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5399 SMILES Strings for Kappa-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
BDBM26943 CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O)C(C)C
BDBM32147 Oc1c(Cl)cc(Cl)c2cccnc12
BDBM26950 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
BDBM33163 [#6]-c1nc2scc(-c3ccccc3)c2c(=O)n1\[#7]=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1 |c:22,26|
BDBM32957 CC1=CC(CC(C)(C)C1)=NNC(=S)Nc1cccnc1 |w:9.10,t:1|
BDBM33180 Cc1nnc(Sc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)s1
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
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
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
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
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
BDBM26895 O=C1N(CC2CCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM26911 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CC1)C2=O)c1ccccc1)c1ccccc1Cl
BDBM26896 O=C1N(CC2CCCCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
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|
BDBM22165 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
BDBM22199 Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
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
BDBM50335577 CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CCCCCCC1)C(O)=O
BDBM32188 Oc1c(I)cc(Cl)c2cccnc12
BDBM33080 CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([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|
BDBM32360 CC(N=Nc1ncc(Cl)cc1Cl)c1ccccn1 |w:3.3|
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|
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|
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
BDBM33108 CC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
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|
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|
BDBM50088375 CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1)C(=O)C1C(=C1c1ccccc1)c1ccccc1 |c:23|
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|
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|
BDBM50086682 COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
BDBM50013847 CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+]([O-])=O)cc1
BDBM50153140 O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1CCc2ccccc2C1
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|
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|
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|
BDBM50092698 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#7])c1
BDBM50019056 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
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
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
BDBM50108445 Clc1ccc(cc1)-c1ccc(=O)n(c1)C(CN1CCCC1)c1ccccc1
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
BDBM50108449 O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1cc2ccccc2o1
BDBM50108450 Clc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
BDBM50108451 O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1cccs1
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
BDBM50174967 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2cc(NS(C)(=O)=O)ccc2O1
BDBM50174968 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1
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,)|
BDBM50102711 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)C1Cc2ccc(O)cc2CN1
BDBM50105099 Clc1cc2OCOc2cc1COC(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
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|
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
BDBM50130563 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
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
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|
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
BDBM50174944 CCCS(=O)(=O)NCc1ccc2O[C@@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
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
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
BDBM50174946 COC(=O)Nc1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
BDBM50174947 COC(=O)Nc1ccc2O[C@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
BDBM50174948 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2cccc(NS(C)(=O)=O)c2O1
BDBM50174949 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(NS(C)(=O)=O)ccc2O1
BDBM50174950 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(ccc2O1)S(N)(=O)=O
BDBM50174957 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cccc(NS(C)(=O)=O)c2O1
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
BDBM50174962 COC(=O)Nc1ccc2O[C@@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
BDBM50174963 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cc(NS(C)(=O)=O)ccc2O1
BDBM50174964 CCCS(=O)(=O)Nc1ccc2O[C@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
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
BDBM50186209 CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C1CCC1)C1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:22:33:5:26.27.28,18:17:5:26.27.28,8:7:24.25:4.3|
BDBM50065353 CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50039097 Clc1ccc(CC(=O)N2CCc3occc3C2CN2CCC=CC2)cc1Cl |c:23|
