([C@H](C[C@H]1OC)N1CCCC1)N(C)C(=O)Cc1cccc2sccc12
BDBM50181364 O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1OCc1ccccc1
BDBM50181395 O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1CCCN1Cc1ccccc1
BDBM50200601 CNCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
BDBM50200602 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCC3CC3)c2=O)C(C)C)c1 |w:9.8|
BDBM50200603 COCCNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:22.23|
BDBM50200604 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)Cc3ccccc3)c2=O)C(C)C)c1 |w:9.8|
BDBM50200605 CCOCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
BDBM50180182 O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1
BDBM50180183 O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1
BDBM50180185 OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50180194 Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1
BDBM50180195 Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CC3)c2c1
BDBM50061061 CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
BDBM50061062 CCN1CC[C@@]2(Cc3[nH]c4ccccc4c3C[C@H]2C1)c1cccc(O)c1
BDBM50165048 NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
BDBM50153123 CC(C)CCC(C)N1CCC(CC1)N1c2ccccc2CNS1(=O)=O
BDBM50153124 CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CCNS(C)(=O)=O)S1(=O)=O |(.52,-9.66,;-.82,-8.88,;-2.15,-9.66,;-.84,-7.34,;.49,-6.56,;.49,-5.02,;-.84,-4.25,;-2.18,-5.02,;-2.18,-6.56,;-.84,-2.69,;-2.2,-1.98,;-2.23,-.41,;-.91,.39,;.44,-.35,;.48,-1.91,;-.94,1.94,;-2.29,2.65,;-3.6,1.84,;-4.94,2.59,;-4.99,4.14,;-3.69,4.93,;-2.32,4.18,;-1.02,4.99,;.34,4.26,;1.65,5.07,;3,4.33,;4.31,5.12,;5.67,4.4,;7.03,3.67,;6.78,5.47,;4.57,3.3,;.37,2.74,;1.86,3.13,;.77,1.24,)|
BDBM50203822 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
BDBM50203829 Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)cc(C)c1O
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50010618 CCCN1CCC[C@@H](C1)c1cccc(O)c1
BDBM50122526 C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1CC1CC1 |wU:2.2,13.27,12.11,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-2.45,;9.36,-3.55,;5.54,-2.29,;5.54,-.73,;5.54,.81,;6.87,1.58,;6.87,3.12,;8.2,3.9,;8.2,5.44,;9.53,3.13,;8.2,.81,;8.2,-.73,;6.87,-1.5,;7.08,-5.37,;5.54,-5.37,;4.21,-4.6,;2.88,-5.37,;1.54,-4.6,;1.54,-3.06,;.19,-2.27,;.19,-.73,;1.54,.04,;-1.14,.06,;2.88,-2.29,;4.21,-3.06,;8.52,-4.81,;9.48,-6.03,;8.92,-7.47,;7.72,-8.41,;9.15,-8.98,)|
BDBM50122527 C[C@H]1C2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc23)N1C |c:5,t:3,TLB:18:17:3.8:16.10.11,0:1:3.8:16.10.11|
BDBM50122529 COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1CC1CC1 |wU:22.24,10.28,8.8,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:9:8:25.23:21.12.11,26:25:7.8:21.12.11,13:12:7.8:25.23,(10.65,1.58,;9.32,2.35,;7.98,1.58,;6.63,2.35,;6.63,3.89,;5.3,4.66,;5.3,1.58,;5.3,.04,;6.63,-.73,;7.98,.04,;6.86,-4.6,;5.3,-4.6,;3.97,-3.83,;2.64,-4.6,;1.31,-3.83,;-.02,-4.6,;-1.35,-3.83,;1.31,-2.29,;-.02,-1.52,;-1.35,-2.29,;2.64,-1.52,;3.97,-2.29,;5.3,-1.52,;9.15,-2.78,;10.23,-1.68,;8.29,-4.04,;9.25,-5.25,;8.69,-6.68,;7.5,-7.64,;8.94,-8.2,)|
BDBM50128091 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50165049 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
BDBM50108437 [O-][N+](=O)c1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108438 Fc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108439 Cc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108440 COc1ccccc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108441 O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
BDBM50033530 CCC(=O)N([C@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
BDBM50181379 O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1Cc1ccccc1
BDBM50181380 O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1-c1ccccc1
BDBM50181382 O[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
BDBM50181392 O=C(NCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1
BDBM50128090 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
BDBM50195655 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC\C=C\c1ccc(Cl)cc1
BDBM50195656 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
BDBM50133268 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50177898 COCC1(CCN(CCc2cccs2)CC1)N(C(=O)C(C)F)c1ccccc1
BDBM50128074 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(O)=O
BDBM50128077 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50185615 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)c1ccn(c1)S(=O)(=O)c1ccccc1
BDBM50084993 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1cc2ccccc2o1
BDBM50084994 COc1cc2CN([C@@H](Cc2cc1-c1ccccc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C
BDBM50084995 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(O)=O
BDBM50017231 CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017232 CCC1CN(CC2CC2)C2C(C)C1c1cc(O)ccc1C2=O |TLB:11:10:20.13.19:4.2.3|
BDBM50087019 Clc1ccc(Cl)c2C[C@@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50087021 O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCc2ccccc12
BDBM50087022 O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1
BDBM50159926 CC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50017233 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
BDBM50017234 CC[C@@]12CCN(CC3CCC3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017235 CC[C@@]12CCN(CC3CCCO3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017236 CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21
BDBM50017237 CCCN1CC[C@]2(CC)[C@H](C1)Oc1ccc(O)cc21
BDBM50099887 Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099888 CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099889 C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099890 COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099891 FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099892 CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50010702 CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:38.46,19.26,4.4,2.2,88.90,128.132,144.148,70.71,105.107,wD:57.58,30.34,8.15,84.87,97.99,114.116,136.140,(27.24,-21.93,;25.83,-21.28,;25.7,-19.76,;26.97,-18.87,;24.28,-19.11,;24.14,-17.56,;25.39,-16.68,;26.8,-17.34,;25.25,-15.13,;23.87,-14.49,;23.73,-12.97,;22.32,-12.32,;22.18,-10.79,;20.78,-10.14,;19.51,-11.03,;20.63,-8.6,;26.5,-14.25,;26.41,-12.7,;25.05,-12.02,;27.68,-11.87,;29.07,-12.56,;30.37,-11.71,;31.74,-12.4,;33.01,-11.53,;34.37,-12.24,;34.46,-13.77,;35.67,-11.39,;27.59,-10.31,;28.87,-9.48,;30.26,-10.18,;28.78,-7.92,;27.42,-7.24,;26.12,-8.09,;24.76,-7.41,;26.21,-9.64,;30.05,-7.09,;29.97,-5.53,;28.6,-4.85,;31.24,-4.7,;32.63,-5.4,;32.72,-6.92,;31.45,-7.77,;31.55,-9.31,;32.93,-9.99,;34.21,-9.14,;34.11,-7.6,;31.15,-3.14,;32.43,-2.31,;33.81,-3.01,;32.34,-.76,;33.61,.08,;33.52,1.63,;32.16,2.32,;34.8,2.47,;34.71,4.01,;36,4.86,;37.37,4.17,;35.91,6.4,;37.19,7.24,;34.53,7.1,;33.23,6.24,;33.34,4.69,;32.06,3.84,;30.68,4.52,;29.39,3.71,;30.58,6.06,;31.86,6.91,;23.04,-19.99,;21.65,-19.34,;23.18,-21.52,;21.92,-22.42,;22.06,-23.97,;20.82,-24.84,;19.43,-24.2,;18.16,-25.1,;16.78,-24.46,;16.64,-22.94,;15.51,-25.35,;20.12,-21.58,;18.85,-22.48,;19.94,-19.61,;21.09,-18.4,;20.31,-16.91,;18.66,-17.19,;18.69,-18.75,;17.33,-19.47,;17.28,-21.01,;16.02,-18.66,;14.66,-19.38,;14.61,-20.92,;13.25,-21.64,;13.2,-23.18,;11.84,-23.91,;11.79,-25.45,;13.36,-18.57,;13.41,-17.03,;12,-19.29,;10.69,-18.48,;10.74,-16.94,;9.44,-16.12,;9.49,-14.58,;8.08,-16.85,;9.33,-19.2,;9.28,-20.74,;8.03,-18.39,;6.67,-19.11,;6.61,-20.65,;5.26,-21.37,;5.2,-22.91,;3.85,-23.64,;3.79,-25.18,;5.36,-18.3,;5.41,-16.76,;4,-19.02,;2.69,-18.21,;2.75,-16.67,;1.44,-15.85,;.01,-16.43,;-.98,-15.25,;-.16,-13.95,;-.59,-12.47,;.48,-11.36,;1.97,-11.73,;2.4,-13.21,;1.33,-14.32,;1.34,-18.93,;1.28,-20.47,;.03,-18.12,;-1.33,-18.84,;-1.38,-20.38,;-2.74,-21.1,;-4.05,-20.29,;-2.79,-22.64,;-2.64,-18.03,;-2.59,-16.49,;-4,-18.75,;-5.3,-17.94,;-5.25,-16.4,;-6.56,-15.58,;-7.92,-16.31,;-6.51,-14.04,;-6.66,-18.66,;-6.71,-20.2,;-7.97,-17.85,;-9.33,-18.57,;-9.38,-20.11,;-10.74,-20.83,;-10.79,-22.37,;-9.48,-23.19,;-12.15,-23.1,;-10.63,-17.76,;-11.99,-18.48,;-10.58,-16.22,)|
BDBM50189148 COC(=O)[C@@H]1C[C@H](NC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50019351 COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:9|
BDBM50143602 Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
BDBM50143603 CN1CC[C@@]23C4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)cc1sc(N)nc51
BDBM50143604 C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CC1 |TLB:19:18:1:13.4.3|
BDBM50189257 Oc1ccc2CC3N(CC=C)CCC45[C@H](Oc1c24)C(CCC35O)=NNC(=O)c1ccccc1 |w:23.28,TLB:22:21:7.11.12:17.5.4,THB:8:7:21:17.5.4,16:17:21:7.11.12|
BDBM50177894 CC(F)C(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50177895 CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OCF
BDBM50177896 CCC(=O)N(C1CCN(CCCCCF)CC1)c1ccccc1
BDBM50177897 CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OCCF
BDBM50177899 CCC(=O)N(c1ccccc1)C1(CCN(CCCCCF)CC1)C(=O)OC
BDBM50101628 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1
BDBM50101629 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccccc1
BDBM50101630 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C(C)(C)C
BDBM50101631 CCNC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
BDBM50084129 CC(C)(C)c1ccc(cc1)C(C1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
BDBM50084134 CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccc(O)c1
BDBM50084135 C[C@H]1CN(Cc2ccccc2)CCN1C(c1ccc(cc1)C(C)(C)C)c1cccc(O)c1
BDBM50105064 COC(=O)c1csc(c1OC)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1Nc1ccccc1
BDBM50089779 Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CNC(=O)c1ccc(C=O)c(C=O)c1 |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
BDBM50125258 NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
BDBM50125259 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
BDBM50095747 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(O)=O
BDBM50095748 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
BDBM50095749 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
BDBM50095750 CC(=O)C(N)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
BDBM50095755 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
BDBM50095756 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
BDBM50037489 CCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15,THB:21:22:12:7.9.8|
BDBM50037490 CCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:1:2:7:17.11.10,THB:16:17:7:2.4.3|
BDBM50037492 C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
BDBM50061063 CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(C)C[C@@H]3Cc2c1C)c1cccc(O)c1
BDBM50037477 CCCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:9:10:15:25.19.18,THB:24:25:15:10.12.11|
BDBM50037478 CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4|
BDBM50061064 CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC4CC4)C[C@@H]3Cc2c1C)c1cccc(O)c1
BDBM50013388 CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C |TLB:6:5:20:19.13.12|
BDBM50090006 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50090009 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50218793 COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
BDBM50218796 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
BDBM50209313 C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50143611 C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1 |TLB:19:18:1:13.4.3|
BDBM50143607 C[C@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |THB:0:1:10.4.3:15.13.14|
BDBM50143608 CN1CC[C@]23CCCCC2[C@H]1Cc1cc2sc(N)nc2cc31 |TLB:8:9:21.12.11:1.3.2|
BDBM50143609 Oc1ccc2C(=O)[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:9:8:5.22.4:16.14.15|
BDBM50246453 Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(CN1CCCC1)(C2)c1ccccc1)c1ccccc1Cl |r,TLB:22:14:8:10.11,THB:15:14:8:10.11|
BDBM50143610 Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1 |THB:14:13:6.5.10:21.19.20|
BDBM50259349 NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Cl)cc1 |TLB:1:3:10:6.7|
BDBM50259351 COc1ccc(cc1)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C(N)=O |TLB:31:8:15:11.12|
BDBM50108452 COc1ccc(Cl)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50157789 CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,THB:16:15:11:25.26.27,20:32:11:25.26.27|
BDBM50157790 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CC2CCCCC2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
BDBM50157791 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CCCCC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
BDBM50157792 Cn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:15:14:10:26.24.25,19:31:10:26.24.25|
BDBM50157793 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
BDBM50157794 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1|
BDBM50157795 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1Cc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
BDBM50157796 CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4C)c56 |r,THB:16:15:11:25.26.27,20:29:11:25.26.27|
BDBM50157797 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CCc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
BDBM50080456 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
BDBM50175902 O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
BDBM50175903 O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
BDBM50175907 CCCCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
BDBM50087016 O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
BDBM50087017 Clc1ccc2CC(CCc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50087018 Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(CC=C)C2=O)c1ccccc1
BDBM50056628 Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
BDBM50021347 CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1
BDBM50087020 Clc1ccc(Cl)c2C[C@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50128082 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
BDBM50128083 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O
BDBM50066535 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(Cl)cc1)ccc3O |r,THB:10:9:17:6.5.4|
BDBM50087003 OCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
BDBM50087004 CN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3c(Cl)ccc(Cl)c3C2)C1=O
BDBM50087005 Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50087006 Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CN(CC(=O)c1ccccc1)C2=O)c1ccccc1
BDBM50087007 Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50087008 O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc12
BDBM50087009 COCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
BDBM50087010 Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50087011 Cc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50087012 Clc1cccc2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50087013 O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc2C1
BDBM50087014 Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
BDBM50087015 O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCc2ccccc12
BDBM50073517 C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50073518 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O
BDBM50073519 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50073515 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
BDBM50073516 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)O[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1OC(C)=O
BDBM50135800 Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
BDBM50135801 O=C(CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
BDBM50135802 C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50135803 O=C(CCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50059090 CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)O)C(=O)N1
BDBM50173274 CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(ccc12)C(F)(F)F
BDBM50173275 O=C1N(CC2CO2)c2ccccc2C11CCN(CC2CCCCCCC2)CC1
BDBM50175740 COc1cccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)c1
BDBM50175741 O=C(Nc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50017543 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
BDBM50128084 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50128085 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
BDBM50128086 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
BDBM50019574 C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
BDBM50207821 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O
BDBM50207822 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(cc1)C(N)=O)C(N)=O
BDBM50207823 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50207824 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(cc2)C(N)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
BDBM50207825 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
BDBM50207826 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cccc(c1)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50207827 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1cccc(c1)C(N)=O)C(O)=O
BDBM50136110 CCCCNC(NCCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:33.37,wD:32.34,18.18,TLB:20:21:33:25.31.30,39:22:33:25.31.30,(11.8,-7.29,;11.85,-5.76,;10.54,-4.94,;10.59,-3.4,;9.28,-2.59,;9.35,-1.06,;10.7,-.33,;12.01,-1.14,;13.36,-.4,;14.67,-1.24,;16.02,-.51,;8.04,-.24,;6.81,-1.17,;7.01,-2.71,;5.79,-3.64,;4.37,-3.04,;2.98,-3.71,;1.92,-2.57,;.37,-2.59,;-1.14,-3.45,;-2.7,-2.68,;-1.95,-1.33,;-2.77,-.01,;-2.03,1.34,;-.48,1.39,;.26,2.74,;1.24,3.91,;.72,5.35,;1.01,6.87,;-.43,6.35,;-1.13,1.88,;-1.2,.05,;-.42,-1.29,;.33,.07,;1.41,1.17,;1.87,.11,;2.66,-1.22,;4.18,-1.51,;5.39,-.58,;-4.29,-.05,;-5.03,-1.41,;-4.23,-2.71,;-4.98,-4.06,)|
BDBM50136111 Nc1ccc(CNC(=N)NCCc2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
BDBM50136113 N\C([N-]Cc1ccc(cc1)[N+]([O-])=O)=[NH+]/c1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46C7(O)Cc3c2c1)ccc5O |THB:36:35:23.24.25:27.33.32,28:27:35:23.24.25,22:23:35:27.33.32|
BDBM50144231 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1cccs1)\c1ccccc1
BDBM50095737 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
BDBM50176363 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(NS(C)(=O)=O)cc1
BDBM50176364 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CN(C(C)=O)c1ccccc1
BDBM50105101 Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105102 CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105103 Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105104 CCOc1ccc(CCOC(=O)N2CCN(CCCc3ccccc3)CC2)cc1
BDBM50144230 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6])\c1ccc(-[#8]-[#6])cc1
BDBM50175894 O=C1NCN(CCc2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
BDBM50175898 Clc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
BDBM50224867 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50136121 CCCCNC(NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O)=NCCCC |w:40.48,TLB:17:18:30:22.28.27,36:19:30:22.28.27|
BDBM50136122 NC(NCc1ccccc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
BDBM50000296 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50122517 [H][C@@]1(C)N(CO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:21,t:19,TLB:13:14:3.1:17.22,THB:10:9:3.1:17.22,18:17:3.1:14.8.9,4:3:17.22:14.8.9,2:1:17.22:14.8.9|
BDBM50122518 C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC=C |wU:9.19,2.2,8.8,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-1.22,;7.84,-1.78,;4.09,-.54,;4.08,1,;4.08,2.56,;5.41,3.33,;6.74,2.56,;6.75,1.02,;5.41,.23,;5.63,-3.62,;4.09,-3.62,;2.76,-2.85,;1.42,-3.62,;.09,-2.85,;.09,-1.31,;1.42,-.54,;2.76,-1.31,;7.08,-3.11,;8.06,-4.29,;7.54,-5.74,;8.52,-6.91,)|
BDBM50122519 C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1C |wU:2.2,13.27,12.12,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-3.93,;9.36,-5.02,;5.54,-3.76,;5.54,-2.22,;5.54,-.66,;6.87,.11,;6.87,1.65,;8.2,2.42,;8.2,3.96,;9.53,1.65,;8.2,-.66,;8.2,-2.22,;6.87,-2.99,;7.08,-6.84,;5.54,-6.84,;4.21,-6.07,;2.88,-6.84,;1.54,-6.07,;1.54,-4.53,;.19,-3.74,;.19,-2.2,;1.54,-1.45,;-1.14,-1.42,;2.88,-3.76,;4.21,-4.53,;8.52,-6.3,;9.48,-7.5,)|
BDBM50122520 COC1=C(OC)C=C2[C@@H](C1)[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)N1C |wU:22.24,10.28,8.7,23.26,c:2,6,TLB:24:23:7.8:21.12.11,20:21:7.8:25.23,THB:26:25:7.8:21.12.11,9:8:25.23:21.12.11,13:12:7.8:25.23,(10.65,.11,;9.32,.88,;7.98,.11,;6.63,.88,;6.63,2.42,;5.3,3.19,;5.3,.11,;5.3,-1.45,;6.63,-2.22,;7.98,-1.45,;6.86,-6.07,;5.3,-6.07,;3.97,-5.3,;2.64,-6.07,;1.31,-5.3,;-.02,-6.07,;-1.35,-5.3,;1.31,-3.76,;-.02,-2.99,;-1.35,-3.76,;2.64,-2.99,;3.97,-3.76,;5.3,-2.99,;9.15,-4.25,;10.23,-3.16,;8.29,-5.53,;9.25,-6.73,)|
BDBM50122521 C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1CC1CC1)N1CCN(C)CC1 |wU:2.2,9.27,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:24.1:3.8,THB:7:8:24.1:16.11.10,25:24:3.8:16.11.10,12:11:24.1:3.8,(18.32,-10.24,;17.23,-11.34,;13.4,-10.08,;13.4,-8.52,;13.4,-6.98,;14.73,-6.21,;16.06,-6.98,;16.06,-8.52,;14.73,-9.29,;14.94,-13.17,;13.4,-13.17,;12.07,-12.4,;10.74,-13.17,;9.4,-12.4,;9.4,-10.85,;10.74,-10.08,;12.07,-10.85,;8.06,-10.06,;6.7,-10.83,;5.35,-10.04,;5.37,-8.48,;4.04,-7.7,;6.73,-7.71,;8.06,-8.5,;16.39,-12.61,;17.34,-13.81,;16.76,-15.24,;16.36,-16.73,;15.28,-15.64,;14.73,-4.67,;16.06,-3.9,;16.06,-2.36,;14.73,-1.59,;14.75,-.05,;13.4,-2.36,;13.39,-3.9,)|
BDBM50122522 C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1C(C)=O |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.08,-1.82,;7.66,-2.36,;3.9,-1.13,;3.9,.41,;3.9,1.96,;5.23,2.73,;6.56,1.98,;6.56,.42,;5.23,-.36,;5.46,-4.22,;3.92,-4.22,;2.57,-3.45,;1.24,-4.22,;-.09,-3.45,;-.09,-1.91,;1.24,-1.13,;2.57,-1.9,;6.89,-3.71,;7.89,-4.88,;7.36,-6.33,;9.4,-4.62,)|
BDBM50122523 C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1C)=NCc1ccccc1 |w:27.32,wU:2.2,9.28,8.8,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:26:25:3.8:24.11.10,7:8:25.1:24.11.10,12:11:25.1:3.8,(11.14,-2.39,;10.05,-3.49,;6.2,-2.23,;6.2,-.68,;6.2,.88,;7.54,1.65,;8.88,.88,;8.88,-.68,;7.54,-1.45,;7.76,-5.32,;6.2,-5.32,;4.87,-4.54,;3.54,-5.32,;2.21,-4.54,;2.21,-3,;.85,-2.21,;-.49,-2.97,;-.49,-4.51,;-1.84,-5.27,;-1.84,-6.8,;-.51,-7.58,;.83,-6.8,;.83,-5.27,;3.54,-2.23,;4.87,-3,;9.2,-4.77,;10.16,-5.97,;7.54,3.2,;6.2,3.97,;4.87,3.2,;4.87,1.68,;3.56,.91,;2.23,1.68,;2.23,3.2,;3.55,3.97,)|
BDBM50207828 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cc[n+]([O-])cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50008854 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
BDBM50059826 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N(C(C)C)C(C)C
BDBM50200597 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1 |w:9.8|
BDBM50153125 COC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(6.13,4.69,;4.78,5.41,;3.47,4.62,;3.51,3.08,;2.11,5.35,;.8,4.55,;-.55,5.3,;-1.84,4.48,;-3.19,5.23,;-4.5,4.43,;-4.46,2.89,;-3.12,2.14,;-1.82,2.94,;-.46,2.24,;-.44,.69,;-1.74,-.1,;-1.72,-1.67,;-.37,-2.38,;.94,-1.6,;.92,-.05,;-.37,-3.93,;-1.7,-4.71,;-1.7,-6.25,;-.37,-7.02,;.97,-6.25,;.97,-4.71,;-.34,-8.56,;-1.67,-9.35,;1.01,-9.33,;.85,3.03,;2.32,3.43,;1.25,1.53,)|
BDBM50153126 O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
BDBM50181374 O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1Oc1ccccc1
BDBM50200586 CCCNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:21.22|
BDBM50200587 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)N(C)C)c2=O)C(C)C)c1 |w:9.8|
BDBM50200588 COC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
BDBM50200589 CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O |w:20.20|
BDBM50200590 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCC=C)c2=O)C(C)C)c1 |w:9.8|
BDBM50200591 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC3CCC3)c2=O)C(C)C)c1 |w:9.8|
BDBM50200592 CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
BDBM50200593 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC(C)(C)C)c2=O)C(C)C)c1 |w:9.8|
BDBM50200594 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCSC)c2=O)C(C)C)c1 |w:9.8|
BDBM50200595 COCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
BDBM50200596 CCNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21|
BDBM50153127 CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC(N)=O)S1(=O)=O |(-1.46,-9.19,;-.14,-8.41,;1.2,-9.18,;-.16,-6.87,;-1.5,-6.08,;-1.5,-4.56,;-.16,-3.77,;1.17,-4.56,;1.17,-6.08,;-.16,-2.23,;-1.51,-1.52,;-1.54,.05,;-.23,.84,;1.12,.11,;1.15,-1.45,;-.27,2.4,;-1.61,3.1,;-2.92,2.29,;-4.25,3.04,;-4.3,4.6,;-2.99,5.39,;-1.64,4.64,;-.34,5.44,;1,4.71,;2.31,5.51,;3.67,4.77,;4.98,5.58,;3.7,3.22,;1.04,3.18,;2.53,3.59,;1.45,1.68,)|
BDBM50153128 O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
BDBM50153129 O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
BDBM50153130 CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2NS1(=O)=O |(7.16,-4.52,;7.03,-3.01,;8.3,-2.12,;5.65,-2.33,;4.36,-3.23,;2.95,-2.57,;2.84,-1.01,;4.1,-.12,;5.52,-.8,;1.42,-.33,;.15,-1.22,;-1.23,-.54,;-1.36,.99,;-.09,1.86,;1.3,1.2,;-2.74,1.64,;-4.02,.83,;-4.3,-.68,;-5.73,-1.19,;-6.92,-.19,;-6.65,1.3,;-5.21,1.83,;-4.62,3.25,;-3.09,3.13,;-1.6,3.41,;-3.39,4.62,)|
BDBM50136114 NC(NCc1ccc(Cl)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
BDBM50136115 Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(CC[N-]C(=[NH2+])NCc4ccc(cc4)[N+]([O-])=O)cc2c1CC35O |TLB:46:45:18.4.5:7.13.12,THB:8:7:45:18.4.5,17:18:45:7.13.12|
BDBM50136116 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccccc4)cc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12|
BDBM50136117 NC(NCc1ccc(O)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
BDBM50136118 NC(NCc1cccc(O)c1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
BDBM50136119 NC(NCc1ccc(N)cc1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:11.12,TLB:20:21:33:25.31.30,39:22:33:25.31.30|
BDBM50136120 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(NC(NCC4CC4)=NCc4ccccc4)cc2c1C[C@@]35O |w:32.37,TLB:17:18:44:7.13.12,3:4:44:7.13.12|
BDBM50122536 Brc1ccc(CNc2ccc3C[C@H]4[C@@H]5CCC(C=C5[C@@H]([C@@H]5CCCN45)c3c2)=NCc2ccc(Br)cc2)cc1 |w:27.32,wU:12.25,19.19,13.18,20.26,c:17,TLB:14:13:24.20:25.10.11,26:25:24.20:18.13,THB:21:20:18.13:25.10.11,23:24:18.13:25.10.11,9:10:24.20:18.13,(-1.25,-5.22,;.08,-5.99,;.08,-7.55,;1.41,-8.31,;2.74,-7.54,;4.08,-8.31,;4.08,-9.87,;5.42,-10.64,;5.42,-12.19,;6.77,-12.96,;8.1,-12.19,;9.43,-12.96,;10.97,-12.96,;10.76,-9.08,;12.1,-8.31,;12.1,-6.77,;10.76,-5.99,;9.43,-6.77,;9.43,-8.31,;9.43,-9.87,;13.62,-11.44,;14.9,-12.28,;14.5,-13.77,;12.98,-13.85,;12.42,-12.4,;8.1,-10.64,;6.77,-9.87,;10.76,-4.45,;12.09,-3.68,;12.09,-2.14,;13.43,-1.36,;13.43,.18,;12.1,.95,;12.1,2.49,;10.76,.16,;10.76,-1.36,;2.74,-6.01,;1.41,-5.24,)|
BDBM50122538 C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1Cc1ccccc1 |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-.38,;7.84,-.93,;4.09,.32,;4.08,1.86,;4.08,3.4,;5.41,4.17,;6.74,3.41,;6.75,1.86,;5.41,1.09,;5.63,-2.78,;4.09,-2.78,;2.76,-2.01,;1.42,-2.78,;.09,-2.01,;.09,-.47,;1.42,.3,;2.76,-.47,;7.08,-2.27,;8.06,-3.44,;7.54,-4.88,;8.52,-6.05,;8.01,-7.5,;6.49,-7.78,;5.49,-6.59,;6.02,-5.14,)|
BDBM50122539 COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:6.22,16.24,5.25,17.23,c:26,t:2,TLB:18:17:22.5:15.8.7,9:8:21.17:22.5,20:21:22.5:15.8.7,THB:4:5:21.17:15.8.7,14:15:21.17:22.5,(9.96,-3.75,;11.28,-4.52,;11.28,-6.06,;12.63,-6.83,;12.63,-8.37,;11.28,-9.14,;11.51,-13,;9.96,-13,;8.63,-12.23,;7.3,-13,;5.96,-12.23,;5.96,-10.69,;4.62,-9.93,;3.29,-10.7,;7.3,-9.91,;8.63,-10.68,;9.96,-9.91,;14.14,-11.49,;15.42,-12.33,;15.03,-13.8,;13.49,-13.89,;12.94,-12.45,;9.96,-8.37,;9.96,-6.83,)|
BDBM50122540 C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1C)N1CCN(C)CC1 |wU:2.2,9.27,8.8,1.0,c:5,t:3,TLB:15:16:24.1:3.8,0:1:3.8:16.11.10,THB:7:8:24.1:16.11.10,12:11:24.1:3.8,25:24:3.8:16.11.10,(13.17,-7.29,;12.07,-8.38,;8.24,-7.12,;8.24,-5.56,;8.24,-4.02,;9.57,-3.25,;10.9,-4.02,;10.9,-5.56,;9.57,-6.33,;9.78,-10.2,;8.24,-10.2,;6.91,-9.43,;5.58,-10.2,;4.25,-9.43,;4.25,-7.89,;5.58,-7.12,;6.91,-7.89,;2.9,-7.1,;2.9,-5.54,;1.57,-4.76,;.21,-5.51,;-1.11,-4.74,;.19,-7.08,;1.55,-7.87,;11.23,-9.64,;12.19,-10.86,;9.57,-1.71,;10.9,-.94,;10.9,.58,;9.57,1.37,;9.59,2.91,;8.24,.6,;8.24,-.94,)|
BDBM50122541 C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc23)N1C)=Nc1ccccc1 |w:26.31,wU:2.2,9.27,8.8,1.0,t:3,TLB:0:1:3.8:23.11.10,22:23:24.1:3.8,THB:12:11:24.1:3.8,25:24:3.8:23.11.10,7:8:24.1:23.11.10,(11.76,-4.31,;10.67,-5.4,;6.84,-4.14,;6.84,-2.59,;6.84,-1.06,;8.17,-.29,;9.51,-1.06,;9.51,-2.59,;8.17,-3.36,;8.39,-7.22,;6.84,-7.22,;5.52,-6.46,;4.19,-7.22,;2.85,-6.46,;2.85,-4.91,;1.51,-4.13,;.17,-4.87,;-1.16,-4.1,;-2.48,-4.85,;-2.49,-6.4,;-1.16,-7.18,;.17,-6.41,;4.19,-4.14,;5.52,-4.91,;9.82,-6.67,;10.78,-7.87,;8.17,1.25,;6.83,2.02,;5.52,1.26,;4.19,2.02,;4.17,3.56,;5.52,4.35,;6.84,3.58,)|
BDBM50122851 COc1ccc(CNC(=O)c2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
BDBM50037473 CCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
BDBM50037474 CCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4|
BDBM50037475 CCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:5:6:11:21.15.14,THB:20:21:11:6.8.7|
BDBM50037476 CCCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:5:6:11:21.15.14,THB:20:21:11:6.8.7|
BDBM50122533 C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC1CC1 |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:0:1:3.8:16.10.11,15:16:17.1:3.8,THB:7:8:17.1:16.10.11,12:11:17.1:3.8,18:17:3.8:16.10.11,(9.27,-1.06,;7.84,-1.61,;4.09,-.36,;4.08,1.18,;4.08,2.72,;5.41,3.49,;6.74,2.73,;6.75,1.18,;5.41,.41,;5.63,-3.46,;4.09,-3.46,;2.76,-2.69,;1.42,-3.46,;.09,-2.69,;.09,-1.14,;1.42,-.37,;2.76,-1.14,;7.08,-2.95,;8.06,-4.11,;7.54,-5.56,;6.35,-6.56,;7.8,-7.09,)|
BDBM50122534 C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(10.17,-1.85,;8.73,-2.41,;4.99,-1.17,;4.98,.37,;4.98,1.93,;6.31,2.7,;6.31,4.24,;7.63,1.93,;7.65,.39,;6.31,-.4,;6.54,-4.25,;5,-4.25,;3.66,-3.48,;2.32,-4.25,;.99,-3.48,;.99,-1.94,;-.34,-1.17,;2.32,-1.17,;3.66,-1.94,;7.98,-3.74,;8.96,-4.92,;8.43,-6.37,;7.26,-7.35,;8.71,-7.89,)|
BDBM50122535 C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1C |wU:2.2,10.21,9.9,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(10.16,-3.34,;8.73,-3.89,;4.99,-2.64,;4.97,-1.1,;4.97,.44,;6.3,1.2,;6.3,2.74,;7.63,.44,;7.65,-1.1,;6.3,-1.87,;6.54,-5.74,;5,-5.74,;3.66,-4.97,;2.32,-5.74,;.99,-4.97,;.99,-3.43,;-.34,-2.66,;2.32,-2.66,;3.66,-3.43,;7.97,-5.23,;8.96,-6.4,)|
BDBM50122544 FC1=CC[C@H]2[C@@H]3Cc4ccc(F)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(5.72,2.88,;5.73,1.34,;7.07,.57,;7.07,-.96,;5.73,-1.73,;5.95,-5.6,;4.4,-5.6,;3.08,-4.83,;1.75,-5.6,;.4,-4.83,;.4,-3.29,;-.69,-2.19,;1.75,-2.52,;3.08,-3.29,;4.4,-2.52,;8.58,-4.09,;9.87,-4.92,;9.47,-6.41,;7.93,-6.49,;7.39,-5.04,;4.4,-.96,;4.4,.57,)|
BDBM50043724 CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50135804 O=C(CCCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50135805 Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCCN3CC[C@]45CCCC[C@H]4[C@H]3Cc3ccc(O)cc53)c2c1 |TLB:18:19:27:36.30.29|
BDBM50135806 O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50135807 O=C(CCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50135808 Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
BDBM50135809 O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)[C@H]1C[C@H]1C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50135810 O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc(cc1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50135811 C(CCCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)CCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50135812 Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCCCCCN3CC[C@]45CCCC[C@H]4[C@H]3Cc3ccc(O)cc53)c2c1 |TLB:21:22:30:39.33.32|
BDBM50204771 Cc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
BDBM50174702 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
BDBM50169774 CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50273415 CN1C[C@@H]2Oc3ccc(O)cc3[C@@]22CCC[C@@H]1C2 |r|
BDBM50255954 CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc2cc[nH]c2c1
BDBM50255955 CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cc2ccccc2o1
BDBM50255956 CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
BDBM50017494 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2ccsc12
BDBM50139009 C[C@@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
BDBM50139011 C[C@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
BDBM50139012 C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
BDBM50139013 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50144227 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6](=O)-c1ccccc1)\c1ccccc1
BDBM50144229 CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:22:21:14.15.20:17.18|
BDBM50144232 CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccccc1 |(18.44,4.67,;17.1,5.44,;15.77,4.66,;15.78,3.12,;17.13,2.36,;14.43,5.43,;14.43,6.97,;13.1,4.64,;11.76,5.41,;10.43,4.62,;10.46,3.1,;11.79,2.33,;13.12,3.1,;9.12,2.33,;9.12,.79,;7.8,,;7.8,-1.54,;8.57,-.44,;9.79,-.44,;10.5,-1.68,;10.47,.02,;9.12,-2.31,;9.12,-3.85,;10.46,-4.62,;10.46,-6.16,;11.71,-7.07,;11.23,-8.53,;9.69,-8.53,;8.66,-9.66,;7.17,-9.35,;6.68,-7.89,;7.73,-6.75,;9.22,-7.07,;7.79,3.08,;7.79,4.61,;6.45,5.38,;5.12,4.61,;5.13,3.05,;6.47,2.3,)|
BDBM50144233 CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
BDBM50144240 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#8]-c1ccccc1)\c1ccccc1
BDBM50166055 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50166056 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50166057 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50166058 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50266858 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cccnc1 |r|
BDBM50266860 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccccc1 |r|
BDBM50261180 C[C@H]1C2Cc3cc4cc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
BDBM50105069 COc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
BDBM50105070 Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O
BDBM50105071 Clc1cc2OCOc2cc1COC(=O)NCCCn1c2ccccc2[nH]c1=O
BDBM50105072 Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50105073 O=C(OCc1cccnc1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50105075 Cc1ccc2[nH]c(=O)n(C3CCN(CC3)C(=O)OCc3cc4OCOc4cc3Cl)c2c1
BDBM50105076 O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1
BDBM50105077 O=C(OCc1ccc2OCOc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50105078 COc1cc(\C=C\C(=O)N2CCC(CC2)n2[c-]3ccccc3nc2=[OH+])c(cc1OC)[N+]([O-])=O
BDBM50105079 Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)N1C(=O)CNc2ccccc12
BDBM50105080 [O-][N+](=O)c1cc2OCOc2cc1CN1CCC(CC1)n1[c-]2ccccc2nc1=[OH+]
BDBM50273934 CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1c3cccc1O |r|
BDBM50273935 Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r|
BDBM50136598 COc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)cc1
BDBM50136599 CSc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)cc1
BDBM50136600 C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50136601 C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50105065 [O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC(=CC1)n1[c-]2ccccc2nc1=[OH+] |c:21|
BDBM50105066 Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
BDBM50105068 [O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1[c-]2ccccc2nc1=[OH+]
BDBM50122872 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
BDBM50095744 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(O)=O
BDBM50095745 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(O)=O)C(N)=O
BDBM50095746 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(O)=O)C(N)=O
BDBM50153131 CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC#N)S1(=O)=O |(1.34,-9.03,;-.02,-8.25,;-1.35,-9.05,;-.04,-6.71,;-1.37,-5.95,;-1.37,-4.4,;-.04,-3.62,;1.29,-4.4,;1.29,-5.95,;-.04,-2.07,;-1.39,-1.36,;-1.43,.21,;-.11,1.01,;1.25,.27,;1.27,-1.29,;-.14,2.55,;-1.49,3.27,;-2.8,2.46,;-4.13,3.2,;-4.18,4.75,;-2.87,5.54,;-1.51,4.79,;-.23,5.6,;1.13,4.86,;2.44,5.67,;3.8,4.95,;5.14,4.19,;1.17,3.34,;2.65,3.74,;1.57,1.85,)|
BDBM50153137 CCCCN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(6.25,4.77,;4.89,5.53,;3.59,4.72,;2.23,5.45,;.92,4.65,;-.44,5.38,;-1.72,4.6,;-3.08,5.33,;-4.39,4.54,;-4.34,2.99,;-3.01,2.24,;-1.7,3.04,;-.34,2.34,;-.32,.8,;-1.63,,;-1.61,-1.57,;-.25,-2.29,;1.06,-1.5,;1.04,.05,;-.25,-3.83,;1.08,-4.61,;1.08,-6.15,;-.25,-6.92,;-1.58,-6.15,;-1.58,-4.61,;-.23,-8.46,;1.13,-9.24,;-1.56,-9.26,;.97,3.13,;2.44,3.55,;1.36,1.64,)|
BDBM50185788 CN(C)C[C@@H](O)Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2ccc(F)cc12
BDBM50139015 C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
BDBM50185614 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)c1nc(co1)C(=O)OC
BDBM50155084 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\[#6]-1=[#6]-[#7](-[#8]-[#6])-[#6]=[#6]-[#6]1 |c:35,t:30|
BDBM50155085 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50155086 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(c1)C#N
BDBM50155087 CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CCC(C)=C)\c1cccc(c1)C(O)=O |THB:20:19:12.18.13:15.16|
BDBM50155088 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccc(c1)-[#6](-[#8])=O)\c1ccccc1
BDBM50155089 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccsc1)\c1ccc2-[#8]-[#6]-[#8]-c2c1
BDBM50155090 CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2Cc1ccsc1)\c1ccc(CO)cc1 |THB:20:19:12.13.18:16.15|
BDBM50155091 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#7](-[#6])-[#6]
BDBM50155095 CCNC(=O)c1ccc(cc1)C(c1nnn[nH]1)=C1CC2CCC(C1)N2Cc1ccoc1 |(7.83,3.66,;6.42,4.28,;5.08,3.52,;3.72,4.28,;3.72,5.83,;2.41,3.5,;2.41,1.95,;1.05,1.17,;-.29,1.95,;-.29,3.5,;1.05,4.26,;-1.63,1.17,;-2.95,1.93,;-4.33,1.31,;-5.35,2.44,;-4.58,3.78,;-3.08,3.45,;-1.63,-.38,;-.32,-1.14,;-.34,-2.71,;-1.03,-1.53,;-2.39,-1.53,;-2.99,-2.66,;-2.99,-1.12,;-1.68,-3.45,;-1.7,-4.99,;-.36,-5.8,;1.05,-5.18,;2.06,-6.33,;1.28,-7.65,;-.22,-7.32,)|
BDBM50155096 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc2-[#8]-[#6]-[#8]-c2c1
BDBM50155097 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#6](-[#8])=O
BDBM50155098 CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccsc1)\c1ccc(CO)cc1 |THB:20:19:12.18.13:15.16|
BDBM50155099 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccsc1)\c1cnccn1
BDBM50155100 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#7])c1
BDBM50155101 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(c1)-[#6](-[#6])=O
BDBM50210549 CNC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:20:19:8.24.9:11|
BDBM50210550 NC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |TLB:19:18:7.23.8:10|
BDBM50210551 Nc1nc2cc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3cc2o1 |TLB:17:16:5.21.6:8|
BDBM50210552 Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:18:17:6.5.7:9|
BDBM50210553 CNC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:20:19:8.25.9:11|
BDBM50210554 Nc1nc2cc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3cc2o1 |TLB:17:16:5.22.6:8|
BDBM50210555 NC(=O)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:19:18:7.24.8:10|
BDBM50210556 O=c1[nH]c2cc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3cc2o1 |TLB:17:16:5.22.6:8|
BDBM50247803 COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
BDBM50185789 CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
BDBM50185790 CCCCCCN1CCC(CC1)c1c[nH]c2ncccc12
BDBM50185791 N#Cc1ccc2[nH]cc(C3=CCN(CC3)C3Cc4cccc5cccc3c45)c2c1 |t:9|
BDBM50185792 Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
BDBM50185793 CC(C)(C)C1CCC(CC1)C(=O)N1CCC(CC1)c1c[nH]c2ncccc12 |(27.91,-29.65,;27.6,-28.14,;27.29,-26.63,;29.11,-27.83,;26.09,-28.44,;25.6,-29.91,;24.1,-30.22,;23.08,-29.07,;23.55,-27.6,;25.06,-27.3,;21.58,-29.39,;20.49,-28.3,;21.1,-30.85,;22.12,-32,;21.64,-33.45,;20.13,-33.77,;19.1,-32.63,;19.59,-31.16,;19.66,-35.24,;20.57,-36.49,;19.66,-37.75,;18.18,-37.27,;16.85,-38.04,;15.51,-37.27,;15.52,-35.72,;16.85,-34.95,;18.18,-35.71,)|
BDBM50185794 Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
BDBM50185795 Cc1[nH]c2ccc(Cl)cc2c1C1CCN(Cc2cccc3ccccc23)CC1
BDBM50185796 Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC1)C1Cc2cccc3cccc1c23
BDBM50185797 NC[C@@H](O)Cn1cc(C2=CCN(CC2)C2Cc3cccc4cccc2c34)c2cc(ccc12)C#N |t:8|
BDBM50216145 CO[C@@H]1O[C@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
BDBM50216138 CO[C@H]1O[C@@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
BDBM50216139 CO[C@H]1O[C@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
BDBM50216140 COC1OC(OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
BDBM50216142 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)c1nc(C)no1 |r|
BDBM50216143 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)C1=NCCO1 |t:29|
BDBM50216144 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)c1nc(C)no1
BDBM50125436 COc1ccc(Cl)cc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
BDBM50125437 FC(F)(F)c1ccc(Nc2cccn(C(CN3CCCC3)c3ccccc3)c2=O)cc1
BDBM50125438 OC1CCN(CC(c2ccccc2)n2cccc(-c3ccccc3)c2=O)C1
BDBM50125439 CC(=O)c1ccc(cc1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
BDBM50125440 FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCOCC2)c2ccccc2)c1=O
BDBM50125441 CC(=O)c1ccc(s1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
BDBM50125446 CCN(CC)c1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
BDBM50125447 CC(Nc1cccn(C(CN2CCCC2)c2ccccc2)c1=O)c1ccc(C)cc1
BDBM50125448 COc1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
BDBM50125449 Clc1ccc(c(Cl)c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50125450 OC(=O)COc1cccc(c1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
BDBM50125454 COc1ccc(OC)c(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
BDBM50125455 OC1CCN(CC(c2ccccc2)n2cccc(-c3cccc(OC(F)(F)F)c3)c2=O)C1
BDBM50125456 OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(F)cc3)c2=O)C1
BDBM50125457 OCc1cccc(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
BDBM50125459 Clc1ccc(c(Cl)c1)-c1cncn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50017238 CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017239 CC[C@@]12CCN(Cc3ccoc3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017240 CC[C@@]12CCN(CC3CCCC3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017241 CC[C@@]12CCN(Cc3ccco3)C[C@@H]1Oc1ccc(O)cc21
BDBM50017242 CC[C@@]12CCN(C)C[C@]1(C)Oc1ccc(O)cc21
BDBM50125460 Cc1cc(ccc1F)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
BDBM50125461 FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccc3OCC(=O)Nc3c2)c1=O
BDBM50180186 O=C(Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50180187 O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccccc1 |TLB:28:27:33.16.17:19|
BDBM50180188 O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC#C)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC#C)c2c1
BDBM50180189 O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50180190 Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 |TLB:16:15:5.22.4:7|
BDBM50006999 CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50180054 COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
BDBM50180191 O=C(CCC(=O)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Nc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50180192 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |c:16|
BDBM50173090 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
BDBM50173091 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
BDBM50007004 CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50007002 CN(C)[C@@H]1Cc2ccccc2C[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50018708 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50017507 CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12
BDBM50001468 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50017492 O=C(Cc1cccc2sccc12)O[C@@H]1CCCC[C@H]1N1CCCC1
BDBM50017493 CCCCCN(CCN1CCCC1)C(=O)Cc1cccc2sccc12
BDBM50017495 CN([C@@H]1CCCC[C@H]1N1CCC(CO)C1)C(=O)Cc1cccc2sccc12
BDBM50017496 O=C(Cc1cccc2sccc12)NCCN1CCCC1
BDBM50017497 CN([C@@H]1CCC[C@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
BDBM50017498 CN([C@@H]1CCCC[C@H]1N1CCC(CO)C1)C(=O)Cc1cccc2occc12
BDBM50017499 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1csc2ccccc12
BDBM50017509 CN(Cc1cccc2occc12)C(=O)[C@@H]1CCCC[C@H]1N1CCCC1
BDBM50017510 CN([C@H]1CCCC[C@@H]1N1CCC(COC(=O)CCC(=O)OCC2CCN(C2)[C@@H]2CCCC[C@H]2N(C)C(=O)Cc2cccc3occc23)C1)C(=O)Cc1cccc2occc12
BDBM50001707 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
BDBM50018731 CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1 |TLB:16:15:1:3.4.10|
BDBM50001714 CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|