BDBM33119 CCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
BDBM33120 CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
BDBM33121 CCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
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
BDBM33175 Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|
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
BDBM50194393 CC(N(C)C(=O)OCC1c2ccccc2-c2ccccc12)C(=O)OC[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
BDBM50194394 CC(=O)O[C@H]1C[C@@H](COC(=O)c2cccc(F)c2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50194395 CC(=O)O[C@H]1C[C@@H](COC(=O)c2ccc(Br)cc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50194396 CC(=O)O[C@H]1C[C@@H](COC(=O)c2ccc(F)cc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50194397 CCOC[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
BDBM50194398 CC(=O)O[C@H]1C[C@@H](COC(=O)C(NC(=O)OCC2c3ccccc3-c3ccccc23)c2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50147750 O=C1Cc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
BDBM50087458 NC(=N)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|
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|
BDBM50189143 CCNC(=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
BDBM50189144 CN[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
BDBM50093963 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(N)cc1
BDBM50093959 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)N(S(C)(=O)=O)S(C)(=O)=O
BDBM50093960 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1N(S(C)(=O)=O)S(C)(=O)=O
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
BDBM50189135 CCNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@H]1CO[C@@H](CC21C)c1ccoc1
BDBM50093961 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)N(S(C)(=O)=O)S(C)(=O)=O
BDBM50093962 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1C(F)(F)F
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50189165 CCO[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
BDBM50189166 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
BDBM50189167 CN[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
BDBM50189168 CNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@@H]1CO[C@@H](CC21C)c1ccoc1
BDBM50189169 CCNC(=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
BDBM50189170 CCO[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
BDBM50189171 CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC(=O)[C@@H]3CO[C@@H](CC3(C)[C@H]2C1=O)c1ccoc1
BDBM50189172 CN(C)C[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@@H]1CO[C@@H](CC21C)c1ccoc1
BDBM50189173 CNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@H]1CO[C@@H](CC21C)c1ccoc1
BDBM50189174 COC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@@H]1CO[C@@H](CC21C)c1ccoc1
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
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,)|
BDBM50045179 COC(=O)N1CCN([C@@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50045181 CCC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
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
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
BDBM50045189 Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)C=C)cc1Cl
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
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
BDBM50125464 Cc1ccc(Nc2cccn(C(CN3CCCC3)c3ccccc3)c2=O)cc1
BDBM50125465 O=c1c(cncn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
BDBM50125466 COc1ccc(F)cc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
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|
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
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
BDBM50161311 COc1ccc(cc1)C(=O)NCC(=O)N(C)[C@H](CN1CC[C@@H](O)C1)c1ccccc1
BDBM50161312 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)OCc1ccccc1
BDBM50161313 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)c1ccccc1
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,)|
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
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
BDBM50189134 COC(=O)[C@@H]1C[C@@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50039098 OC1CCN(CC2N(CCc3occc23)C(=O)Cc2ccc(Cl)c(Cl)c2)C1
BDBM50039099 Clc1ccc(CC(=O)N2CCc3occc3C2CN2CCC(=O)C2)cc1Cl
BDBM50039100 OC1CCN(CC2N(CCc3c(O)cccc23)C(=O)Cc2ccc(Cl)c(Cl)c2)C1
BDBM50039101 Cc1cc2C(CN3CCC(O)C3)N(CCc2o1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50039102 O[C@@H]1CCN(C[C@H]2N(CCc3occc23)C(=O)Cc2ccc(Cl)c(Cl)c2)C1
BDBM50039103 O[C@H]1CCN(C[C@@H]2N(CCc3occc23)C(=O)Cc2ccc(Cl)c(Cl)c2)C1
BDBM50039104 O[C@H]1CCN(C[C@H]2N(CCc3occc23)C(=O)Cc2ccc(Cl)c(Cl)c2)C1
BDBM50039105 CN(C)CC1N(CCc2occc12)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50039107 Clc1ccc(CC(=O)N2CCc3occc3C2CN2CCCC2)cc1Cl
BDBM50165049 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
BDBM50272498 COc1ccc(Br)cc1S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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
BDBM50071370 CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
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
BDBM50000569 CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