BDBM50095706 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50017503 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2[nH]ccc12
BDBM50017504 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=S)Cc1cccc2sccc12
BDBM50017505 O=C(Cc1cccc2sccc12)N[C@@H]1CCCC[C@H]1N1CCCC1
BDBM50017506 O=C(Cc1cccc2sccc12)N1CC2CCCN2[C@@H]2CCCC[C@@H]12
BDBM50003571 CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2|
BDBM50204762 O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCc2ccccc12 |w:17.19|
BDBM50204763 O=C1NCN(c2ccccc2)C11CCN(Cc2cccnc2)CC1
BDBM50204764 CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccc(Cl)cc12 |w:5.5|
BDBM50204765 CC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
BDBM50204766 Clc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
BDBM50204767 Clc1ccccc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50204768 Fc1ccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c2c1 |w:8.8|
BDBM50017698 CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
BDBM50017702 Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
BDBM50204769 Fc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |w:6.12|
BDBM50068664 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50042660 COC(=O)CC(SCC(N)C(O)=O)C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |THB:28:39:19:34.32.33,24:23:19:34.32.33|
BDBM50042662 COC(=O)CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |THB:37:36:32:47.45.46,41:52:32:47.45.46|
BDBM50095754 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)C(O)=O
BDBM50092661 CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc(OC)cc1
BDBM50092662 CCN(CC)C(=O)c1ccc(cc1)C(C1CCCCC1)N1CCNCC1
BDBM50092664 CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2cccnc2c1
BDBM50092665 CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc(F)c1
BDBM50092668 CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1
BDBM50143606 Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:10:9:5.6.7:17.15.16|
BDBM50199865 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50278385 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@]45[C@H](CCC[C@@]34O)Oc1c25 |r|
BDBM50278386 CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r,TLB:0:1:12.22.13:10|
BDBM50259143 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
BDBM50259144 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Br)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
BDBM50259145 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(C)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
BDBM50216133 CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
BDBM50216134 CO[C@H]1O[C@@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7|
BDBM50216135 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@](C)(CCC3CCOC3)[C@@H](CC[C@@]12C)C(O)=O
BDBM50216136 CO[C@@H]1C[C@H]([C@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
BDBM50092669 CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cccnc12
BDBM50049803 CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15|
BDBM50199893 C[C@H]1[C@@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1 |r|
BDBM50027790 Oc1c(Br)cc(Br)cc1C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50027791 CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1 |TLB:16:15:1:4.10.3,9:10:1:15.14.13|
BDBM50185798 Clc1cccc2c(c[nH]c12)C1CCN(CC2CCCCCCC2)CC1
BDBM50185799 Cn1cc(C2CCN(CC2O)C2Cc3cccc4cccc2c34)c2cccnc12
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50185800 C1C(N2CCC(CC2)c2c[nH]c3ncccc23)c2cccc3cccc1c23
BDBM50185801 CC(=O)OC1CN(CCC1c1cn(C)c2ncccc12)C1Cc2cccc3cccc1c23
BDBM50006994 Cl.CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50210407 CC(C)CCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:5.4|
BDBM50210408 COCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:3.2|
BDBM50189918 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(Cc2nc3ccccc3[nH]2)C1=O
BDBM50189920 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O |r|
BDBM50189921 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)Nc2ccccc2)C1=O
BDBM50002310 CCCN(CCc1ccccc1)CCc1cccc(O)c1
BDBM50006996 CN([C@@H]1Cc2ccccc2C[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50006997 CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50006998 CN([C@@H]1Cc2cc3ccccc3cc2C[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50092675 CCN(CC)C(=O)c1ccc(cc1)C(N1CCCNCC1)c1ccccc1
BDBM50092676 CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2CC(C)(C)Oc12
BDBM50092680 CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2ccccc12
BDBM50212291 Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
BDBM50212292 COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
BDBM50212293 Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
BDBM50212294 COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3C)c2c1)[nH]c1ccccc51 |TLB:17:16:5.18.6:8|
BDBM50212295 CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16|
BDBM50212296 Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
BDBM50212297 Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
BDBM50212298 COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8|
BDBM50212299 CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
BDBM50278387 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5C(N)=O |r|
BDBM50037581 CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
BDBM50096714 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
BDBM50096715 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(N)=O
BDBM50125463 COc1cccc(OC)c1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O |(3.61,-3.48,;4.94,-4.26,;4.94,-5.81,;3.61,-6.58,;3.61,-8.14,;4.94,-8.91,;6.27,-8.14,;7.61,-8.89,;7.61,-10.44,;6.27,-6.58,;7.61,-5.81,;7.61,-4.26,;8.96,-3.49,;10.3,-4.26,;10.3,-5.81,;11.63,-6.58,;12.96,-5.81,;14.32,-6.58,;14.48,-8.12,;16,-8.43,;16.77,-7.09,;18.29,-6.93,;15.72,-5.95,;11.63,-8.12,;10.3,-8.89,;10.3,-10.45,;11.63,-11.22,;12.96,-10.45,;12.96,-8.89,;8.96,-6.58,;8.94,-8.12,)|
BDBM50210410 OC1(CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 |w:7.7|
BDBM50210411 OC1(CCN(CC1)C(c1ccccc1)c1ccccn1)c1ccccc1 |w:7.7|
BDBM50210412 COc1ccc(cc1)C(N1CCC(O)(CC1)c1ccccc1)c1ccc(OC)cc1
BDBM50210413 OC1(CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(F)(F)F)c1ccccc1 |w:7.8|
BDBM50210414 OC1(CCN(CC1)C(c1ccccc1)c1cccc(Cl)c1)c1ccccc1 |w:7.7|
BDBM50210415 OC1(CCN(CC1)C(c1ccccc1F)c1ccccc1F)c1ccccc1
BDBM50120056 C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc13)C2N
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|
BDBM50175730 O=C(Nc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccn1)c1ccccc1
BDBM50175731 CCNC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50127356 O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1cccc(c1)C#N)Nc1ccccc1
BDBM50127357 COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1
BDBM50127358 O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1
BDBM50127359 O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc(cc1)C#N)Nc1ccccc1
BDBM50127360 CC(=O)Nc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
BDBM50127361 CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)c1ccccc1
BDBM50127362 COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O
BDBM50127363 O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccsc1)Nc1ccccc1
BDBM50127364 COc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1O
BDBM50127365 O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccoc1)Nc1ccccc1
BDBM50273413 CN1C[C@@H]2Oc3c(cccc3O)[C@@]22CCC[C@@H]1C2 |r|
BDBM50076501 COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O
BDBM50210379 C(OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
BDBM50125682 CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(C(O)C(O)C1O)C(O)=O)ccc5O |c:16,THB:0:1:12:8.9.10|
BDBM50120057 CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
BDBM50120058 CO[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
BDBM50120059 CS[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
BDBM50120060 CC1(C)[C@H](N)[C@@H](Cc2ccc(O)cc12)S(C)(=O)=O
BDBM50120061 CC[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
BDBM50120062 CC1(C)[C@H](N)[C@H](S)Cc2ccc(O)cc12
BDBM50273414 Oc1cccc2c1O[C@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3 |r|
BDBM50273416 Oc1ccc2O[C@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1 |r|
BDBM50266918 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2c1 |r|
BDBM50269285 COC(=O)[C@@H]1C[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50200608 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC3CC3)c2=O)C(C)C)c1 |w:9.8|
BDBM50200609 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCOC(C)=O)c2=O)C(C)C)c1 |w:9.8|
BDBM50200610 CCC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
BDBM50121314 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6@@H](-[#6]-[#6]-[#6@@H]-1C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
BDBM50121315 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
BDBM50076009 CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16|
BDBM50128411 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
BDBM50153148 O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1
BDBM50272376 O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(Oc3ccc(cc3)[N+]([O-])=O)cc12 |r|
BDBM50272377 Nc1ccc(Oc2ccc3C[C@H]4N(CC5CCC5)CC[C@@]5(CCCC[C@@]45O)c3c2)cc1 |r|
BDBM50087460 COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:4:5:44:8.14.13,46:27:38:30.36.35,25:26:38:30.36.35,18:19:44:8.14.13|
BDBM50276444 COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7|
BDBM50276445 COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1cccc(OC)c1 |c:7|
BDBM50276446 COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7|
BDBM50204790 Clc1ccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c2c1 |w:8.8|
BDBM50059997 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@@]1(CCc2ccccc2C1)C[C@@]35O |TLB:33:32:18.4.5:7.13.12,THB:17:18:32:7.13.12,8:7:32:18.4.5|
BDBM50045216 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O |TLB:26:9:12:1.3.2,7:8:12:1.3.2|
BDBM50095752 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(O)=O)C(N)=O
BDBM50274519 CN([C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:8.24.7:17.19.18|
BDBM50007344 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50259146 Cc1ccnc(c1)C1(O)C2CCC1CN(C2)C(c1ccccc1Cl)c1ccccc1Cl |TLB:5:7:14.15.13:10.11,THB:8:7:14.15.13:10.11,16:14:7:10.11|
BDBM50259147 COC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
BDBM50278265 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O |r,TLB:10:9:7.24.6:22|
BDBM50195674 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
BDBM50195675 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCCc1ccc(Cl)cc1
BDBM50195676 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCCc1ccc(Cl)cc1
BDBM50195677 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
BDBM50195673 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
BDBM50210403 OC1(CCN(CC1)C(Cc1ccccc1)c1ccccc1)c1ccccc1 |w:7.8|
BDBM50210404 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1Cl)c1ccccc1 |w:7.7|
BDBM50210405 CCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:3.2|
BDBM50259142 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
BDBM50195678 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
BDBM50195665 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1
BDBM50195666 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
BDBM50195667 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCCc1ccc(Cl)cc1
BDBM50195668 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\Cc1ccc(Cl)cc1
BDBM50195669 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC\C=C\c1ccc(Cl)cc1
BDBM50195670 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\Cc1ccc(Cl)cc1
BDBM50195671 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C\C=C\c1ccc(Cl)cc1
BDBM50195672 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1
BDBM50235938 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccn1 |r|
BDBM50138010 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc31
BDBM50008984 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50155092 CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1cnc[nH]1)c1cccc(NC(C)=O)c1 |(8.64,3.46,;7.32,4.22,;5.98,3.44,;4.63,4.2,;4.6,5.74,;3.31,3.44,;1.96,4.2,;.63,3.42,;.63,1.9,;1.96,1.12,;3.31,1.9,;-.7,1.12,;-.71,-.42,;-2.06,-1.17,;-2.06,-2.7,;-1.46,-1.59,;-.11,-1.59,;.58,-2.74,;.61,-1.2,;-.74,-3.5,;-.77,-5.03,;.55,-5.82,;1.95,-5.2,;2.97,-6.35,;2.18,-7.68,;.7,-7.34,;-2.02,1.9,;-2.02,3.44,;-3.35,4.2,;-4.69,3.44,;-4.69,1.9,;-6,1.14,;-6,-.38,;-4.69,-1.13,;-7.32,-1.13,;-3.35,1.12,)|
BDBM50155093 CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2Cc1ccccn1)\c1ccc(cc1)C(=O)N(C)C |THB:20:19:12.13.18:15.16|
BDBM50155094 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)S([#6])(=O)=O
BDBM50007000 CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007001 CN([C@@H]1Cc2cc3ccccc3cc2C[C@H]1N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50007674 C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
BDBM50130293 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50087456 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O |TLB:41:9:12:1.3.2,7:8:12:1.3.2,THB:22:21:17:35.33.34,26:40:17:35.33.34|
BDBM50087457 COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(CC8N(C)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:43:27:35:30.33.32,4:5:41:8.14.13,25:26:35:30.33.32,18:19:41:8.14.13|
BDBM50277118 C[C@H]1C2Cc3ccc4nn[nH]c4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
BDBM50245974 NCC1(Cc2ccc(F)cc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:1:2:17:13.14,3:2:17:13.14|
BDBM50245975 CC(=O)NCC1(Cc2ccc(F)cc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:4:5:20:16.17,6:5:20:16.17|
BDBM50245977 NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1 |r,TLB:1:2:9:5.6,25:2:9:5.6|
BDBM50245978 CCNCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccc(OC)n1 |r,TLB:3:4:11:7.8|
BDBM50244275 Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1C
BDBM50092690 CCN(CC)C(=O)c1ccc(cc1)C(N(C)CCNC)c1ccccc1
BDBM50092683 CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cnccc12
BDBM50204770 Fc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
BDBM50204772 CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2cc(Cl)c(Cl)cc12 |w:5.5|
BDBM50204773 Fc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1F
BDBM50204774 O=C1NCN(c2ccccc2)C11CCN(CC1)C1c2ccccc2CCc2ccccc12
BDBM50204775 O=C1NCN(c2ccccc2)C11CCN(CC1)C(C1CCCC1)c1ccccc1 |w:17.19|
BDBM50204776 CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccc(F)cc12 |w:5.5|
BDBM50204777 O=C1NCN(c2ccccc2)C11CCN(Cc2ccccn2)CC1
BDBM50204778 Clc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |w:6.12|
BDBM50204779 Clc1cccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c12 |w:9.9|
BDBM50204780 O=C1NCN(c2ccccc2)C11CCN(CC2CCCCC2)CC1
BDBM50204781 Fc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
BDBM50204782 Clc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
BDBM50204783 CCCCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
BDBM50204789 Fc1cccc(c1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(F)c1
BDBM50092671 CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc(OC)c1
BDBM50092673 CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2ccccc2c1
BDBM50210385 Cc1ccc(cc1)C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
BDBM50210386 OC1(CCN(CC1)C(C1CCCC1)c1ccccc1)c1ccccc1 |w:7.7|
BDBM50210387 Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1C
BDBM50210388 COC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
BDBM50210389 COc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1OC
BDBM50210391 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1Br)c1ccccc1 |w:7.7|
BDBM50210392 Cc1cccc(c1)C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
BDBM50210393 COc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
BDBM50092681 CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)(C)NCC1C)c1cccc(OC)c1
BDBM50084275 CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27|
BDBM50084276 CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3|
BDBM50084277 CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:29:28:5:33.17.16,33:25:7.6:4.3,22:33:5:28.26.27,23:24:7.6:4.3,6:5:33.17.16:28.26.27,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:33.17.16:28.26.27|
BDBM50084278 CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:27:26:5:31.15.14,31:23:7.6:4.3,11:7:23.22:4.3,20:31:5:26.24.25,21:22:7.6:4.3,6:5:31.15.14:26.24.25,THB:4:5:31.15.14:26.24.25,24:23:7.6:4.3|
BDBM50127353 Oc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1
BDBM50127354 COc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
BDBM50127355 CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1
BDBM50121316 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
BDBM50259098 [H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:2.3|
BDBM50259100 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
BDBM50259101 Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCNC2=O)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
BDBM50037134 Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
BDBM50095738 CC(=O)C(N)CCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50033649 CN1CCC23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc5O |TLB:17:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2|
BDBM50138014 Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50144301 CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
BDBM50144302 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccc(-[#8])cc1
BDBM50092999 NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21|
BDBM50093000 CCCCC(=N)NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:23:22:30:18.19.20,17:18:30:22.28.27,31:30:18.19.20:22.28.27|
BDBM50016846 Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC=C)c2c1 |TLB:8:7:19.4.5:15.13.14|
BDBM50026752 CCOC(=O)C1(CCN(C)CC1)c1ccccc1
BDBM50265491 CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56|
BDBM50265492 CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:60|
BDBM50095739 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
BDBM50095740 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)C(O)=O
BDBM50095741 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
BDBM50095742 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
BDBM50095743 CC(=O)C(N)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
BDBM50179073 C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
BDBM50210416 OC1(CCN(CC1)C(C(=O)Nc1c(F)cccc1F)c1ccccc1)c1ccccc1 |w:7.20|
BDBM50210417 OC1(CCN(CC1)C(c1ccccc1)c1cccnc1)c1ccccc1 |w:7.7|
BDBM50210418 CCCCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:5.4|
BDBM50210419 CCOCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:4.3|
BDBM50083231 O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1
BDBM50083232 CCn1c2ccccc2n(C2CCN(CC3CCCCCCC3)CC2)c1=O
BDBM50077066 CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1ccccc1
BDBM50095705 CC#CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
BDBM50083926 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:16:15:1:4.10.3|
BDBM50162622 COC1[C@H](NC(=O)CC2OC(CO)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:20|
BDBM50162624 COC1[C@H](SC2OC(CO)C(O)C(O)C2O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:17|
BDBM50162625 COC1[C@H](NC(=O)CC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:52|
BDBM50162626 COC1[C@H](SC2OC(C(O)C(O)C2O)C(O)=O)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C |c:18|
BDBM50085020 [H][C@]12Cc3ccc(Nc4ccccc4)cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |THB:21:20:25:15.3.2,14:15:25:20.18.19|
BDBM50001459 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50001460 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50001462 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50144235 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144236 CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2)\c1ccccc1
BDBM50144237 CCN(CC)C(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1 |THB:22:21:14.20.15:18.17|
BDBM50144238 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1
BDBM50144239 [#6]-[#6]-[#7](-[#6]-[#6]-[#8])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50166050 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50166051 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1[C@H](Cc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50166053 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50059828 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCC1
BDBM50033531 CCC(=O)N(C1CCN(CC(O)c2ccccc2)CC1C)c1ccccc1
BDBM50033532 CCC(=O)N([C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
BDBM50033533 CCC(=O)N([C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
BDBM50033534 CCC(=O)N([C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
BDBM50033535 CCC(=O)N([C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
BDBM50033536 CCC(=O)N([C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
BDBM50033537 CCC(=O)N([C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
BDBM50059827 CCN(C)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50135793 O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
BDBM50135794 O=C(CCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50122530 C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCOCC2)N1C)N1CCOCC1 |wU:2.2,9.26,8.8,1.0,c:5,t:3,TLB:0:1:3.8:16.11.10,15:16:23.1:3.8,THB:12:11:23.1:3.8,7:8:23.1:16.11.10,24:23:3.8:16.11.10,(11.11,-4.34,;10.03,-5.44,;6.19,-4.18,;6.19,-2.62,;6.19,-1.08,;7.52,-.31,;8.87,-1.08,;8.87,-2.62,;7.52,-3.39,;7.75,-7.26,;6.19,-7.26,;4.86,-6.49,;3.53,-7.26,;2.2,-6.49,;2.2,-4.95,;3.53,-4.18,;4.86,-4.95,;.87,-4.18,;.87,-2.64,;-.46,-1.87,;-1.8,-2.62,;-1.81,-4.16,;-.47,-4.95,;9.18,-6.7,;10.13,-7.91,;7.52,1.23,;8.87,2,;8.87,3.54,;7.54,4.31,;6.19,3.54,;6.19,2,)|
BDBM50122531 Oc1ccc2C[C@H]3[C@@H]4CCC(=O)C=C4[C@@H]([C@@H]4CCCN34)c2c1 |wU:6.20,14.14,7.13,15.21,c:12,TLB:8:7:19.15:20.4.5,21:20:19.15:13.7,THB:16:15:13.7:20.4.5,3:4:19.15:13.7,18:19:13.7:20.4.5,(-.13,-2.89,;1.2,-3.66,;1.2,-5.2,;2.54,-5.97,;3.85,-5.2,;5.19,-5.97,;6.74,-5.97,;6.52,-2.12,;7.85,-1.35,;7.85,.2,;6.52,.97,;6.5,2.51,;5.19,.2,;5.19,-1.35,;5.19,-2.89,;9.37,-4.45,;10.65,-5.31,;10.25,-6.78,;8.71,-6.85,;8.17,-5.42,;3.85,-3.66,;2.54,-2.89,)|