BDBM50010539 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50010540 CCNC(=O)[C@H](CC(C)C)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](Cc1ccc(O)cc1)NC
BDBM50010541 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=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|
BDBM50143269 [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](-[#7])=O
BDBM50143270 [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
BDBM50143271 [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
BDBM50143272 [H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
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
BDBM50188154 CNC[C@H](Cc1ccc(O)cc1)N(C[C@@H](N)Cc1ccc(O)cc1)Cc1ccccc1
BDBM50188178 CN(C)[C@H](CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
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
BDBM50188155 CNC[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1
BDBM50188157 CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1
BDBM50188177 CN[C@H](CN[C@H](CN)Cc1ccc(O)cc1)Cc1ccc(O)cc1
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
BDBM50000280 Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=C)CC2)cc1Cl
BDBM50000281 CC1(CN2CCCC2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000282 Clc1ccc(CC(=O)N2CCCCC2CN2CCCO2)cc1Cl
BDBM50000283 Clc1ccc(CC(=O)N2CC(=O)CC[C@H]2CN2CCCC2)cc1Cl
BDBM50000284 C[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000285 COC(=O)C1=CCCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1 |t:4|
BDBM50000286 Clc1ccc(CC(=O)N2CCC3(CC2CN2CCCC2)SCCS3)cc1Cl
BDBM50010542 CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O
BDBM50010533 CC(C)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)CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50010534 CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=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](Cc1ccc(O)cc1)NC
BDBM50010535 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50017231 CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
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
BDBM50017233 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
BDBM50017236 CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(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,)|
BDBM50019481 CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(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(O)=O)C(O)=O |r|
BDBM50019482 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)=O |r|
BDBM50189145 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|
BDBM50189146 CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC(=O)[C@H]3CO[C@@H](CC3(C)[C@H]2C1=O)c1ccoc1
BDBM50189147 CN(C)C(=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
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
BDBM50189149 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
BDBM50189150 CCN[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
BDBM50189151 CCN([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)C(=O)CC
BDBM50189152 CCN([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)C(C)=O
BDBM50189153 CCNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@@H]1CO[C@@H](CC21C)c1ccoc1
BDBM50189154 CCC(=O)N(C)[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
BDBM50189155 CO[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
BDBM50189156 CO[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
BDBM50189157 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
BDBM50189158 COC(=O)[C@@H]1C[C@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50189159 CCN[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
BDBM50189160 CNC(=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
BDBM50189161 CN(C)C(=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
BDBM50189162 COC(=O)[C@@H]1C[C@H](N(C)C(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50189163 CCN([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)C(C)=O
BDBM50189164 CN(C)C[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@H]1CO[C@@H](CC21C)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|
BDBM50188149 CNC[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C
BDBM50188150 CNC[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C
BDBM50188151 CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C
BDBM50188153 CNC[C@H](Cc1ccc(O)cc1)N(C[C@H](Cc1ccc(O)cc1)NC)Cc1ccccc1
BDBM50188163 CN(C)[C@H](CN[C@H](CN)Cc1ccc(O)cc1)Cc1ccc(O)cc1
BDBM50188164 NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1
BDBM50188166 CNC[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C
BDBM50188168 CN[C@H](CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
BDBM50188172 CNC[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C
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
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|
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|
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|
BDBM50010532 CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
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
BDBM50010529 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50010530 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50010531 CC(C)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](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50218793 COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
BDBM50218794 COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
BDBM50218795 COc1c(O)ccc2C[C@H]3N(CC4CC4)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
BDBM50272444 FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
BDBM50143611 C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CCC1 |TLB:19:18:1:13.4.3|
BDBM50272414 Clc1ccc2oc(=O)n(CC(=O)N3CCN(CC3CN3CCCC3)S(=O)(=O)c3cccc(c3)C#N)c2c1
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|
BDBM50143610 Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1 |THB:14:13:6.5.10:21.19.20|
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|
BDBM50229594 COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
BDBM50176376 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)C#N
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
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
BDBM50033641 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |r,THB:10:9:5.4.6:17|
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
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
BDBM50173275 O=C1N(CC2CO2)c2ccccc2C11CCN(CC2CCCCCCC2)CC1
BDBM50175740 COc1cccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)c1
BDBM50175741 O=C(Nc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
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|
BDBM50000262 NC(=O)[C@@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000263 Clc1ccc(CC(=O)N2CC3(CC[C@H]2CN2CCCC2)OCCO3)cc1Cl
BDBM50000264 O[C@H]1CCCN([C@@H]1CN1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50176367 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1cccc(c1)C#N
BDBM50176368 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(CNS(C)(=O)=O)cc1
BDBM50176369 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1
BDBM50176370 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)[N+]([O-])=O
BDBM50176371 CCCS(=O)(=O)Nc1ccc(NCC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
BDBM50176372 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1CNS(C)(=O)=O
BDBM50176373 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1C#N
BDBM50176374 CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1
BDBM50176375 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(Cl)c(Cl)c1
BDBM50176362 CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccc(cc1)C#N
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
BDBM50176365 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)C(F)(F)F
BDBM50176366 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1cccc(CNS(C)(=O)=O)c1
BDBM50105101 Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105102 CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50105103 Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
BDBM50160832 CN(C(CN1CCCC1)c1cccc(O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
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|
BDBM50000288 Clc1ccc(CC(=O)N2CCCCC2CN2CC\C(C2)=C\C#N)cc1Cl
BDBM50000289 COC(=O)[C@@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000290 O[C@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000291 NC(=O)[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000292 Clc1ccc(CC(=O)N2CCCCC2CN2CC=CC2)cc1Cl |c:18|
BDBM50000293 Clc1ccc(CC(=O)N2CCC3(CC2CN2CCCC2)OCCO3)cc1Cl
BDBM50000294 Clc1ccc(CC(=O)N2CCCC(=O)C2CN2CCCC2)cc1Cl
BDBM50000295 O[C@@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000296 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50000297 Clc1ccc(CC(=O)N2CCCCC2CN2CCC=CC2)cc1Cl |c:19|
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,)|
BDBM50122524 [H][C@@]1(C)N(C)[C@]2([H])Cc3cc(OC)c(OC)cc3[C@]1([H])C1=CC(OC)=C(C[C@]21[H])OC |c:26,t:22,TLB:16:17:20.27:3.1,THB:4:3:20.27:17.8.7,2:1:20.27:17.8.7,21:20:3.1:17.8.7,9:8:20.27:3.1|
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
BDBM50143273 [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=O)C(N)=O
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
BDBM50033642 COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:26.31,c:22,TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
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,)|
BDBM50143268 [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
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|
BDBM50010544 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50010545 CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC
BDBM50010546 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
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,)|
BDBM50010536 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50010537 CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50010538 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(N)=O
BDBM50045182 CC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50045183 Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C=O)cc1Cl
BDBM50045184 CCOC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50045185 Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)Oc2ccccc2)cc1Cl
BDBM50045186 COC(=O)\C=C1\CCN(CC2CN(CCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)OC)C1