BDBM50122532 C1C[C@H]2[C@@H]3C4=CC=CC[C@H]4[C@H](Cc4ccccc34)N2C1 |wU:10.20,3.3,9.9,2.21,c:6,t:4,TLB:16:17:18.2:4.9,THB:13:12:18.2:4.9,19:18:4.9:17.11.12,1:2:4.9:17.11.12,8:9:18.2:17.11.12,(8.93,-5.62,;9.33,-4.14,;8.05,-3.29,;3.86,-1.71,;3.86,-.17,;3.86,1.38,;5.19,2.15,;6.53,1.38,;6.53,-.17,;5.19,-.94,;5.41,-4.81,;3.86,-4.81,;2.53,-4.04,;1.2,-4.81,;-.14,-4.04,;-.14,-2.5,;1.2,-1.71,;2.53,-2.48,;6.85,-4.26,;7.41,-5.7,)|
BDBM50153121 CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CNS1(=O)=O |(7.68,-3.52,;7.37,-2.01,;8.54,-.99,;5.92,-1.52,;4.78,-2.53,;3.31,-2.06,;3,-.55,;4.15,.48,;5.61,-.01,;1.55,-.05,;1.24,1.44,;-.23,1.92,;-1.37,.89,;-1.05,-.62,;.41,-1.1,;-2.82,1.37,;-3.81,.18,;-3.27,-1.27,;-4.23,-2.46,;-5.77,-2.21,;-6.31,-.77,;-5.35,.44,;-5.89,1.87,;-4.9,3.06,;-3.37,2.81,;-1.84,2.96,;-3.52,4.37,)|
BDBM50153122 CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC(=O)OC(C)(C)C)S1(=O)=O |(-2.24,-9.73,;-.9,-8.94,;.44,-9.71,;-.93,-7.4,;-2.26,-6.62,;-2.26,-5.08,;-.93,-4.31,;.41,-5.08,;.41,-6.62,;-.94,-2.77,;-2.28,-2.04,;-2.31,-.48,;-1,.32,;.36,-.43,;.38,-1.97,;-1.02,1.86,;-2.38,2.56,;-3.69,1.77,;-5.02,2.52,;-5.07,4.06,;-3.76,4.86,;-2.4,4.11,;-1.11,4.9,;.24,4.18,;1.55,4.98,;2.91,4.25,;2.95,2.7,;4.22,5.04,;5.57,4.32,;4.85,2.96,;6.91,3.55,;6.34,5.65,;.29,2.66,;1.76,3.06,;.68,1.16,)|
BDBM50155064 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#6](-[#6])=O
BDBM50200598 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)C)c2=O)C(C)C)c1 |w:9.8|
BDBM50200599 COC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21|
BDBM50200600 COCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:17.18|
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|
BDBM50164447 NC(CCS(O)(=O)=O)C(O)=O
BDBM50027808 CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50000787 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
BDBM50000788 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
BDBM50017686 CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
BDBM50128078 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
BDBM50128079 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
BDBM50128080 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50128081 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
BDBM50128087 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
BDBM50128088 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50128089 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O
BDBM50153132 CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CCO)S1(=O)=O |(1.33,-9.05,;-.02,-8.29,;-1.35,-9.08,;-.04,-6.75,;-1.38,-5.98,;-1.38,-4.43,;-.04,-3.66,;1.31,-4.43,;1.31,-5.98,;-.04,-2.12,;-1.39,-1.4,;-1.42,.16,;-.11,.96,;1.24,.21,;1.27,-1.33,;-.14,2.49,;-1.49,3.2,;-2.79,2.4,;-4.13,3.14,;-4.17,4.68,;-2.86,5.48,;-1.52,4.74,;-.23,5.53,;1.12,4.82,;2.43,5.6,;3.78,4.87,;5.09,5.69,;1.17,3.28,;2.64,3.69,;1.56,1.8,)|
BDBM50153134 CCCC1CCC(CC1)N1CCC(CC1)N1c2ccccc2CNS1(=O)=O |(9.9,-1.55,;8.44,-1.05,;7.29,-2.09,;5.82,-1.6,;4.68,-2.62,;3.22,-2.13,;2.92,-.62,;4.05,.4,;5.52,-.09,;1.46,-.14,;.31,-1.18,;-1.14,-.68,;-1.45,.82,;-.32,1.84,;1.15,1.35,;-2.91,1.28,;-3.89,.09,;-3.36,-1.34,;-4.31,-2.53,;-5.86,-2.27,;-6.39,-.85,;-5.41,.35,;-5.97,1.8,;-4.99,2.99,;-3.45,2.73,;-1.93,2.87,;-3.59,4.27,)|
BDBM50153135 O=S1(=O)NCc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
BDBM50155076 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccnc1
BDBM50155077 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#7+](-[#8-])=O
BDBM50155078 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#6](=O)-[#7](-[#6])-[#6]
BDBM50155079 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccncc1
BDBM50155080 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](\c1c(-[#6])noc1-[#6])=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1
BDBM50155081 CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1ccoc1)c1cccc(c1)-c1nnn[nH]1 |(9.09,3.52,;7.66,4.15,;6.31,3.38,;4.97,4.14,;4.94,5.69,;3.62,3.36,;3.62,1.8,;2.28,1.02,;.93,1.8,;.93,3.36,;2.28,4.14,;-.41,1.02,;-.43,-.53,;.93,-1.31,;.89,-2.86,;.19,-1.7,;-1.17,-1.7,;-1.8,-2.83,;-1.78,-1.28,;-.46,-3.62,;-.48,-5.18,;.84,-5.96,;2.26,-5.35,;3.28,-6.52,;2.49,-7.84,;.98,-7.49,;-1.73,1.78,;-1.73,3.31,;-3.05,4.07,;-4.37,3.31,;-4.37,1.78,;-3.05,1.01,;-5.69,1.01,;-5.86,-.52,;-7.34,-.84,;-8.09,.48,;-7.08,1.62,)|
BDBM50155082 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#6]-[#8])c1
BDBM50128075 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
BDBM50128076 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50128073 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O
BDBM50155083 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(-[#6]-[#8])cc1
BDBM50154199 CN(CC1CC1)C1CCc2ccc(O)cc2C1(C)C
BDBM50154200 CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
BDBM50154201 CC1(C)C(CCc2ccc(O)cc12)NCC1CC1
BDBM50154202 CC1(C)C(CCc2ccc(O)cc12)NCC=C
BDBM50154203 CN(C)C1CCc2ccc(O)cc2C1(C)C
BDBM50154204 CCCNC1CCc2ccc(O)cc2C1(C)C
BDBM50155102 CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccccn1)\c1ccc(cc1)C(=O)N(C)C |THB:20:19:12.18.13:16.15|
BDBM50155112 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#6](-[#7])=O
BDBM50155113 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cncnc1
BDBM50073520 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(N)=O
BDBM50073521 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O
BDBM50073522 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
BDBM50073523 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
BDBM50073524 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CO)C(N)=O
BDBM50073525 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1OC(C)=O
BDBM50073526 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)O[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
BDBM50155111 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccn1)\c1cccc(-[#7]-[#6](-[#6])=O)c1
BDBM50155115 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccnc1)\c1ccccc1
BDBM50155116 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#6]-[#7])c1
BDBM50155117 CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccsc1)\c1cccc(c1)-c1nnn[nH]1 |THB:20:19:12.18.13:15.16|
BDBM50155118 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cnccn1
BDBM50155119 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#7]-[#6](-[#6])=O)c1
BDBM50155114 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(c1)-[#6](-[#8])=O
BDBM50154205 CCCN(C)C1CCc2ccc(O)cc2C1(C)C
BDBM50154207 CC1(C)C(CCc2ccc(O)cc12)N(C\C=C\c1ccccc1)C\C=C\c1ccccc1
BDBM50154208 CC1(C)C(CCc2ccc(O)cc12)N(CC1CC1)CC1CC1
BDBM50154209 CN(C\C=C\c1ccccc1)C1CCc2ccc(O)cc2C1(C)C
BDBM50154210 CN(CC=C)C1CCc2ccc(O)cc2C1(C)C
BDBM50154211 CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC\C=C\c1ccccc1
BDBM50154212 CCCN(CCC)C1CCc2ccc(O)cc2C1(C)C
BDBM50154213 CC1(C)C(CCc2ccc(O)cc12)N(CC=C)CC=C
BDBM50154214 CC1(C)C(CCc2ccc(O)cc12)NC\C=C\c1ccccc1
BDBM50007377 CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50155062 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccccn1
BDBM50155063 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#6]-[#6]-[#6](-[#8])=O)c1
BDBM50155065 CCNC(=O)c1ccc(cc1)C(\Br)=C1/C[C@@H]2CC[C@H](C1)N2Cc1ccoc1 |THB:21:20:13.19.14:16.17|
BDBM50155066 CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CCC(C)=C)\c1cccc(c1)C(C)=O |THB:20:19:12.18.13:15.16|
BDBM50155067 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cc(cc(c1)-[#7+](-[#8-])=O)-[#6](-[#8])=O
BDBM50155068 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(-[#8])c(-[#8]-[#6])c1
BDBM50155069 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](\C#N)=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1
BDBM50001683 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
BDBM50136123 CCCNC(NCC1CC1)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |w:10.11,TLB:19:20:32:24.30.29,38:21:32:24.30.29|
BDBM50136124 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccc(Cl)cc4)cc2c1C[C@@]35O |TLB:17:18:43:7.13.12,3:4:43:7.13.12|
BDBM50136125 CCCNC(NCCC)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |wU:31.35,wD:30.32,16.16,TLB:18:19:31:23.29.28,37:20:31:23.29.28,(7.91,-5,;6.6,-4.18,;6.65,-2.66,;5.34,-1.84,;5.4,-.29,;6.75,.42,;8.06,-.38,;9.41,.34,;10.72,-.47,;4.09,.51,;2.85,-.4,;3.06,-1.96,;1.83,-2.88,;.42,-2.29,;-.97,-2.95,;-2.03,-1.83,;-3.59,-1.85,;-5.1,-2.69,;-6.65,-1.92,;-5.92,-.57,;-6.72,.75,;-5.99,2.1,;-4.45,2.14,;-3.7,3.49,;-2.72,4.67,;-3.24,6.11,;-2.96,7.63,;-4.4,7.11,;-5.09,2.63,;-5.16,.81,;-4.38,-.54,;-3.63,.83,;-2.54,1.93,;-2.09,.86,;-1.3,-.47,;.23,-.75,;1.45,.18,;-8.25,.72,;-9,-.65,;-8.2,-1.97,;-8.94,-3.31,)|
BDBM50018790 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O |TLB:39:9:12:1.3.2,7:8:12:1.3.2|
BDBM50175920 O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1
BDBM50175929 O=C1NCN(c2ccccc2)C11CCN(Cc2ccccc2)CC1
BDBM50175940 Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50175941 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccnc1
BDBM50175942 O[C@]1(CCOC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
BDBM50175943 O[C@]1(COCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
BDBM50175944 Cc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50175945 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(Cl)cc1
BDBM50175946 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
BDBM50175951 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(Cl)c1
BDBM50175952 COc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50099893 Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099894 CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099895 C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
BDBM50021560 O[C@H]1C=CC2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |c:2,TLB:3:4:22.7.6:18.16.17|
BDBM50083164 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:30:31:35:29.28.34,THB:30:29:35:31.36.32|
BDBM50194264 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
BDBM50175955 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
BDBM50175956 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
BDBM50175958 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)cc1
BDBM50175959 COc1cccc(c1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50175960 COc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1
BDBM50175961 O[C@]1(CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
BDBM50175962 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1)c1ccc(F)cc1
BDBM50095692 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095693 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC#N |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
BDBM50095694 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095696 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095697 CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095699 CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095700 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095702 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095703 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095708 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50095712 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50028147 CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:25.24:4.3|
BDBM50007102 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3|
BDBM50175947 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccncc1
BDBM50175949 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccn1
BDBM50175953 O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(F)cc1
BDBM50175510 CCC(=O)N(CCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
BDBM50166617 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
BDBM50209670 O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:53:52:41.58.42:44|
BDBM50209671 O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC(=O)CCCCCCCCC(=O)Oc5ccc6C[C@@H]7C8CCCC[C@]8(CCN7CC7CCC7)c6c5)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |TLB:41:40:29.46.30:32|
BDBM50195657 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCCc1ccc(Cl)cc1
BDBM50195658 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1
BDBM50195659 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
BDBM50195660 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
BDBM50195661 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C\C=C\c1ccc(Cl)cc1
BDBM50195662 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\Cc1ccc(Cl)cc1
BDBM50195663 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1
BDBM50195664 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
BDBM50166618 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1
BDBM50166619 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
BDBM50166620 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1
BDBM50166621 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(NS(C)(=O)=O)cc1
BDBM50166622 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNS(C)(=O)=O)c1
BDBM50166623 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
BDBM50166624 CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
BDBM50166626 CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
BDBM50135796 COC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50135797 O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50135798 O=C(CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50173098 COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50269293 COC(=O)[C@@H]1C[C@H](OC(=O)Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50268462 O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r|
BDBM50200611 COc1ccc(C)c(OC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)C(C)C)c1
BDBM50200612 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCO)c2=O)C(C)C)c1 |w:9.8|
BDBM50274482 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.24.8:17.19.18,THB:6:5:9.24.8:17.19.18|
BDBM50255850 CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
BDBM50210557 Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |THB:18:17:6.5.7:9|
BDBM50210558 O=c1[nH]c2cc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3cc2o1 |TLB:17:16:5.21.6:8|
BDBM50193536 COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13|
BDBM50268466 Oc1cccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)c1 |r|
BDBM50244247 Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1Cl
BDBM50127348 O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc2ccccc2c1)Nc1ccccc1
BDBM50127349 CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCO1
BDBM50127350 COc1cc(O)ccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
BDBM50127351 CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)OC(C)(C)C
BDBM50127352 CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@@H]1CCCO1
BDBM50216983 CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8|
BDBM160931 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:17:16:12.13:15.10.9,THB:8:9:16:12.13|
BDBM160933 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:17:16:12.13:15.10.9,THB:8:9:16:12.13|
BDBM50144287 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1ccc(-[#8])cc1
BDBM50144288 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144289 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1ccc(-[#8])cc1
BDBM50144290 [#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144291 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1ccc(-[#8])cc1
BDBM50268528 Fc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
BDBM50266827 C[C@@H](O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(C)(C)S)C(O)=O |r,wU:40.51,26.38,11.11,67.72,wD:7.7,3.3,58.61,52.57,15.22,1.1,(40.38,-16.39,;41.72,-15.62,;43.06,-16.39,;41.72,-14.08,;40.39,-13.31,;39.06,-14.08,;39.06,-15.62,;37.72,-13.31,;36.39,-14.08,;36.39,-15.62,;37.72,-16.39,;35.06,-16.39,;35.06,-17.93,;33.72,-18.7,;32.39,-17.92,;33.72,-20.24,;35.06,-21.01,;36.39,-20.24,;37.72,-21,;39.05,-20.23,;40.39,-21,;40.39,-22.54,;41.72,-20.23,;32.39,-21.01,;32.39,-22.55,;33.72,-23.31,;31.06,-23.31,;29.72,-22.54,;29.72,-21.01,;30.96,-20.1,;30.48,-18.64,;28.94,-18.64,;27.91,-17.49,;26.4,-17.82,;25.93,-19.28,;26.96,-20.42,;28.47,-20.1,;31.06,-24.85,;29.72,-25.62,;28.39,-24.85,;29.72,-27.17,;31.06,-27.94,;32.39,-27.16,;33.73,-27.93,;35.06,-27.16,;35.06,-25.62,;36.39,-24.85,;33.72,-24.85,;32.39,-25.62,;28.39,-27.94,;27.06,-27.17,;27.06,-25.63,;25.72,-27.94,;25.72,-29.48,;27.06,-30.25,;24.39,-27.17,;23.05,-27.94,;23.05,-29.48,;21.72,-27.17,;20.38,-27.94,;21.72,-25.63,;23.05,-24.86,;24.38,-25.63,;25.72,-24.86,;25.72,-23.32,;24.38,-22.55,;23.05,-23.32,;33.72,-15.61,;32.38,-16.39,;33.72,-14.08,;37.72,-11.77,;39.26,-11.76,;36.18,-11.78,;37.71,-10.22,;43.06,-13.3,;44.4,-14.07,;43.06,-11.74,)|
BDBM50079413 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50079414 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50064519 C[C@H]1CN(CC2C[C@@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50213374 CC(c1ccccc1)n1ccnc1C1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |w:1.0|
BDBM50213375 CCOC(=O)N1CCC(CC1)(c1nccn1-c1ccc2ccccc2c1C)c1ccccc1
BDBM50127366 Oc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
BDBM50133267 CCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50173243 O=C1N(Cc2ccccc2)c2ccccc2C11CCN(CC2CCCCCCC2)CC1
BDBM50173244 OC(CNCCN1CCOCC1)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
BDBM50173245 CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
BDBM50173246 CC(C)c1ccc2N(C)C(=O)C3(CCN(CC4CCCCCCC4)CC3)c2c1
BDBM50173247 O=C1Nc2ccccc2C11CCN(CC2CCCCCCC2)CC1
BDBM50173250 CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(C)ccc12
BDBM50173251 CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
BDBM50173252 CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(O)cc12
BDBM50272027 CCCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
BDBM50185786 Fc1ccc2c(c[nH]c2c1)C1=CCN(CC1)C1Cc2cccc3cccc1c23 |t:12|
BDBM50185787 C(C1CCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
BDBM50173092 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
BDBM50173093 COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50173094 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
BDBM50173095 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
BDBM50173096 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
BDBM50173097 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
BDBM50217953 C[C@@H]1[C@@H]2CCC[C@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
BDBM50217954 O[C@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
BDBM50217955 Oc1cccc(c1)[C@@]12CCC[C@@H](N(CCc3ccccc3)CC1)C2=O |TLB:24:23:8.9.10:12.21.22|
BDBM50217956 Oc1cccc(c1)[C@]12CCC[C@@H](N(CCc3ccccc3)CC1)C2=C |TLB:24:23:8.9.10:12.21.22|
BDBM50232152 COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
BDBM50160160 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
BDBM50213391 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213392 CC(C)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213393 COC(=O)c1ccc(Cn2ccnc2C2(CCN(CC2)C(=O)c2ccccc2)c2ccccc2)cc1
BDBM50213394 O=C(OCc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213395 CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(OC)cc1)c1ccccc1
BDBM50213396 COC(=O)c1cccc(Cn2ccnc2C2(CCN(CC2)C(=O)c2ccccc2)c2ccccc2)c1
BDBM50213397 CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(F)c1)c1ccccc1
BDBM50137567 O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1
BDBM50137568 O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1
BDBM50224880 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1cccc2ccccc12 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50297340 CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1 |t:11|
BDBM50224876 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1Br |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50224877 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(Br)cc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50224878 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1cccc2ccccc12 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50224879 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc2ccccc2c1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50297313 NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
BDBM50131968 CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15|
BDBM50246501 CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |r,TLB:4:5:12:8.9,THB:28:5:12:8.9|
BDBM50246502 COc1ccc(cc1)C1(CNC(C)=O)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:8:20:16.17,THB:5:8:20:16.17|
BDBM50246503 Clc1ccccc1C(N1[C@H]2CC[C@H]1CC1(CNc3ccccc13)C2)c1ccccc1Cl |r,THB:15:14:8:10.11|
BDBM50265493 CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:45|
BDBM50079415 CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50297321 O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:20|
BDBM50297322 CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:19|
BDBM50297332 CCN(CC)C(=O)c1ccc(o1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
BDBM50297333 CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
BDBM50138435 CCC(=O)N(CCCCCCCCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
BDBM50138436 CCC(=O)N(CCCCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
BDBM50136605 C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(=O)N(C)C
BDBM50136606 C[C@H]1CN(Cc2c(C)nn(c2C)-c2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50177685 C[C@H]1CN(CCc2ccccc2)[C@H](CCNC(=O)c2ccccc2)C[C@@]1(C)c1cccc(O)c1
BDBM50177686 CCC[C@@H]1C[C@](C)([C@@H](C)CN1C)c1cccc(O)c1
BDBM50177687 CCC[C@@H]1C[C@](C)([C@@H](C)CN1Cc1ccccc1)c1cccc(O)c1
BDBM50177688 CCC[C@@H]1C[C@](C)([C@@H](C)CN1CC)c1cccc(O)c1
BDBM50177689 C[C@H]1CN(CCc2ccccc2)[C@@H](C[C@@]1(C)c1cccc(O)c1)c1ccccc1
BDBM50177690 CCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1
BDBM50177691 C[C@H]1CN(CCc2ccccc2)[C@H](CCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
BDBM50177692 CCCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1
BDBM50177693 CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCC)c1cccc(O)c1
BDBM50177694 CCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1
BDBM50177695 CCCCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1
BDBM50177696 C[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
BDBM50166613 CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
BDBM50166614 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1
BDBM50166615 CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