BDBM50045187 CCCC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50045188 COC(=O)\C=C1/CCN(CC2CN(CCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)OC)C1
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
BDBM50093967 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(N)c1
BDBM50093968 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1[N+]([O-])=O
BDBM50093969 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)[N+]([O-])=O
BDBM50093970 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1N(S(C)(=O)=O)S(C)(=O)=O
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
BDBM50169772 COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
BDBM50169773 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)C2C1=O)c1ccoc1
BDBM50169774 CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50169775 COC(=O)[C@@H]1C[C@H](O)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50169776 COC(=O)C1=CC(=O)C=C2[C@@]3(C)C[C@H](OC(=O)[C@@H]3CC[C@@]12C)c1ccoc1 |t:4,8|
BDBM50169777 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50169780 COC(=O)[C@@H]1C[C@H](OC(=O)C2CC2)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50273415 CN1C[C@@H]2Oc3ccc(O)cc3[C@@]22CCC[C@@H]1C2 |r|
BDBM50188197 CNC[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C
BDBM50255956 CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
BDBM50017494 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2ccsc12
BDBM50171170 COCOC(=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
BDBM50171171 CCCCCCCCOC(=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
BDBM50171172 CC(=O)O[C@H]1C[C@@H](C(=O)NCC(=O)OCc2ccccc2)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171173 CC(=O)O[C@H]1C[C@@H](C(=O)NN2CCOCC2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171174 CC(=O)O[C@H]1C[C@@H](C(=O)OCCCC#C)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171175 CC(=O)O[C@H]1C[C@@H](C(=O)NCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
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|
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|
BDBM50266445 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)OC(C)C |r|
BDBM50171176 CC(=O)O[C@H]1C[C@@H](C(=O)NCCO)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171177 CC(=O)O[C@H]1C[C@@H](C(=O)NC2CC2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171178 CC(=O)O[C@H]1C[C@@H](C(=O)NC(Cc2cnc[nH]2)C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171179 CC(=O)O[C@H]1C[C@@H](C(O)=O)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171180 CCOC(=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
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+]
BDBM50271916 COc1ccc(C[C@H]2CN3[C@H](C[NH+]=C3N2CC2CCC(C)CC2)C2CCCCC2)cc1 |r,wD:10.25,7.6,c:12,(.94,-35.88,;1.67,-37.25,;.87,-38.56,;1.6,-39.93,;.79,-41.23,;-.75,-41.18,;-1.56,-42.49,;-3.1,-42.46,;-3.97,-41.19,;-5.45,-41.62,;-6.91,-41.11,;-7.84,-42.33,;-6.98,-43.6,;-5.49,-43.17,;-4.04,-43.69,;-3.6,-45.16,;-2.1,-45.52,;-1.66,-46.99,;-.17,-47.35,;.89,-46.24,;2.39,-46.6,;.46,-44.76,;-1.04,-44.39,;-7.34,-39.63,;-6.28,-38.52,;-6.72,-37.05,;-8.21,-36.68,;-9.28,-37.8,;-8.84,-39.28,;-1.49,-39.83,;-.68,-38.52,)|
BDBM50271917 COc1ccc(C[C@@H]2CN3[C@@H](C[NH+]=C3N2C(C)C23CC4CC(CC(C4)C2)C3)C2CCCCC2)cc1 |r,c:12,TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
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+]
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,)|
BDBM50153138 O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
BDBM50153139 O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
BDBM50252874 COC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
BDBM50185788 CN(C)C[C@@H](O)Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2ccc(F)cc12
BDBM50194405 C\C=C\C(=O)OC[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
BDBM50194406 COCCOCC(=O)OC[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
BDBM50194407 COCCOCC(=O)OC[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
BDBM50194408 CC(=O)O[C@H]1C[C@@H](COC(=O)c2ccc(C)cc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50194409 CC(=O)O[C@H]1C[C@@H](COC(=O)CC#C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
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
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|
BDBM50155490 Clc1ccc(cc1)[C@H]1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:10|
BDBM50155491 O=C1C(CC=CCN1C(CN1CCCC1)c1ccccc1)c1cccc(c1)S(=O)(=O)N1CCCC1 |c:4|
BDBM50155492 COc1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11|
BDBM50155493 Clc1ccc(cc1Cl)[C@H]1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11|
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|
BDBM50218792 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
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
BDBM206331 CO[C@]12C=C[C@@]3(C[C@]1(C)[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,wU:27.40,26.27,2.1,7.9,9.10,wD:5.5,17.34,7.8,c:3,TLB:9:7:27.26:4.3,8:7:27.26:4.3,(-2.59,-4.56,;-1.25,-3.81,;-1.24,-2.28,;-1.49,-1.01,;-.9,.2,;-.91,1.55,;-2.33,.54,;-2.59,-1.13,;-4.1,-.93,;-3.61,-2.27,;-3.13,-3.72,;-5.1,-1.95,;-6.13,-3.09,;-7.62,-2.78,;-8.1,-1.32,;-7.08,-.18,;-5.58,-.5,;.77,2.37,;2.38,2.46,;3.18,1.1,;4.71,.7,;5.08,-.8,;3.98,-1.88,;4.32,-3.38,;2.49,-1.38,;1.22,-2.28,;.1,-1.17,;.36,.57,;-.21,2.25,;-.59,3.79,;.93,3.98,;2,5.08,;1.58,6.55,;.49,7.62,;1.96,8.03,;1.92,.13,)|