BDBM50170673 COC(=O)[C@@H]1C[C@H](OC(=O)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50170674 COC(=O)[C@@H]1C[C@H](OC(=O)NCC=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50170675 COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50170676 COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50170677 COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50170678 COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50170679 COC(=O)[C@@H]1C[C@H](OC(=N)C(Cl)(Cl)Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50125445 FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2C=CC=CC=N2)c2ccccc2)c1=O |c:19,21,23|
BDBM50166628 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1
BDBM50166630 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1
BDBM50166631 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O
BDBM50166633 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNC(C)=O
BDBM50166634 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CN)c1
BDBM50166636 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1
BDBM50187673 COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
BDBM50040482 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35O)Oc2ccccc2O1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
BDBM50040487 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C1(Cc2ccccc2C1)C[C@@]35O |TLB:17:18:31:7.13.12,3:4:31:7.13.12|
BDBM50210395 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1C(F)(F)F)c1ccccc1 |w:7.8|
BDBM50210396 OC1(CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1
BDBM50210397 CCCCCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:6.5|
BDBM50210398 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1F)c1ccccc1 |w:7.7|
BDBM50210399 OC1(CCN(CC1)C(c1cccs1)c1ccccc1)c1ccccc1 |w:7.7|
BDBM50210400 CCc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
BDBM50210401 CCCOC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
BDBM50033116 NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2 |TLB:21:16:23:22.20.19,21:20:23:15.16.17,THB:19:18:15:22.20.21,19:20:15:23.18.17|
BDBM50125451 OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(OC(F)(F)F)cc3)c2=O)C1
BDBM50125452 Nc1cccc(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
BDBM50155494 Clc1ccc(cc1Cl)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11|
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|
BDBM50253754 CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
BDBM50217947 Oc1cccc(c1)[C@@]12CCC[C@H](N(CCc3ccccc3)CC1)C2=C |TLB:24:23:8.9.10:12.21.22|
BDBM50217948 O[C@@H]1[C@@H]2CCC[C@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
BDBM50217950 C[C@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50278335 NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@@H](O)CC[C@@]34O)c2c1O |r|
BDBM50235940 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccccc1 |r|
BDBM50240437 Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20|
BDBM50268524 Oc1cccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)c1 |r|
BDBM50268525 COc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
BDBM50268529 C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O |r|
BDBM50268530 C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r|
BDBM50268531 C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O |r|
BDBM50235942 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccccc1 |r|
BDBM50219928 CN=C(N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 |w:1.0|
BDBM50219929 OC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
BDBM50219930 CCNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
BDBM50219931 N#Cc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
BDBM50219932 NCc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
BDBM50219933 CC(C)NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
BDBM50120157 N[C@@H]([C@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F
BDBM50120158 Cc1ccc(cc1)C(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccc(C)cc1
BDBM50120159 N[C@@H]([C@@H]1CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccc(Cl)c1
BDBM50120160 CC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50159905 CCc1ccccc1OC(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C(C)C
BDBM50159906 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(F)ccc1Cl
BDBM50159907 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccc(F)c(C)c1
BDBM50159908 Cc1ccc(Cl)c(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
BDBM50226261 NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCCc3c2)nc1
BDBM50213402 CCOC(=O)N1CCC(CC1)(c1nccn1CC1CCCCC1)c1ccccc1
BDBM50213403 CCOC(=O)N1CCC(CC1)(c1nccn1C(C)c1ccccc1)c1ccccc1 |w:16.18|
BDBM50213404 O=C(N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1)c1ccccc1
BDBM50213405 CCC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213406 CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213407 CC(C)(C)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50193538 COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
BDBM50193540 COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(C)cc1 |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
BDBM50193542 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
BDBM50193543 COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:4:5:24:8.14.13,18:19:24:8.14.13|
BDBM50193544 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)CCc1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
BDBM50193545 Cc1ccccc1\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:32:21:12:24.30.29,19:20:12:24.30.29|
BDBM50193546 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccccc1C)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
BDBM50193547 COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
BDBM50226244 CC(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
BDBM50226245 CC(C)CCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
BDBM50226246 NC(=O)c1ccc(Oc2ccc3CCN(CCc4ccccc4)Cc3c2)nc1
BDBM50226248 NC(=O)c1ccc(Oc2ccc3CN(Cc4ccccc4)Cc3c2)nc1
BDBM50226249 CCCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
BDBM50226250 CCCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
BDBM50226251 NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCc3c2)nc1
BDBM50226252 CC(C)CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
BDBM50226253 NC(=O)c1ccc(Oc2ccc3CCN(Cc4ccccc4)Cc3c2)nc1
BDBM50226254 CCCCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
BDBM50226255 NC(=O)c1ccc(Oc2ccc3CN(CCCC4CCCCC4)CCCc3c2)nc1
BDBM50226256 NC(=O)c1ccc(Oc2ccc(CCN3CCc4ccccc4C3)cc2)nc1
BDBM50226257 NC(=O)c1ccc(Oc2ccc3CN(CCCN4CCOCC4)CCCc3c2)nc1
BDBM50226258 NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)Cc3c2)nc1
BDBM50226259 NC(=O)c1ccc(Oc2ccc3CN(CCCc4ccccc4)CCc3c2)nc1
BDBM50226260 NC(=O)c1ccc(Oc2ccc3CN(Cc4ccccc4)CCc3c2)nc1
BDBM50226262 CCC(CC)CN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
BDBM50226263 NC(=O)c1ccc(Oc2ccc3CCN(CCc4ccccc4)CCc3c2)nc1
BDBM50226264 CC(C)(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
BDBM50226265 NC(=O)c1ccc(Oc2ccc3CCN(Cc4ccccc4)CCc3c2)nc1
BDBM50226266 NC(=O)c1ccc(Oc2ccc3CN(CCCC(F)(F)F)CCCc3c2)nc1
BDBM50226267 NC(=O)c1ccc(Oc2ccc3CN(CCN4CCOCC4)CCCc3c2)nc1
BDBM50219927 NC(=O)c1cccc(Oc2ccc(CCNCc3ccccc3)cc2)n1
BDBM50108787 Cc1c(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c2n1Cc1ccccc1)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |THB:10:9:5:29.27.28,14:34:5:29.27.28|
BDBM50108788 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12|
BDBM50108789 Cc1ccc(cc1)-c1cn(Cc2ccccc2)c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O |TLB:37:22:33:25.31.30,20:21:33:25.31.30|
BDBM50108790 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
BDBM50095150 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50219911 NC(=O)c1ccc(Oc2ccc(CCNCCCc3ccccc3)cc2)nc1
BDBM50219912 NC(=O)c1cccnc1Oc1ccc(CCNCc2ccccc2)cc1
BDBM50219913 NS(=O)(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
BDBM50219914 O=C(N1CCCCC1)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
BDBM50219915 NC(=O)c1ccc(Oc2ccc(CCNCCc3ccccc3)cc2)nc1
BDBM50219916 NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1
BDBM50219917 NC(=O)c1ccc(Oc2ccc(CCCNCc3ccccc3)cc2)nc1
BDBM50219918 NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1
BDBM50219919 NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
BDBM50219920 NC(=O)c1ccc(Oc2ccc(NCCCc3ccccc3)cc2)nc1
BDBM50219921 NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1
BDBM50219922 CNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
BDBM50219923 NC(=O)c1ccnc(Oc2ccc(CCNCc3ccccc3)cc2)c1
BDBM50219924 NC(=N)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1
BDBM50219925 NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1
BDBM50219926 NC(=O)c1ccc(Oc2ccc(CCCNc3ccccc3)cc2)nc1
BDBM50217951 O[C@H]1[C@@H]2CCC[C@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
BDBM50217952 O[C@@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1 |TLB:10:9:5.4.3:1|
BDBM50211219 Cc1cccc(O)c1C(=O)C1=CCC[NH+]2CCC[C@H]12 |t:11|
BDBM50173267 OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
BDBM50173268 CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(C)cc12
BDBM50173269 CCN(CC(O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12)Cc1ccc(C)cc1
BDBM50159897 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(C)ccc1Cl
BDBM50159898 CC(C)C(CCN1CCC(CC1)n1[c-]2ccccc2nc1=[OH+])Oc1cc(ccc1C)[N+]([O-])=O
BDBM50159899 Cc1ccc(Cl)c(OC(C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)C2CCCCC2)c1
BDBM50159900 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(N)ccc1C
BDBM50125256 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
BDBM50125255 NCCCC[C@H](C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)C(O)=O
BDBM50133259 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50173262 CCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(ccc12)C(C)C
BDBM50173265 OC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
BDBM50159902 Cc1ccc(Cl)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccccc2)c1
BDBM50159903 COc1ccc(Cl)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1
BDBM50159904 Cc1ccc(Cl)c(OC2(CCCCC2)C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
BDBM50170667 COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50173253 CC(=O)OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
BDBM50173254 COC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
BDBM50173255 COc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1
BDBM50173256 CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2c1cccc2C
BDBM50173258 COc1ccc2c(c1)N(CC1CC1)C(=O)C21CCN(CC2CCCCCCC2)CC1
BDBM50173259 CCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(OC)cc12
BDBM50101609 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1
BDBM50083227 CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl
BDBM50083229 CCn1c2ccccc2n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c1=O
BDBM50083230 CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O
BDBM50170668 COC(=O)[C@@H]1C[C@H](OC(=O)c2cccnc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50170669 COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50170670 COC(=O)[C@@H]1C[C@H](OC(=O)C(C)=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50133257 C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
BDBM50084248 CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
BDBM50084251 CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
BDBM50224868 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50071686 CCOC(=O)[C@H]1CNCC[C@H]1c1ccccc1
BDBM50137561 O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
BDBM50137562 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccccc2)CC1
BDBM50137563 CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O
BDBM50266390 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)C(=O)c1cccs1 |r|
BDBM50083530 CCOC(=O)C1(CCN(C)CC1)c1ccc(I)cc1
BDBM50083531 CN1CCC(CC1)(C#N)c1ccc(I)cc1
BDBM50083532 CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)cc1
BDBM50083533 CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
BDBM50083534 CCOC(=O)C1(CCN(C)CC1)c1ccc2ccccc2c1
BDBM50083536 CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)c(Cl)c1
BDBM50083525 CCOC(=O)C1(CCN(C)CC1)c1ccc(C)cc1
BDBM50083526 CN1CCC(CC1)(C#N)c1ccc(Cl)c(Cl)c1
BDBM50083527 CN1CCC(CC1)(C#N)c1ccc(C)cc1
BDBM50238615 COC(=O)[C@@H]1C[C@H](OC(=O)c2cccs2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50238620 COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(Br)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50238628 COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50259239 CNC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
BDBM50224873 COc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |w:22.22,TLB:35:34:23:29.28.27,30:29:23:20.34.21|
BDBM50224874 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1ccc2ccccc2c1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50224875 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc2ccccc12 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50091404 Clc1ccc(\C=C\C(=O)NC23CCC(=O)C4Oc5cccc6CC2N(CC2CC2)CC[C@@]34c56)cc1 |THB:17:32:10:24.30.29,20:21:10:24.30.29|
BDBM50091405 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(Cl)cc1)ccc3OC |r|
BDBM50177684 C[C@H]1CN(CCc2ccccc2)[C@H](Cc2ccccc2)C[C@@]1(C)c1cccc(O)c1
BDBM50166616 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNS(C)(=O)=O
BDBM50292914 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r|
BDBM50292915 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cnc2ccccc2c1 |r|
BDBM50292916 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
BDBM50292917 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
BDBM50292918 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
BDBM50292919 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
BDBM50292924 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccccn1 |r|
BDBM50292925 C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H]1Cc2ccccc2CN1)[C@@H](C)O)C(N)=O |r,wU:7.6,52.62,72.79,62.65,wD:3.3,1.1,40.42,26.26,15.15,11.77,(48.26,5.04,;48.26,6.58,;49.59,7.35,;46.94,7.35,;45.6,6.58,;45.6,5.04,;46.94,4.27,;44.31,4.21,;44.37,2.53,;45.7,1.73,;47.03,2.49,;45.68,.2,;44.35,-.59,;43.01,.19,;43.01,-1.36,;41.59,-.59,;41.59,-2.12,;42.92,-2.89,;42.92,-4.43,;44.25,-5.19,;44.25,-6.74,;42.92,-7.51,;45.58,-7.51,;40.35,.19,;39.02,-.58,;39.02,-2.11,;37.69,.19,;37.69,-2.27,;36.36,-3.03,;34.91,-2.41,;33.89,-3.64,;34.63,-4.9,;34.16,-6.36,;35.19,-7.52,;36.71,-7.23,;37.22,-5.75,;36.16,-4.56,;36.36,-.57,;35.02,.2,;35.02,-1.34,;33.68,-.57,;33.68,-2.57,;32.15,-3.85,;30.69,-3.31,;29.5,-4.31,;29.79,-5.85,;28.62,-6.85,;31.23,-6.37,;32.42,-5.37,;32.36,.21,;30.96,-.54,;30.62,-2.04,;29.66,.31,;29.71,1.78,;34.37,3.93,;42.28,3.53,;42.95,4.89,;41.58,5.57,;43.64,6.26,;28.29,-.41,;26.96,.36,;26.96,1.91,;25.63,-.41,;25.63,-1.9,;24.29,-2.67,;24.29,-4.24,;23,-4.98,;21.72,-4.24,;21.64,-2.73,;22.96,-1.97,;22.96,-.41,;24.25,.4,;47.01,-.57,;48.34,.2,;47.01,-2.11,;46.94,8.89,;45.6,9.67,;48.26,9.67,)|
BDBM50259055 COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 |TLB:8:7:15:11.12|
BDBM50308917 CC[C@@]12CCN(CCc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O |r|
BDBM50308918 CC[C@@]12CCN(C)C[C@@H]1Oc1c2cccc1O |r|
BDBM50308919 CN1CC[C@]2(CCc3ccccc3)[C@H](C1)Oc1c2cccc1O |r|
BDBM50212239 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
BDBM50292912 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2c1 |r|
BDBM50292913 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2c1 |r|
BDBM50259053 Cc1ccc(C(N2C3CCC2CC(O)(C3)c2cccc(F)c2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
BDBM50259054 Cc1ccc(C(N2C3CCC2CC(O)(C3)c2ccncn2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
BDBM50245838 CN(C)CC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1 |r,TLB:3:4:11:7.8|
BDBM50308920 CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1c2cccc1O |r|
BDBM50308921 CC[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1Oc1c2cccc1O |r|
BDBM50308922 CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c2cccc1O |r|
BDBM50308923 Oc1ccc2OC3CN(CCc4ccccc4)CCC3c2c1
BDBM50308924 Oc1ccc2OC3CN(CC4CC4)CCC3c2c1
BDBM50245890 CN(C)CC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccc(F)n1 |r,TLB:3:4:11:7.8|
BDBM50245836 CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1 |r,TLB:4:5:12:8.9,28:5:12:8.9|
BDBM50245837 CCNCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1 |r,TLB:3:4:11:7.8,27:4:11:7.8|
BDBM50154036 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
BDBM50261626 C[C@H]1C2Cc3cc4nc[nH]c(=O)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
BDBM50261627 C[C@H]1C2Cc3ccc4c(nc[nH]c4=O)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:8:14:1:19.17.18,20:19:1:4.14.3|
BDBM50040483 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12|
BDBM50040484 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
BDBM50105771 COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:28:27:19.5.6:8.14.13,THB:9:8:27:19.5.6,18:19:27:8.14.13|
BDBM50105772 CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
BDBM50105773 COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O |TLB:31:30:19.5.6:8.14.13,THB:9:8:30:19.5.6,18:19:30:8.14.13|
BDBM50105774 CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
BDBM50105775 COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:31:30:19.5.6:8.14.13,THB:9:8:30:19.5.6,18:19:30:8.14.13|
BDBM50105776 CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4oc2ccccc12)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
BDBM50105777 CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
BDBM50105778 COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1[nH]ncc1C[C@@]35O |TLB:27:26:19.5.6:8.14.13,THB:9:8:26:19.5.6,18:19:26:8.14.13|
BDBM50045767 C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50127367 Fc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1
BDBM50259193 OC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
BDBM50177697 C[C@H]1CN(CCc2ccccc2)[C@H](CCN)C[C@@]1(C)c1cccc(O)c1
BDBM50177698 CC[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
BDBM50177699 CCC[C@@H]1C[C@](C)([C@@H](C)CN1)c1cccc(O)c1
BDBM50177700 CC(C)[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
BDBM50177701 CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
BDBM50177702 CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCCc1ccccc1)c1cccc(O)c1
BDBM50040485 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,TLB:17:18:23:7.13.12,3:4:23:7.13.12|
BDBM50159915 CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50159916 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C
BDBM50159917 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(C)ccc1F
BDBM50159918 Cc1ccc(Cl)c(OC(C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccccc2)c1
BDBM50159919 CC(C)C(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50159921 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(C)ccc1C
BDBM50159922 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C(F)(F)F
BDBM50159923 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccc(F)cc1C
BDBM50117262 CC1(C)SC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50117263 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
BDBM50117264 CC1(C)SC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50120053 CC[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
BDBM50120054 CC1(C)[C@H](N)[C@H](O)Cc2ccc(O)cc12
BDBM50083528 CN1CCC(CC1)(C#N)c1ccc2ccccc2c1
BDBM50274347 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50136602 COc1cccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)c1
BDBM50136603 C[C@H]1CN(Cc2ccc(cc2)C(C)(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50120055 CS(=O)[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
BDBM50120137 CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1cc(F)cc(F)c1
BDBM50120138 CCCCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50120139 CCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50120140 CCCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50120141 CCCCC(CCCC)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1
BDBM50120142 N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1ccc(Oc2ccccc2)cc1
BDBM50120143 N[C@@H]([C@@H]1CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)c1cccc(Cl)c1
BDBM50277116 C[C@H]1C2Cc3ccc4nc[nH]c4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
BDBM50261729 Fc1ccc(-c2noc(n2)C2CCN(CC2)c2cnc3ccc(Cl)cc3c2)c(Cl)c1
BDBM50136604 C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1
BDBM50272256 C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)CCc1ccc(cc1)-c1ccccc1 |r,TLB:15:14:1:4.9.3|
BDBM50272257 O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)Cc3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.38.16:1|
BDBM50101624 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
BDBM50101625 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN
BDBM50101626 [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6]\[#7]=[#6](/[#7])-[#7]
BDBM50101627 CC(N)=NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |w:3.3|
BDBM50265437 N#CC1(CCN(CCCCc2ccccc2)CC1)c1ccccc1
BDBM50101621 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CO
BDBM50101622 COC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
BDBM50101623 Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(O)=O
BDBM50120165 COc1ccc(cc1)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
BDBM50120166 N[C@@H]([C@@H]1CCN1C(c1cccc(F)c1)c1cccc(F)c1)c1cccc(Cl)c1
BDBM50120167 Cc1ccc(cc1F)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
BDBM50120168 CCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
BDBM50027473 CCC(=O)N(c1ccccc1)[C@]1(CCN(CCc2ccccc2)C[C@H]1C)C(=O)OC
BDBM50101617 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:35:30:33.38.32,34:33:30:35.37.36|
BDBM50101618 CC(=O)OC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
BDBM50101619 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN=[N+]=[N-]
BDBM50101611 C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
BDBM50101612 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCc1ccccc1
BDBM50101613 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
BDBM50101620 CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
BDBM50101610 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCC(C)(C)C
BDBM50101614 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)NC(C)(C)C
BDBM50101615 CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
BDBM50101616 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCC=C
BDBM50308916 CC[C@@]12CCN(CCc3ccc(cc3)[N+]([O-])=O)C[C@@H]1Oc1c2cccc1O |r|
BDBM50177680 C[C@H]1CN(CCc2ccccc2)[C@H](CCN2CCCC2)C[C@@]1(C)c1cccc(O)c1
BDBM50177681 C[C@H]1CN(CCc2ccccc2)[C@H](CCNC(C)=O)C[C@@]1(C)c1cccc(O)c1
BDBM50177682 C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
BDBM50177683 CCCC[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
BDBM50259238 NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
BDBM50269294 COC(=O)[C@@H]1C[C@H](OC(=O)CCc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50200613 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8|
BDBM50200614 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)(=O)=O)c2=O)C(C)C)c1 |w:9.8|
BDBM50200615 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC(C)C)c2=O)C(C)C)c1 |w:9.8|
BDBM50265533 CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45 |r|
BDBM50127335 CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)NC[C@H]1CCCO1
BDBM50127336 COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC
BDBM50127337 Oc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
BDBM50267353 COC(CN1CCCN(Cc2ccccc2)[C@@H](CO)C1)OC |r|
BDBM50278263 NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@H](O)CC[C@@]34O)c2c1O |r|
BDBM50259011 OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cncs1 |TLB:0:1:8:4.5|
BDBM50259012 OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnn1 |TLB:0:1:8:4.5|
BDBM50259013 OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1 |TLB:0:1:8:4.5|
BDBM50259014 Cc1ccnc(c1)C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccc(C)cc1Cl |TLB:8:7:15:11.12|
BDBM50276569 COCCN([C@@H]1[C@H](C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |r,c:7|
BDBM50084768 CCC(=O)N(c1ccccc1)[C@]1(COC)CC[NH+](CCc2ccccc2)CC1 |wU:11.11,wD:11.12,(12.88,-3.1,;11.39,-2.71,;10.3,-3.8,;10.51,-5.33,;8.97,-3.03,;8.97,-1.49,;10.3,-.72,;10.29,.82,;8.94,1.58,;7.61,.79,;7.63,-.73,;7.89,-4.13,;7.87,-5.67,;6.54,-6.44,;6.53,-7.98,;7.63,-2.6,;5.86,-2.62,;4.81,-1.8,;3.88,-3.03,;2.36,-2.85,;1.45,-4.09,;-.09,-3.93,;-1,-5.16,;-.39,-6.58,;1.15,-6.75,;2.06,-5.51,;5.07,-3.34,;6.91,-3.34,)|
BDBM50276568 C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc13)[C@@H]2N |r|
BDBM50265406 C=CCN1CCC(CC1)(C#N)c1ccccc1
BDBM50255953 CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
BDBM50045772 C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1
BDBM50144234 CCN(CC)C(=O)c1ccc(cc1)N(C1C[C@@H]2CC[C@H](C1)N2)c1ccccc1
BDBM50188803 O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
BDBM50188804 Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
BDBM50188805 O=C1NC[C@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
BDBM50188806 Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
BDBM50130603 CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O |TLB:33:32:20:1.3.2,6:5:20:1.3.2|
BDBM50130604 COc1ccc2CC3N(C)CC[C@@]4([C@@H]5C(C[C@]34Cc3c5[nH]c4ccccc34)=C(C)C)c2c1O |wU:16.15,wD:13.21,12.34,TLB:31:30:16:8.11.10,4:5:16:8.11.10,(4.88,-6.62,;4.27,-5.21,;5.18,-3.97,;4.56,-2.57,;5.49,-1.33,;7,-1.5,;7.93,-.26,;9.45,-.44,;10.22,.9,;11.44,1.83,;8.73,.51,;8.37,-1.76,;9.15,-3.09,;9.77,-4.51,;12.49,-1.52,;11.16,-.75,;10.06,-1.85,;11.6,-2.01,;12.21,-3.43,;11.3,-4.67,;12.21,-5.91,;13.67,-5.44,;15,-6.21,;16.33,-5.44,;16.33,-3.89,;15,-3.13,;13.67,-3.9,;14,-1.28,;14.56,.16,;14.96,-2.48,;7.61,-2.92,;6.7,-4.15,;7.31,-5.56,)|
BDBM50130605 CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(CC=C(C)C)C1Cc4ccc5O |wU:20.24,8.9,wD:4.4,TLB:29:28:20:1.3.2,6:5:20:1.3.2,(9.18,1.42,;7.96,.48,;6.47,.09,;6.12,-2.18,;6.89,-3.51,;5.37,-3.34,;4.44,-4.57,;5.89,-5.72,;7.52,-4.93,;7.51,-6.47,;9.05,-5.09,;9.95,-6.35,;11.42,-5.86,;12.75,-6.65,;14.09,-5.88,;14.09,-4.32,;12.76,-3.55,;11.43,-4.32,;9.96,-3.85,;9.34,-2.43,;7.82,-2.27,;8.9,-1.17,;10.39,-1.55,;11.46,-.45,;12.96,-.85,;11.06,1.03,;7.21,-.86,;5.68,-.68,;4.76,-1.92,;3.23,-1.75,;2.31,-2.99,;2.92,-4.39,;2.01,-5.63,)|
BDBM50130606 COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10|
BDBM50130607 COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C(/C)c3ccccc3)c2c1O |TLB:4:5:16:8.11.10,30:29:16:8.11.10,THB:21:14:12:19.17.18|
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,)|
BDBM50276496 COCCN([C@H]1[C@@H](C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |r,c:7|
BDBM50276497 COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)COc1ccc(Cl)cc1
BDBM50276498 COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50292920 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1 |r|
BDBM50292921 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccncc1 |r|
BDBM50292922 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccnc1 |r|
BDBM50292923 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccnc1 |r|
BDBM50266888 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cnc2ccccc2c1 |r|
BDBM50259102 Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCN2Cc2ccccc2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
BDBM50259103 Cc1ccc(C(N2C3CCC2CC(O)(C3)C2=NCCCN2)c2ccccc2Cl)c(Cl)c1 |t:17,THB:13:12:6:8.9|
BDBM50259104 Cc1ccc(C(N2C3CCC2CC(O)(CCCO)C3)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
BDBM50278337 C[N+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |r|
BDBM50277114 C[C@H]1C2Cc3cc4[nH]c(=O)[nH]c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3|
BDBM50259056 Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCC2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
BDBM50041240 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
BDBM50268463 O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r|
BDBM50268464 Oc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
BDBM50137997 Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
BDBM50157798 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
BDBM50157799 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(Cc2ccccc2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
BDBM50157800 CCn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:12:11:7:21.22.23,16:28:7:21.22.23|
BDBM50157801 Cn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:11:10:6:20.21.22,15:27:6:20.21.22|
BDBM50229425 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@]11Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
BDBM50244177 Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ccccc1
BDBM50081523 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NN
BDBM50081524 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H](N)Cc1ccccc1
BDBM50132662 OC1(CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
BDBM50001464 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50001465 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50081525 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
BDBM50081526 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](N)Cc1ccccc1
BDBM50081527 CCCC[C@H](N)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50081528 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](N)Cc1ccc(O)cc1
BDBM50081529 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@@H](N)Cc1ccccc1
BDBM50081531 CCCC[C@@H](N)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50136583 COc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)c(OC)c1
BDBM50136584 C[C@H]1CN(Cc2cccn2S(=O)(=O)c2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50136585 COC(=O)c1cccc(c1)[C@]1(C)CCN(CCc2ccccc2)C[C@@H]1C
BDBM50136586 C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(NC(C)=O)c1
BDBM50136587 C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50136588 C[C@H]1CN(Cc2ccc(cc2)N(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50136589 C[C@H]1CN(Cc2cccc(O)c2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50136590 C[C@H]1CN(CC2CCCCC2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50136591 CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)CC(C)(C)C
BDBM50136592 C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50136593 C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50136594 CNC(=O)c1cccc(c1)[C@]1(C)CCN(CCc2ccccc2)C[C@@H]1C
BDBM50189136 COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50189138 CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
BDBM50248035 COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)|
BDBM50001031 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
BDBM50001033 [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14|
BDBM50097577 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)Nc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50097579 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
BDBM50204793 O=C1NCN(c2ccccc2)C11CCN(CC1)C1c2ccccc2C=Cc2ccccc12 |c:28|
BDBM50204794 Fc1cccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c12 |w:9.9|
BDBM50000091 CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
BDBM50000092 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
BDBM50159909 CC(C)CC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50159912 Cc1ccc(Cl)c(OC2(CCCCC2)C(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)n2ccnc2)c1
BDBM50159913 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C(C)C
BDBM50159914 CC(C)C(CCN1CCC(CC1)n1c2ccccc2[n-]c1=[OH+])Oc1cc(C)ccc1[N+]([O-])=O
BDBM50259186 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(OC)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
BDBM50259187 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(N)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
BDBM50259189 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C#N)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
BDBM50259190 OCC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
BDBM50017488 CO[C@H]1C[C@@H]([C@H](C[C@H]1OC)N1CCCC1)N(C)C(=O)Cc1cccc2occc12
BDBM50017489 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2sccc2c1
BDBM50017490 CN(CCc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1
BDBM50017500 CN([C@@H]1CCCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
BDBM50017501 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2ccsc2c1
BDBM50259234 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
BDBM50276363 COCCNC1C(CCc2ccccc12)c1ccsc1
BDBM50268588 CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50276409 COCCN[C@H]1[C@@H](CCc2ccccc12)c1ccsc1 |r|
BDBM50136607 C[C@H]1CN(CC2CC2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50105105 Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
BDBM50105106 Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
BDBM50105107 Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
BDBM50105109 Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
BDBM50105110 O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1
BDBM50105111 Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O
BDBM50105112 COc1ccc(CN2CCN(CC2)C(=O)CCn2cc(C)c3ccccc23)cc1OCc1ccccc1
BDBM50244809 C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
BDBM50246450 CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |r,TLB:4:5:12:8.9,THB:28:5:12:8.9|
BDBM50246451 COC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |r,TLB:5:6:13:9.10,THB:29:6:13:9.10|
BDBM50246452 CN(CC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1)C(C)=O |r,TLB:2:3:10:6.7,THB:26:3:10:6.7|
BDBM50203826 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
BDBM50021325 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2|
BDBM50188361 O=C1NCC(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
BDBM50188364 OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1
BDBM50188376 OC1(CCCCC1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
BDBM50059841 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50059990 CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)C[C@@]1(CCc2ccccc2C1)C4=O)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50272023 CCCCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50135795 O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1cccc(c1)C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50097586 CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(N)=O |TLB:6:5:20.13.15:11,14:13:11:5.3.4,THB:19:20:11:5.3.4|
BDBM50059992 CN1CCC23[C@H]4Oc5c2c(CC1[C@@H]3C[C@@]1(CCc2ccccc2C1)C4=O)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50204784 CCCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
BDBM50204785 CC(C)CCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
BDBM50204786 O=C1NCN(c2ccccc2)C11CCN(Cc2ccsc2)CC1
BDBM50204787 CCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
BDBM50204788 Clc1cccc(c1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(Cl)c1
BDBM50216131 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)OCC[C@]21C
BDBM50216132 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)c1ccoc1Br |r|
BDBM50105060 Clc1cc2OCOc2cc1CN1CCC(CC1)N1C(=O)CNc2ccccc12
BDBM50009073 COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
BDBM50001709 O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
BDBM50123992 CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4|
BDBM50105061 Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50105062 O=C(OCc1ccc2nsnc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM50105063 COc1cc(CC(=O)N2CCC(CC2)n2[c-]3ccccc3nc2=[OH+])c(cc1OC)[N+]([O-])=O
BDBM50259236 NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
BDBM50259237 COC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
BDBM50123994 CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
BDBM50268582 O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@H]12 |r|
BDBM50268586 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50259279 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
BDBM50259280 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(F)cc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
BDBM50312766 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
BDBM50147745 CC(C)[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |wU:3.2,wD:6.9,(24.92,-3.48,;24.12,-2.15,;24.85,-.8,;22.58,-2.2,;21.84,-3.55,;20.3,-3.58,;19.5,-2.27,;20.23,-.92,;21.77,-.87,;17.97,-2.31,;17.15,-.99,;15.61,-1.03,;14.89,-2.39,;15.7,-3.71,;17.22,-3.66,;13.35,-2.43,;12.41,-1.22,;12.84,.26,;10.96,-1.73,;11.01,-3.27,;9.9,-4.34,;10.27,-5.84,;11.74,-6.26,;12.86,-5.2,;12.49,-3.69,)|
BDBM50147746 O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1
BDBM50147747 O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCC2CCCCC12
BDBM50147748 CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccc-2c(Cc3ccccc-23)c1
BDBM50147749 O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1
BDBM50095155 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50210200 CC(C)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50261628 C[C@H]1C2Cc3ccc4c(N)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
BDBM50261629 C[C@H]1C2Cc3cc4ncnc(N)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:13:14:1:19.17.18,20:19:1:4.14.3|
BDBM50261630 C[C@H]1C2Cc3ccc4c(NCCc5ccc(cc5)-c5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3|
BDBM50210196 CC(C)(C)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210197 NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1
BDBM50210198 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)C1CC1
BDBM50210201 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccco1
BDBM50210202 CCCCC1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210203 OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCOCC1
BDBM50210204 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(cc1)C#N
BDBM50210205 COc1cccc(c1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210199 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
BDBM50094634 CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
BDBM50200616 CNC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21|
BDBM50200617 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCCO)c2=O)C(C)C)c1 |w:9.8|
BDBM50200618 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)=O)c2=O)C(C)C)c1 |w:9.8|
BDBM50261686 C[C@H]1C2Cc3ccc4c(NCc5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3|
BDBM50261687 C[C@H]1C2Cc3cc4ncnc(NCCc5ccc(cc5)-c5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3|
BDBM50224869 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(Cl)cc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50224870 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(Br)c1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50224871 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCCc1ccc2ccccc2c1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50224872 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1cccc(c1)-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50224881 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(C)cc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50265490 CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54|
BDBM50245889 CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccc(F)n1 |r,TLB:4:5:12:8.9,THB:28:5:12:8.9|
BDBM50175739 CS(=O)(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50303617 OC(CCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
BDBM50303618 OC(CCCCCCCCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
BDBM50303619 CCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:20:19:8.25.9:11|
BDBM50303620 CCCCCCCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:25:24:13.30.14:16|
BDBM50303621 OCCCCCCCCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:27:26:15.32.16:18|
BDBM50166061 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@@H](Cc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50278383 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CCCC[C@@]34O)c2c1O |r,TLB:10:9:7.23.6:21|
BDBM50278384 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@]45[C@H](CCC[C@@]34O)Oc1c25 |r|
BDBM50246560 Fc1ccc2NCC3(C[C@@H]4CC[C@@H](C3)N4C(c3ccccc3Cl)c3ccccc3Cl)c2c1 |r,TLB:6:7:14:10.11|
BDBM50246561 Cc1ccc2NCC3(C[C@@H]4CC[C@@H](C3)N4C(c3ccccc3Cl)c3ccccc3Cl)c2c1 |r,TLB:6:7:14:10.11|
BDBM50246562 NCC1(Cc2ccccc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:1:2:16:12.13,3:2:16:12.13|
BDBM50246563 CC(=O)NCC1(Cc2ccccc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:4:5:19:15.16,6:5:19:15.16|
BDBM50153608 COC(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
BDBM50153609 OC1(CC[N+]([O-])(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F |(-.99,3.38,;.33,2.61,;-.99,1.83,;-.99,.3,;.33,-.45,;1.66,-1.22,;-.44,-1.78,;-1.98,-1.76,;-2.77,-3.09,;-4.31,-3.06,;-5.08,-4.38,;-6.64,-4.38,;-7.39,-3.03,;-6.59,-1.71,;-5.06,-1.73,;-2.02,-4.44,;-2.81,-5.75,;-2.05,-7.09,;-.51,-7.12,;.26,-5.78,;-.48,-4.44,;1.68,.3,;1.66,1.83,;1.43,3.7,;1.01,5.19,;2.08,6.3,;3.6,5.92,;4.67,7.04,;4.01,4.41,;2.92,3.33,;5.51,4.03,;6.86,3.68,;6.18,2.58,;6.79,4.99,)|
BDBM50144263 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-c1cccn1-[#6])\c1ccccc1
BDBM50144264 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1cccc(-[#8]-[#6])c1
BDBM50144265 [#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144266 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccn1)\c1ccccc1
BDBM50144267 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6])\c1cccc(-[#8])c1
BDBM50278437 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
BDBM50278212 NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O |r|
BDBM50098209 Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(NC(=O)c4ccc(C=O)c(C=O)c4)cccc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12|
BDBM50213379 CC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50153610 OC(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
BDBM50153611 COC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
BDBM50153612 OC1(CC[N+]([O-])(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)c(c1)C(F)(F)F |(-1.02,2.26,;.31,1.49,;-1.02,.72,;-1.02,-.82,;.31,-1.59,;1.64,-2.36,;-.48,-2.92,;-2.02,-2.89,;-2.77,-1.55,;-4.31,-1.52,;-5.08,-2.85,;-6.62,-2.85,;-7.41,-4.18,;-6.64,-5.51,;-5.1,-5.53,;-4.33,-4.21,;-2.79,-4.21,;1.64,-.82,;1.64,.72,;1.41,2.58,;.99,4.08,;2.06,5.17,;3.58,4.8,;4.65,5.9,;3.97,3.29,;2.9,2.19,;5.49,2.91,;6.77,3.87,;6.84,2.56,;6.14,1.45,)|
BDBM50153613 COC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
BDBM50153614 CN(C)C(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
BDBM50153615 OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
BDBM50153616 OC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
BDBM50153617 OC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
BDBM50153618 OC1(CC[N+]([O-])(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F |(-.85,3.59,;.47,2.82,;1.8,2.05,;1.8,.51,;.47,-.24,;1.8,-1.01,;-.32,-1.57,;-1.86,-1.55,;-2.63,-2.88,;-1.87,-4.22,;-2.67,-5.53,;-1.93,-6.88,;-.37,-6.9,;.4,-5.56,;-.34,-4.22,;-4.17,-2.85,;-4.93,-1.52,;-6.45,-1.49,;-7.24,-2.82,;-6.5,-4.17,;-4.96,-4.17,;-.85,.51,;-.85,2.05,;1.57,3.92,;1.15,5.41,;2.24,6.5,;3.74,6.15,;4.13,4.63,;3.06,3.54,;5.65,4.24,;6.93,5.2,;7,3.89,;6.3,2.79,)|
BDBM50144268 O=[#6](-[#7]-[#6]-1-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144269 CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1cnc[nH]1)c1ccccc1 |(22.69,4.62,;21.34,5.38,;21.33,6.9,;20,7.66,;19.98,9.21,;18.66,6.88,;18.68,5.34,;17.34,4.56,;16.01,5.33,;15.99,6.86,;17.31,7.64,;14.67,4.56,;14.69,3.02,;16.02,2.25,;16.04,.55,;15.33,1.8,;14.13,1.8,;13.35,.69,;13.35,2.24,;14.69,-.08,;14.69,-1.63,;16.02,-2.4,;16.17,-3.92,;17.67,-4.25,;18.46,-2.92,;17.43,-1.78,;13.34,5.33,;12.02,4.54,;10.68,5.3,;10.65,6.85,;12,7.62,;13.34,6.85,)|
BDBM50144273 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1cccc(-[#8]-[#6])c1
BDBM50144274 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1ccc(-[#8]-[#6])cc1
BDBM50144275 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1cccc(-[#8])c1
BDBM50084983 COc1ccc(cc1)-c1cc2C[C@H](N(Cc2cc1OC)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
BDBM50084991 COc1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
BDBM50272024 CCCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50272025 CCCCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50272026 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM50115095 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2cc(C=O)c(C=O)cc2c1 |THB:17:18:22:7.13.12,3:4:22:7.13.12|
BDBM50144276 CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:20:19:12.18.13:15.16|
BDBM50144277 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1cccc(-[#8])c1
BDBM50144278 [#6]C([#6])([#6])[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50108791 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:17:18:25:7.13.12,3:4:25:7.13.12|
BDBM50108792 CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:35:11:14:3.5.4,9:10:14:3.5.4|
BDBM50108793 COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:4:5:20:8.11.10,15:16:20:8.11.10|
BDBM50199905 C[C@H]1CN2C[C@H](CC[C@@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50199906 CC(C)[C@H]1CN2C[C@H](C)[C@@](C)(C[C@@H]2CN1)c1cccc(O)c1 |r|
BDBM50199907 C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199908 C[C@H]1CN2CCN(Cc3ccncc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50176263 CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
BDBM50259582 NC(=O)C1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CCCCN1 |r,TLB:1:3:10:6.7|
BDBM50140731 CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |wU:3.2,wD:8.9,(-1.76,5.37,;-3.26,5.05,;-3.74,3.6,;-5.19,3.12,;-6.52,3.89,;-7.86,3.12,;-7.86,1.58,;-6.52,.81,;-5.19,1.58,;-3.74,1.11,;-3.33,-.37,;-4.42,-1.47,;-4.01,-2.93,;-2.51,-3.33,;-1.44,-2.24,;-1.86,-.75,;-2.1,-4.82,;-.6,-5.19,;-.18,-6.69,;-1.26,-7.8,;-2.76,-7.41,;-3.18,-5.92,;-.85,-9.28,;.64,-9.66,;-1.92,-10.37,;-2.83,2.34,;-1.3,2.34,)|
BDBM50176258 CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
BDBM50176259 COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
BDBM50280516 COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50255899 CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
BDBM50255900 CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
BDBM50255901 CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)S(C)(=O)=O
BDBM50249016 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccc(C)cc1 |r|
BDBM50280515 CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50274401 CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50243887 O[C@H]1CN(C[C@H]2C[C@H](O)c3ncccc3C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
BDBM50182946 Cc1cc(cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
BDBM50193548 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
BDBM50193549 COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
BDBM50082784 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2|
BDBM50144272 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]=[#6])\c1cccc(-[#8]-[#6])c1
BDBM50144283 CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1 |THB:20:19:12.18.13:15.16|
BDBM50144284 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1cccc(-[#8])c1
BDBM50144285 CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CC=C)\c1ccccc1 |THB:20:19:12.13.18:16.15|
BDBM50144286 CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1[nH]cnc1C)c1ccccc1 |(19.23,1.17,;17.89,1.92,;17.87,3.47,;16.54,4.23,;16.52,5.77,;15.2,3.45,;15.22,1.9,;13.88,1.12,;12.55,1.9,;12.53,3.42,;13.85,4.21,;11.21,1.12,;11.23,-.41,;12.56,-1.19,;12.58,-2.9,;11.87,-1.63,;10.67,-1.63,;9.89,-2.75,;9.89,-1.19,;11.23,-3.51,;11.23,-5.06,;12.56,-5.83,;13.97,-5.22,;15,-6.36,;14.21,-7.68,;12.71,-7.35,;11.58,-8.38,;9.88,1.88,;9.88,3.42,;8.54,4.18,;7.2,3.4,;7.22,1.85,;8.56,1.11,)|
BDBM50049806 CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15|
BDBM50312767 COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312768 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
BDBM50312769 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50312770 O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
BDBM50312771 COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312772 COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312773 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
BDBM50312774 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM50312775 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
BDBM50312776 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
BDBM50312777 COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
BDBM50312778 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|
BDBM50312779 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
BDBM50312780 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
BDBM50144261 CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)\c1ccccc1 |THB:20:19:12.13.18:16.15|
BDBM50144262 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccc(-[#8]-[#6])cc1
BDBM50144270 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1cccc(-[#8]-[#6])c1
BDBM50144271 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1cccc(-[#8]-[#6])c1
BDBM50190358 COc1cccc(c1)-n1cnnc1-c1cccc(c1)C(C)(C)C
BDBM50190359 CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1
BDBM50190360 Oc1cccc(c1)-n1cnnc1-c1cccc(c1)-c1ccccc1
BDBM50190361 CN(C)c1nnc(-c2cccc(c2)-c2ccccc2)n1-c1cccc(O)c1
BDBM50190362 CN(C)Cc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
BDBM50190363 CN(C)c1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
BDBM50190364 COc1cccc(c1)-n1cnnc1-c1ccc(cc1)C(C)(C)C
BDBM50190365 CC(C)(C)c1ccc(cc1)-c1nncn1-c1cccc(O)c1
BDBM50190366 COc1cccc(c1)-n1c(nnc1-c1ccc(cc1)C(C)(C)C)N(C)C
BDBM50299395 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN(C)C)c1
BDBM50299396 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CO)c1
BDBM50194274 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50194275 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O
BDBM50214842 CCCCn1nc(-c2ccccc2)c(C=C)c(N)c1=O
BDBM50318680 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1=O |r|
BDBM50318682 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1CCc2cc(O)ccc2C1 |r|
BDBM50210230 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccs1
BDBM50210231 CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
BDBM50210232 Cc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210233 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1F
BDBM50210234 CNC(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
BDBM50210235 CCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:4.3|
BDBM50210236 CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
BDBM50210237 COc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210238 CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
BDBM50210213 Cc1cccc(c1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210214 CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
BDBM50210215 NCc1ccccc1C1(O)CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
BDBM50210216 NCc1ccccc1C1(O)CCN(CC1)C(c1cccc(F)c1)c1cccc(F)c1
BDBM50210217 CC1(C)CCC(N2CCC(O)(CC2)c2ccccc2CN)c2ccccc12 |w:5.5|
BDBM50210219 CCc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50318683 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1CCc2cc(O)ccc2C1 |r|
BDBM50318684 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CO1 |r|
BDBM50318685 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CO1 |r|
BDBM50303622 Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNC(=O)CCCCC(=O)NCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
BDBM50303623 Ic1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
BDBM50303624 Ic1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:22:21:10.27.11:13|
BDBM50272328 COc1ccc(CC(=O)Oc2ccc3C[C@H]4N(CC5CCC5)CC[C@@]5(CCCC[C@@]45O)c3c2)cc1 |r|
BDBM50272329 NC(=O)COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24|
BDBM50248991 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
BDBM50248992 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccc(Cl)cc1 |r|
BDBM50210243 Cc1ccc(cc1)C(N1CCC(O)(CC1)c1ccccc1CN)c1ccc(C)cc1
BDBM50210244 CCCCCCC1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210245 NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Br)c1ccccc1Br
BDBM50210246 CNCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
BDBM50210247 CCCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:5.4|
BDBM50210249 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
BDBM50210250 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccc(F)c1
BDBM50277115 C[C@H]1C2Cc3cc4[nH]nnc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
BDBM50259345 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(F)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
BDBM50259346 [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(CF)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
BDBM50311480 CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O
BDBM50311481 CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |t:6,(25.94,-40.59,;24.4,-40.58,;23.63,-41.91,;24.4,-43.25,;22.09,-41.91,;21.32,-43.24,;21.8,-44.7,;20.55,-45.61,;20.56,-47.15,;19.24,-47.92,;19.23,-49.46,;20.57,-50.23,;21.9,-49.46,;21.9,-47.91,;19.3,-44.7,;18.52,-43.37,;16.98,-43.37,;16.21,-44.71,;16.99,-46.05,;18.54,-46.05,;14.67,-44.7,;13.9,-43.37,;12.37,-43.37,;11.6,-44.7,;12.37,-46.03,;13.91,-46.04,;10.06,-44.7,;9.29,-43.36,;9.28,-46.03,;10.46,-43.21,;19.78,-43.24,;18.87,-42,)|
BDBM50311482 CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCC(CC2)C(C)(C)C)c2ccccc12 |(6.46,-42.43,;5.12,-41.66,;3.79,-42.42,;3.78,-43.96,;2.46,-41.65,;1.12,-42.42,;-.2,-41.65,;-.2,-40.11,;-1.52,-42.41,;-1.53,-43.94,;-2.87,-43.17,;-4.2,-43.94,;-4.2,-45.48,;-2.86,-46.25,;-1.52,-45.48,;-5.53,-46.25,;-6.88,-45.47,;-8.21,-46.24,;-8.21,-47.78,;-6.88,-48.55,;-5.54,-47.79,;-9.54,-48.54,;-10.87,-47.77,;-9.54,-50.08,;-9.94,-47.06,;-.2,-44.7,;-.21,-46.24,;1.13,-47.01,;2.46,-46.24,;2.46,-44.69,;1.12,-43.94,)|
BDBM50311483 CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCCCCC2)S1(=O)=O
BDBM50311484 CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCCCCC2)c2ccccc12
BDBM50311485 CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
BDBM50311486 CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
BDBM50311487 CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCCCCCCCC2)C1=O |t:6|
BDBM50311488 CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCCCCCCCC2)c2ccccc12
BDBM50311489 CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(3.05,-10.56,;1.51,-10.56,;.74,-11.9,;1.51,-13.23,;-.8,-11.9,;-1.57,-13.23,;-1.24,-14.73,;.1,-15.49,;.11,-17.04,;-1.23,-17.81,;-2.56,-17.04,;-2.56,-15.5,;-3.7,-14.48,;-5.03,-15.26,;-6.36,-14.5,;-7.69,-15.27,;-7.69,-16.81,;-6.35,-17.58,;-5.01,-16.8,;-9.02,-17.59,;-10.35,-16.82,;-11.68,-17.59,;-11.68,-19.13,;-10.35,-19.9,;-9.01,-19.13,;-13.02,-19.89,;-14.35,-19.12,;-13.03,-21.43,;-3.09,-13.08,;-2.7,-11.58,;-4.43,-12.31,)|
BDBM50311490 CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |(14.47,8.87,;13.14,8.09,;13.14,6.55,;14.47,5.78,;11.81,5.78,;11.81,4.24,;13.13,3.47,;13.14,1.95,;14.48,1.2,;14.48,-.35,;13.14,-1.13,;11.81,-.35,;11.81,1.19,;10.49,1.94,;9.16,1.17,;7.82,1.94,;6.5,1.17,;6.49,-.37,;7.83,-1.14,;9.17,-.37,;5.16,-1.14,;3.82,-.36,;2.49,-1.13,;2.49,-2.67,;3.82,-3.44,;5.16,-2.67,;1.15,-3.43,;-.18,-2.66,;1.14,-4.97,;10.49,3.47,;9.15,4.24,)|
BDBM50311491 CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c1=O
BDBM50311496 CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c1=O
BDBM50311497 CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c1=O
BDBM50311498 CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3cccc4ccccc34)CC2)c1=O
BDBM50311499 CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(C)(C)C)CC2)c1=O
BDBM50311502 CNC(=O)Cn1c2ccccc2n(C2CCN(CC3CCCCC3)CC2)c1=O
BDBM50311472 CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(46.18,10.07,;44.85,9.29,;44.85,7.75,;46.18,6.98,;43.52,6.97,;43.52,5.43,;44.84,4.67,;44.85,3.15,;46.19,2.39,;46.19,.84,;44.85,.07,;43.52,.84,;43.52,2.38,;42.2,3.14,;40.87,2.37,;39.53,3.13,;38.21,2.36,;38.2,.82,;39.54,.06,;40.88,.83,;36.87,.06,;35.53,.83,;34.2,.07,;34.2,-1.47,;35.53,-2.24,;36.87,-1.48,;32.86,-2.24,;31.53,-1.46,;32.85,-3.78,;42.2,4.67,;40.7,4.27,;41.42,6,)|
BDBM50311473 CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)C)C1=O |t:6,(32.48,6.39,;30.94,6.4,;30.17,5.06,;30.93,3.73,;28.63,5.07,;27.85,3.74,;28.33,2.27,;27.09,1.36,;27.1,-.17,;25.77,-.94,;25.77,-2.49,;27.1,-3.26,;28.44,-2.48,;28.43,-.93,;25.84,2.27,;25.06,3.61,;23.52,3.6,;22.75,2.26,;23.52,.93,;25.07,.93,;21.21,2.27,;20.44,3.61,;18.91,3.61,;18.13,2.28,;18.9,.94,;20.44,.94,;16.59,2.28,;15.82,3.62,;15.82,.95,;26.31,3.73,;25.4,4.98,)|
BDBM50311474 CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCC(CC2)C(C)C)c2ccccc12 |(5.88,4.99,;4.55,5.76,;3.21,4.99,;3.21,3.45,;1.88,5.76,;.55,5,;-.77,5.77,;-.77,7.31,;-2.1,5,;-2.11,3.48,;-3.45,4.25,;-4.77,3.48,;-4.78,1.93,;-3.44,1.16,;-2.1,1.94,;-6.11,1.16,;-7.45,1.94,;-8.78,1.18,;-8.79,-.37,;-7.46,-1.14,;-6.11,-.37,;-10.11,-1.13,;-11.45,-.36,;-10.11,-2.67,;-.78,2.71,;-.78,1.17,;.55,.4,;1.89,1.17,;1.88,2.72,;.54,3.48,)|
BDBM50311475 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wD:19.20,22.27,(27.93,-11.32,;26.39,-11.32,;25.62,-12.66,;26.39,-13.99,;24.08,-12.66,;23.31,-13.99,;23.64,-15.49,;24.98,-16.26,;24.98,-17.81,;23.65,-18.58,;22.31,-17.81,;22.32,-16.26,;21.17,-15.25,;19.85,-16.03,;18.51,-15.26,;17.19,-16.03,;17.19,-17.57,;18.53,-18.34,;19.86,-17.56,;15.86,-18.35,;15.87,-19.89,;14.53,-20.66,;13.19,-19.89,;13.2,-18.35,;14.52,-17.58,;11.86,-20.66,;10.53,-19.89,;11.86,-22.2,;21.78,-13.84,;21.01,-12.52,)|
BDBM50311476 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wU:22.27,wD:19.20,(8.4,-11.09,;6.86,-11.09,;6.09,-12.42,;6.86,-13.76,;4.55,-12.43,;3.78,-13.76,;4.11,-15.26,;5.45,-16.02,;5.46,-17.57,;4.12,-18.34,;2.79,-17.57,;2.79,-16.03,;1.64,-15.01,;.32,-15.79,;-1.02,-15.03,;-2.34,-15.8,;-2.34,-17.34,;-1,-18.11,;.34,-17.33,;-3.67,-18.12,;-5.01,-17.35,;-6.33,-18.12,;-6.34,-19.66,;-5,-20.43,;-3.66,-19.66,;-7.67,-20.43,;-9,-19.66,;-7.67,-21.97,;2.26,-13.61,;1.48,-12.28,)|
BDBM50311477 CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
BDBM50311478 CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
BDBM50311479 CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC3CCCCC3C2)C1=O |t:6|
BDBM50311505 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC3CCCCC3C2)c1=O
BDBM50311507 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(C)(C)CC2(C)C)c1=O
BDBM50311508 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(CC2)C(C)(C)C)c1=O |(11.59,-20.2,;10.05,-20.19,;9.27,-21.51,;10.63,-22.22,;7.73,-21.5,;6.95,-22.83,;5.48,-23.3,;4.15,-22.54,;2.82,-23.31,;2.82,-24.85,;4.15,-25.63,;5.49,-24.85,;6.95,-25.32,;7.73,-26.65,;6.95,-27.98,;7.72,-29.31,;9.26,-29.32,;10.03,-27.98,;9.26,-26.64,;10.02,-30.65,;9.25,-31.97,;10.01,-33.3,;11.55,-33.31,;12.32,-31.98,;11.56,-30.64,;12.31,-34.65,;11.53,-35.98,;13.85,-34.66,;10.82,-35.04,;7.86,-24.07,;9.4,-24.07,)|
BDBM50311509 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(C)(C)CC2)c1=O
BDBM50311510 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCC2(C)C)c1=O
BDBM50311511 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCC3(CCCCC3)C2)c1=O
BDBM50311512 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCCCCCC2)c1=O
BDBM50311513 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM50311514 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCCC2)c1=O
BDBM50278436 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O |r,TLB:10:9:7.30.6:28|
BDBM50255137 CC1(CCCCCCC1)N1CCC(CC1)n1cnc2ccccc12
BDBM50199900 C[C@H]1[C@@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50199901 C[C@H]1[C@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50199902 C[C@H]1CN2C[C@@H](CC[C@@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50199903 C[C@H]1CN2CCCC[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50313226 C(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
BDBM50313227 OC(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
BDBM50313228 OC(COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)CC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
BDBM50313229 OC(CCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:23:22:14:28.11.12|
BDBM50313230 OC(CCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:15:29.12.13|
BDBM50313231 OC(CCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:25:24:16:30.13.14|
BDBM50313232 OC(CCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:26:25:17:31.14.15|
BDBM50313233 OC(CCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16|
BDBM50313234 OC(COc1ccc(Cc2ccc(OCC(O)COc3ccc4C[C@@H]5[C@@H]6CCCC[C@]6(CCN5CC5CCC5)c4c3)cc2)cc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
BDBM50313235 C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)C1CO1 |r,THB:17:16:8:22.5.6|
BDBM50313236 CCCCCCCCC(O)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
BDBM50313237 CCCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
BDBM50313238 CCCCCCCCCCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
BDBM50313239 OC(COc1ccccc1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,THB:27:26:18:32.15.16|
BDBM50314879 O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45 |r,c:2|
BDBM50273932 CN1CC[C@@]23C[C@@H]1CC[C@H]2Oc1ccc(O)cc31 |r|
BDBM50273933 Oc1ccc2O[C@@H]3CC[C@H]4C[C@@]3(CCN4CCc3ccccc3)c2c1 |r|
BDBM50258878 OC1(CC2CCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:8:4.5|
BDBM50276567 COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccccc1Br
BDBM50276624 COCCN[C@@H]1[C@H](CCc2ccccc12)c1ccsc1 |r|
BDBM50276412 COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:7|
BDBM50299381 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN)c1
BDBM50299382 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)=O
BDBM50299383 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)O
BDBM50299384 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(C=O)c1
BDBM50299394 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(=O)OC
BDBM50306287 CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(O)(CC)CC)c1cccc(c1)C(N)=O
BDBM50306288 CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
BDBM50306289 CCCCN1CCCC(C1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
BDBM50306290 CCN(C)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
BDBM50316617 Clc1ccc(CC(=O)N2C[C@H]3CC[C@@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
BDBM50316618 Clc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
BDBM50316619 Clc1ccc(CC(=O)N2C[C@H]3CC[C@H]([C@@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
BDBM50316620 Clc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13|
BDBM50261526 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O |r|
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50261527 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
BDBM50318678 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1 |r|
BDBM50254565 CC1C2Cc3ccc(cc3C1(C)CCN2C)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50254566 CC1C2Cc3ccc(cc3C1(C)CCN2CCc1ccccc1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50318412 CCCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:14.30,wD:23.23,24.32,9.10,7.6,4.3,c:5,(1.44,-11.96,;.13,-11.21,;-1.18,-11.97,;-2.5,-11.22,;-3.84,-12,;-4.9,-12.35,;-5.41,-13.12,;-6.51,-13.54,;-6.51,-12,;-5.17,-11.22,;-5.17,-9.68,;-3.85,-8.91,;-6.51,-8.92,;-5.19,-8.15,;-7.84,-14.32,;-7.84,-15.86,;-6.51,-16.62,;-6.51,-18.16,;-5.18,-18.93,;-3.84,-18.16,;-2.51,-18.94,;-3.84,-16.64,;-2.91,-15.03,;-3.83,-13.54,;-5.17,-14.31,;-6.68,-14.89,;-8.41,-14.87,;-9.17,-13.56,;-10.49,-14.32,;-5.17,-15.86,)|
BDBM50318413 CCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:13.29,wD:22.22,23.31,8.9,6.5,3.2,c:4,(32.35,2.87,;31.04,2.11,;29.73,2.86,;28.39,2.08,;27.33,1.73,;26.82,.96,;25.72,.54,;25.72,2.08,;27.06,2.86,;27.05,4.4,;28.38,5.17,;25.72,5.16,;27.04,5.93,;24.39,-.24,;24.39,-1.78,;25.72,-2.54,;25.72,-4.08,;27.05,-4.85,;28.39,-4.08,;29.72,-4.85,;28.39,-2.56,;29.32,-.95,;28.39,.54,;27.06,-.23,;25.54,-.81,;23.82,-.79,;23.06,.52,;21.73,-.24,;27.06,-1.78,)|
BDBM50318414 CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:12.28,wD:21.21,22.30,7.8,5.4,2.1,c:3,(13.48,2.74,;12.17,3.49,;10.83,2.71,;9.77,2.36,;9.26,1.59,;8.16,1.17,;8.16,2.71,;9.5,3.49,;9.49,5.03,;10.82,5.8,;8.16,5.79,;9.48,6.56,;6.83,.39,;6.83,-1.15,;8.16,-1.91,;8.16,-3.45,;9.49,-4.22,;10.83,-3.45,;12.16,-4.22,;10.83,-1.93,;11.76,-.31,;10.84,1.17,;9.5,.4,;7.99,-.18,;6.26,-.16,;5.5,1.16,;4.18,.39,;9.5,-1.15,)|
BDBM50318415 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@]4(OCC2CC2)C=C1)ccc5O |r,wU:11.12,wD:5.5,4.8,14.17,12.31,19.23,c:30,(6.18,-14.36,;7.51,-13.59,;8.27,-14.91,;9.99,-14.93,;11.51,-14.35,;12.85,-13.58,;13.77,-15.06,;12.84,-16.68,;11.51,-15.9,;10.17,-16.66,;8.84,-15.9,;8.84,-14.36,;10.17,-13.58,;10.17,-12.04,;11.51,-11.26,;11.5,-9.72,;12.83,-8.95,;10.17,-8.95,;11.49,-8.18,;12.84,-12.04,;14.18,-11.26,;15.49,-12.01,;16.8,-11.25,;18.31,-11.24,;17.55,-9.93,;11.78,-12.39,;11.27,-13.16,;10.17,-18.2,;11.5,-18.97,;12.84,-18.2,;14.17,-18.97,)|
BDBM50254568 C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3|
BDBM50254570 NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:10:9:6.24.7:22|
BDBM50254571 NC(=O)c1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
BDBM50254572 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](O)CC[C@@]35O |r|
BDBM50254573 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
BDBM50254575 NC(=O)c1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@H]5Oc1c2[C@]45CCN3CC=C |r,c:10|
BDBM50284689 Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
BDBM50284690 Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
BDBM50277113 C[C@H]1C2Cc3cc4[nH]c(C)nc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3|
BDBM50261483 CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
BDBM50281663 CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11|
BDBM50281660 CN(C1CCCCC1)C(=O)Cc1c(OCCN2CCCC2)ccc2ccccc12
BDBM50281661 O=C1Cc2cccc(OCCCCNCCN1)c2
BDBM50281662 O=C(Cc1cccc2occc12)NCC12CCCN1CCC2
BDBM50276495 COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1sccc1Cl |c:7|
BDBM50277101 C[C@H]1C2Cc3cc4[nH]cnc4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
BDBM50277117 C[C@H]1C2Cc3ccc4nc(C)[nH]c4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:12:13:1:18.17.16,19:18:1:4.13.3|
BDBM50313167 Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11|
BDBM50278336 C[N+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5C(N)=O |r|
BDBM50295161 CO[C@@H]1O[C@H](OC)[C@](O)([C@@H]1O)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |r|
BDBM50313163 Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:11|
BDBM50313164 COc1cccc(C)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:12|
BDBM50313165 Oc1ccccc1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:10|
BDBM50313166 Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11|
BDBM50276566 COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccc(Cl)cc1
BDBM50130600 COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C(/C)c3ccccc3)c2c1O |TLB:36:35:16:8.11.10,4:5:16:8.11.10|
BDBM50130601 COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\C)c2c1O |TLB:30:29:16:8.11.10,4:5:16:8.11.10|
BDBM50130602 COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34CCC5=O)=C\c3ccccc3)c2c1O |TLB:4:5:16:8.11.10,29:28:16:8.11.10,THB:21:14:12:17.19.18|
BDBM50259396 [H][C@]12CC[C@]([H])(C[C@@](N)(C1)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:17:3.2|
BDBM50259397 [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
BDBM50259398 [H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
BDBM50259399 [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
BDBM50260633 C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
BDBM50296579 Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r|
BDBM50254515 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1NC2C(C[C@@]4(O)[C@H]6Cc7ccc(C(N)=O)c8O[C@@H]2[C@]4(CCN6CC2CC2)c78)C1C[C@@]35O |r|
BDBM50254516 CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(c1)C(N)=O |r|
BDBM50278264 C[N+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c31 |r|
BDBM50259511 COC(=O)NC1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cn1 |r,TLB:4:5:12:8.9|
BDBM50259512 [H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
BDBM50255898 CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
BDBM50276410 COCCN(C1C(CCc2ccccc12)c1ccsc1)C(=O)c1cc(C)nn1C
BDBM50276411 COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccco1 |c:7|
BDBM50241341 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5O |r|
BDBM50267554 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
BDBM50316615 COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
BDBM50316616 COC(=O)N1C[C@@H]2[C@H](CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5|
BDBM50124002 C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(N)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
BDBM50147744 CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccc(cc1)C1CCCCC1
BDBM50144279 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#8])\c1ccccc1
BDBM50144280 O=[#6](-[#7]-c1ccccc1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144281 [#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144282 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]=[#6])\c1cccc(-[#8])c1
BDBM50265405 CN1CCC(CC1)(C#N)c1ccccc1
BDBM50147743 O=C1Cc2ccccc2N1C1CCN(CC1)C1C2CCCC1CCC2 |THB:13:16:19.18.20:23.24.22|
BDBM50133261 C[C@@H]([C@@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
BDBM50133264 C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
BDBM50133265 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50265432 CC(=C)CN1CCC(CC1)(C#N)c1ccccc1
BDBM50265434 N#CC1(CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50268465 Oc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
BDBM50058657 CCCCc1c(C)[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc12)ccc4O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21|
BDBM50058658 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:26:25:18.4.5:7.13.12,THB:8:7:25:18.4.5,17:18:25:7.13.12|
BDBM50058659 Cc1[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c1C)ccc4O |THB:12:11:19:7.8.9,6:7:19:11.17.16,20:19:7.8.9:11.17.16|
BDBM50058660 Cc1[nH]c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c1Cc1ccccc1)ccc4O |THB:12:11:19:7.8.9,6:7:19:11.17.16,20:19:7.8.9:11.17.16|
BDBM50166066 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50166067 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50166068 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1[C@H](Cc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50166069 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50159166 COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50159168 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
BDBM50245891 COc1cccc(n1)C1(CNC(C)=O)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:8:20:16.17,6:8:20:16.17|
BDBM50245893 Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)OCN(CCc2ccccc2)C1=O |r,THB:21:22:4.18.5:7.12.13,23:22:4.18.5:7.12.13|
BDBM50245894 Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,TLB:8:7:29:5.31.4|
BDBM50246027 CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Br)cn1 |r,TLB:4:5:12:8.9|
BDBM50200619 CCCCNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:22.23|
BDBM50200620 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCc3ccccc3)c2=O)C(C)C)c1 |w:9.8|
BDBM50246025 CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ncccc1CN1CCCCC1 |r,TLB:4:5:12:8.9|
BDBM50246026 COc1ccc(nc1)C1(CNC(C)=O)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:8:20:16.17|
BDBM50058153 CN1CCC23C4Oc5c2c(CC1[C@]3(O)CC1(Cc2cc3ccccc3cc2C1)C4=O)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50058154 COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28|
BDBM50210374 OC1(CCN(CC1)C(c1ccccc1)c1ccc(Br)cc1)c1ccccc1 |w:7.7|
BDBM50210375 OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
BDBM50210376 OC1(CCN(CC1)C(c1ccccc1)c1cccc(c1)C(F)(F)F)c1ccccc1 |w:7.8|
BDBM50210377 CCCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:4.3|
BDBM50210378 CCOC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
BDBM50210380 CC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:1.0|
BDBM50210381 COC(=O)C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:4.4|
BDBM50210382 OC(=O)c1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:9.10|
BDBM50210383 Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
BDBM50210384 CCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:2.1|
BDBM50264073 N(c1nc(cs1)-c1ccccn1)c1ccccc1
BDBM50051293 CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
BDBM50175738 Fc1cccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)c1
BDBM50266337 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|
BDBM50120152 N[C@@H]([C@@H]1CCN1C(c1ccc(Br)cc1)c1ccc(Br)cc1)c1cccc(Cl)c1
BDBM50120153 CCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1cccc(F)c1
BDBM50120154 N[C@@H]([C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1)c1cccc(Cl)c1
BDBM50120155 N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1
BDBM50120156 N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1
BDBM50266025 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
BDBM50266857 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccccn1 |r|
BDBM50266859 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccncc1 |r|
BDBM50261688 C[C@H]1C2Cc3cc4ncnc(NCc5ccccc5)c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:20:21:1:26.24.25,27:26:1:4.21.3|
BDBM50261689 C[C@H]1C2Cc3ccc(O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
BDBM50124004 C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
BDBM50297170 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
BDBM50144295 O=[#6](-[#7]-c1nccs1)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144296 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#8]-c1ccccc1)\c1ccccc1
BDBM50144297 [#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144292 F[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50144293 [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6])\c1cccc(-[#8]-[#6])c1
BDBM50144294 O=[#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
BDBM50175732 Fc1ccc(Cn2ccnc2C2(CCN(CC2)C(=O)Nc2ccccc2)c2ccccc2)cc1
BDBM50175733 Fc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50175734 C(c1ccccc1)n1ccnc1C1(CCN(CC1)c1nccs1)c1ccccc1
BDBM50175735 Fc1ccccc1Cn1ccnc1C1(CCN(CC1)C(=O)Nc1ccccc1)c1ccccc1
BDBM50175736 O=C(Nc1ccccc1)N1CCC(CC1)(c1nccn1C(=O)c1ccccc1)c1ccccc1
BDBM50175737 COc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213372 CCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213373 Cc1cc(C)cc(c1)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213376 COCC(=O)N1CCC(CC1)(c1nccn1C(C)c1ccccc1)c1ccccc1 |w:16.18|
BDBM50213377 COC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213378 O=C(OC1CCCCC1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213380 CC(C)OC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213381 COCC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(cc1)C(=O)OC)c1ccccc1
BDBM50213382 CCOC(=O)N1CCC(CC1)(c1nccn1C\C=C\c1ccccc1)c1ccccc1
BDBM50213383 CCN(CC)C(=O)c1ccc(Cn2ccnc2C2(CCN(CC2)C(=O)c2ccccc2)c2ccccc2)cc1
BDBM50213384 O=C(Cc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213385 CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(F)cc1)c1ccccc1
BDBM50213386 COCC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213387 CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(cc1)C(=O)OC)c1ccccc1
BDBM50213388 CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(OC)c1)c1ccccc1
BDBM50213389 O=C(C1CC1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50213390 CC(C)(C)OC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50088709 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1)c1ccccc1
BDBM50258879 OC1(CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:4.5.6:9,THB:23:1:4.5.6:9|
BDBM50258880 Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11|
BDBM50258881 OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
BDBM50175723 CN(C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1)c1ccccc1
BDBM50175724 Fc1cccc(Cn2ccnc2C2(CCN(CC2)C(=O)Nc2ccccc2)c2ccccc2)c1
BDBM50175725 C(c1ccccc1)n1ccnc1C1(CCN(CC1)c1nc2ccccc2s1)c1ccccc1
BDBM50175726 O=C(Nc1ccccc1)N1CCC(CC1)(c1ncc[nH]1)c1ccccc1
BDBM50175727 CC(c1ccccc1)n1ccnc1C1(CCN(CC1)C(=O)Nc1ccccc1)c1ccccc1
BDBM50175728 COc1ccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)cc1
BDBM50175729 Fc1ccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)cc1
BDBM50170671 COC(=O)[C@@H]1C[C@H](OC(=O)C(=O)OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50170672 CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
BDBM50159924 CCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50159925 Cc1ccc(Cl)c(OC(Cc2ccccc2)C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
BDBM50159927 CN(C)C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)C1(CCCCC1)Oc1cc(C)ccc1Cl
BDBM50199915 C[C@H]1CN2CCN(Cc3cccnc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199916 C[C@H]1CN2CCN(CCCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50120879 C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc(O)c1)N(C)C)C(O)=O
BDBM50120880 C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O
BDBM50175716 COc1cccc(Cn2ccnc2C2(CCN(CC2)C(=O)Nc2ccccc2)c2ccccc2)c1
BDBM50175717 O=S(=O)(Nc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50175718 CN1CCN(CC1)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50175719 C(c1ccccc1)n1ccnc1C1(CCN(CC1)c1ncccn1)c1ccccc1
BDBM50175720 NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50175721 NS(=O)(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50175722 Cn1c(nc2ccccc12)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
BDBM50246400 COc1cccc(n1)C1(CN)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:8:17:13.14|
BDBM50246401 NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |r,TLB:1:2:9:5.6,THB:25:2:9:5.6|
BDBM50246402 CNCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |r,TLB:2:3:10:6.7,THB:26:3:10:6.7|
BDBM50246403 CN(C)CC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |r,TLB:3:4:11:7.8,THB:27:4:11:7.8|
BDBM50254507 [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#7])=O |r,TLB:15:14:1:4.9.3|
BDBM50254509 C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3|
BDBM50254510 CC1C2N(CC3CC3)CCC1(C)c1cc(ccc1C2=O)C(N)=O |TLB:13:12:1:3.8.9,4:3:1:17.12.18,THB:19:18:1:3.8.9|
BDBM50254511 O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
BDBM50254512 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O |r|
BDBM50254514 CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
BDBM50176702 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
BDBM50176703 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
BDBM50266886 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cc2ccccc2cn1 |r|
BDBM50266887 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2n1 |r|
BDBM50120874 CON[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
BDBM50120875 [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM50120876 [#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O)-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7]
BDBM50120877 CN[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)C(O)=O
BDBM50120878 [#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM50188810 O=C1NC[C@H](c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
BDBM50188811 Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccc(F)cc1
BDBM50188813 Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccc(F)cc1
BDBM50182939 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
BDBM50060070 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50059819 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N(C)C
BDBM50138432 CCC(=O)N(CCNC(N)=N)C1CCN(CCc2ccccc2)CC1
BDBM50138433 CCC(=O)N(CCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
BDBM50138434 CCC(=O)N(CCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
BDBM50204791 Cc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1C
BDBM50210394 OCc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
BDBM50182942 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
BDBM50182943 Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
BDBM50059813 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCCC1
BDBM50059814 CCCN(CCC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50059815 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCCCC1
BDBM50059816 CCCCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50188809 O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
BDBM50123985 C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
BDBM50221413 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O
BDBM50221414 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Cl)cc12)ccc5O
BDBM50221415 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Br)cc12)ccc5O
BDBM50221416 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
BDBM50221417 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(I)cc12)ccc5O
BDBM50221418 Cc1cccc(C)c1Cc1[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
BDBM50221419 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
BDBM50221420 Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1
BDBM50221421 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCc1nc(C)c(C)[nH]c1=O
BDBM50221422 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(C)[nH]c1=O
BDBM50221423 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O
BDBM50221424 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
BDBM50221425 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(C)nc1C
BDBM50221426 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1nc(C)c(C)[nH]c1=O
BDBM50221427 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)cnc1C
BDBM50221428 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(C)[nH]c1=O
BDBM50221429 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O
BDBM50302777 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccncc2)CC1)c1cccc(O)c1
BDBM50302778 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2nccn2C)CC1)c1cccc(O)c1
BDBM50325849 NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 |r,TLB:17:16:9.10.15:12.13|
BDBM50325534 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
BDBM50199943 C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50323040 CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
BDBM50204452 O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:26:25:14.31.15:17,32:31:17:25.23.24|
BDBM50204453 O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:26:25:14.30.15:17,31:30:17:25.23.24|
BDBM50204454 CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:21:20:9.26.10:12,27:26:12:20.18.19|
BDBM50204455 CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:20:19:8.25.9:11,26:25:11:19.17.18|
BDBM50199894 C[C@H]1CN2CCCC[C@@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199895 C[C@H]1CN2C[C@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50293855 OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
BDBM50293856 OC[C@@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
BDBM50293857 OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
BDBM50300356 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
BDBM50300357 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(C(=O)CBr)C(=O)CBr)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
BDBM50268526 COc1ccc(C[C@@H]2NC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |r|
BDBM50268527 Fc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)cc1 |r|
BDBM50273464 Oc1cccc2c1O[C@@H]1[C@@H]3CCC[C@]21CCN3CCc1ccccc1 |r,THB:17:16:8:10.11.12|
BDBM50290870 CCN(CC)C(=O)c1[nH]c2C[C@H]3CN(C)CC[C@@]3(Cc2c1C)c1cccc(O)c1
BDBM50290871 CCN1CC[C@@]2(Cc3[nH]c(C(=O)N(C)C)c(C)c3C[C@H]2C1)c1cccc(O)c1
BDBM50290872 CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
BDBM50272296 O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)Cc3ccccc3)cc12 |r|
BDBM50272297 CC(C(=O)Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1)c1ccc(C)cc1 |r|
BDBM50272298 O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)COc3ccccc3)cc12 |r|
BDBM50272299 O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)c3ccc(cc3)-c3ccccc3)cc12 |r,TLB:10:9:17.37.16:1|
BDBM50299696 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccc(cc1)C(C)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc2ncnc(NC3CCCC3)c2[nH]1 |r|
BDBM50261480 C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
BDBM50261481 C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50261482 C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
BDBM50259514 [H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:3.2|
BDBM50259515 COCCNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:5:7:14:10.11|
BDBM50259516 CC(O)CNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:5:7:14:10.11|
BDBM50300364 CC[C@]12CCN(C[C@@H](O)c3ccccc3)C[C@H]1Oc1ccc(O)cc21 |r|
BDBM50300365 CC[C@]12CCN(CCc3ccccc3)C[C@H]1Oc1ccc(O)cc21 |r|
BDBM50300366 CC[C@]12CCN(C)C[C@H]1Oc1ccc(O)cc21 |r|
BDBM50300367 CC[C@]12CCNC[C@H]1Oc1ccc(O)cc21 |r|
BDBM50300368 CC[C@@]12CCN(C[C@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc21 |r|
BDBM50300369 CC[C@@]12CCN(C[C@@H](O)c3ccccc3)C[C@@H]1Oc1ccc(O)cc21 |r|
BDBM50300370 CC[C@@]12CCNC[C@@H]1Oc1ccc(O)cc21 |r|
BDBM50325848 Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)s1 |r,TLB:5:6:12.13.11:8.9|
BDBM50325850 CN(C)C(=O)N[C@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,6.5,wD:9.9,17.20,TLB:10:11:17.18.16:13.14,(2.63,-3.14,;1.38,-2.24,;1.53,-.7,;-.03,-2.87,;-1.28,-1.97,;-.18,-4.4,;1.07,-5.3,;2.47,-4.67,;3.72,-5.56,;3.57,-7.09,;4.82,-7.98,;6.44,-7.05,;7.01,-8.98,;5.5,-8.7,;4.84,-7.22,;5.4,-5.92,;6.89,-5.52,;8.14,-6.45,;8.18,-7.97,;9.5,-5.73,;10.8,-6.55,;10.74,-8.1,;12.04,-8.92,;13.4,-8.21,;13.46,-6.66,;12.16,-5.84,;14.82,-5.94,;16.13,-6.76,;14.88,-4.4,;2.17,-7.74,;.91,-6.83,)|
BDBM50325851 CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,6.5,wD:9.9,18.21,TLB:11:12:18.19.17:14.15,(-3.99,-5.38,;-5.4,-6.01,;-6.65,-5.11,;-5.55,-7.54,;-6.96,-8.18,;-4.3,-8.44,;-2.9,-7.81,;-2.74,-6.28,;-1.34,-5.65,;-.1,-6.55,;1.3,-5.91,;2.56,-6.8,;4.18,-5.87,;4.75,-7.8,;3.24,-7.52,;2.58,-6.03,;3.14,-4.74,;4.63,-4.34,;5.87,-5.26,;5.92,-6.79,;7.24,-4.55,;8.54,-5.37,;8.47,-6.92,;9.78,-7.74,;11.14,-7.03,;11.2,-5.48,;9.9,-4.66,;12.56,-4.76,;13.87,-5.58,;12.62,-3.22,;-.24,-8.08,;-1.65,-8.71,)|
BDBM50136595 C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(N)c1
BDBM50136596 CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)c1ccccc1
BDBM50136597 C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50199933 C[C@H]1CN2C[C@@H](N(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(C)=O)c1ccccc1 |r|
BDBM50084988 COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
BDBM50084989 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccsc1
BDBM50084990 COc1cc2CN([C@@H](Cc2cc1-c1ccc(F)cc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C
BDBM50325274 CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
BDBM50290967 CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2occc12
BDBM50304075 CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50304076 CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1ccc(cc1)C(C)(C)C
BDBM50304077 COc1cccc(c1)-c1nc(CN(C)C)nn1-c1ccc(cc1)C(C)(C)C
BDBM50304078 COc1cccc(c1)-c1nc(CN(C)C)nn1-c1cccc(c1)C(C)(C)C
BDBM50304079 COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(C)cc1C
BDBM50304080 COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(cc1)C(C)(C)C
BDBM50304081 COc1cccc(c1)-n1nc(CN(C)C)nc1-c1cccc(c1)C(C)(C)C
BDBM50304082 CN(C)Cc1nc(-c2cccc(c2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50304083 CN(C)Cc1nc(-c2ccc(C)cc2C)n(n1)-c1cccc(O)c1
BDBM50304084 CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1cccc(c1)C(C)(C)C
BDBM50325852 CN(C)C(=O)N[C@@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:15.15,12.11,wD:9.9,17.20,6.5,TLB:10:11:17.18.16:13.14,(6.65,-9.2,;5.4,-8.3,;5.56,-6.77,;4,-8.94,;2.75,-8.04,;3.85,-10.47,;5.1,-11.37,;6.5,-10.74,;7.75,-11.63,;7.6,-13.16,;8.85,-14.05,;10.47,-13.12,;11.04,-15.05,;9.53,-14.77,;8.87,-13.28,;9.43,-11.99,;10.92,-11.59,;12.17,-12.51,;12.21,-14.04,;13.53,-11.8,;14.83,-12.62,;14.76,-14.17,;16.07,-14.99,;17.43,-14.27,;17.49,-12.73,;16.19,-11.91,;18.85,-12.01,;20.16,-12.83,;18.91,-10.47,;6.2,-13.8,;4.94,-12.9,)|
BDBM50325853 CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1 |r,wU:16.16,13.12,wD:9.9,18.21,6.5,TLB:11:12:18.19.17:14.15,(4,-10.81,;2.6,-11.44,;1.35,-10.54,;2.44,-12.97,;1.04,-13.61,;3.69,-13.87,;5.1,-13.24,;5.25,-11.71,;6.65,-11.08,;7.9,-11.98,;9.3,-11.34,;10.55,-12.23,;12.17,-11.3,;12.75,-13.23,;11.23,-12.95,;10.57,-11.46,;11.14,-10.17,;12.63,-9.77,;13.87,-10.69,;13.92,-12.22,;15.23,-9.98,;16.54,-10.8,;16.47,-12.35,;17.77,-13.17,;19.14,-12.45,;19.2,-10.91,;17.9,-10.09,;20.56,-10.19,;21.86,-11,;20.62,-8.65,;7.76,-13.51,;6.35,-14.14,)|
BDBM50325854 NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
BDBM50325855 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
BDBM50325856 NC(=O)c1cccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
BDBM50325857 NC(=O)c1cccc(C[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
BDBM50325858 NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|