BDBM50271455 CC(C)C[C@@H]1CN2[C@@H](C)C[NH+]=C2N1CCC1CC2CCC1C2 |r,c:10,THB:14:15:21:19.18|
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
BDBM50244065 COc1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12
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
BDBM50125442 COc1ccccc1-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
BDBM50125453 O=c1c(nccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
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
BDBM50125458 O=c1c(Nc2ccccc2)cccn1C(CN1CCCC1)c1ccccc1
BDBM50125459 Clc1ccc(c(Cl)c1)-c1cncn(C(CN2CCCC2)c2ccccc2)c1=O
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|
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
BDBM50161316 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)c1ccc2[n+]([O-])onc2c1
BDBM50161317 CN([C@H](CN1CC[C@@H](O)C1)c1ccccc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
BDBM50161318 CN(CC(=O)N(C)[C@H](CN1CC[C@@H](O)C1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50161319 COC(=O)N[C@H](C(=O)N(C)[C@H](CN1CCCC1)c1ccccc1)c1ccccc1
BDBM50161320 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
BDBM50161321 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)C(NC=O)c1ccccc1
BDBM50161322 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
BDBM50161323 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
BDBM50161324 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
BDBM50161325 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
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
BDBM50189129 CCC(=O)N[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
BDBM50189130 COC(=O)[C@@H]1C[C@H](N(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50189131 CNC(=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
BDBM50189132 COC(=O)[C@@H]1C[C@@H](N(C)C(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50189133 CCC(=O)N[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
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
BDBM50127162 CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCCCc1ccccc1)ccc5O |TLB:9:10:14:3.5.4,29:11:14:3.5.4|
BDBM50127163 Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:16:17:22:7.12.11,3:4:22:7.12.11|
BDBM50127165 CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17|
BDBM50127166 Oc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:21:22:27:7.17.16,3:4:27:7.17.16|
BDBM50127167 Oc1ccc2CC3N(CC4CCCO4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:3:4:25:7.15.14,19:20:25:7.15.14|
BDBM50127168 COc1ccc2CC3N(CC4CCCO4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:4:5:26:8.16.15,20:21:26:8.16.15|
BDBM50127169 COc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:22:23:28:8.18.17,4:5:28:8.18.17|
BDBM50127170 Oc1ccc2CC3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:3:4:24:7.14.13,18:19:24:7.14.13|
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|
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
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
BDBM50205677 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1cccnc1
BDBM50205678 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CCC(=O)Nc1nccs1
BDBM50205679 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)NCc1ccccc1
BDBM50205680 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CCC(=O)Nc1cccnc1
BDBM50205681 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1ccc(CNS(C)(=O)=O)cc1
BDBM50205682 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CCC(=O)Nc1ccccc1
BDBM50271503 C(CC1CCCCC1)CN1[C@H](CN2[C@H](C[NH+]=C12)C1CCCCC1)C1CCCCC1 |r,t:16|
BDBM50271501 COc1ccc(C[C@H]2CN3[C@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1 |r,c:12|
BDBM50271502 C[C@H]1C[NH+]=C2N(CCC3CC4CCC3C4)[C@H](CN12)C1CCCCC1 |r,t:3,THB:7:8:14:12.11|
BDBM50204769 Fc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |w:6.12|
BDBM50205683 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)NCC(=O)Nc1ccccc1
BDBM50205684 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1ccccc1
BDBM50205685 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1ccc(NS(C)(=O)=O)cc1
BDBM50205686 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1nccs1
BDBM50039966 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1
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|
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|
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
BDBM50243969 CN(CC(=O)N(C)C(CN1CCOCC1)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1
BDBM50243970 CN(C(CN1CCOCC1)c1ccc(cc1)-c1ccccc1)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12
BDBM50049801 CN1C(CCNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
BDBM50049802 CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17|
BDBM50049803 CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15|
BDBM50049804 CN1C(CCNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:20|
BDBM50049805 CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
BDBM50049808 CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
BDBM50199893 C[C@H]1[C@@H]2CCCCN2CC[C@@]1(C)c1cccc(O)c1 |r|
BDBM50271310 COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CC2CCC(C)CC2)cc1 |r,wD:10.10,7.6,c:13,(2.37,2.47,;.83,2.51,;.03,1.19,;.77,-.16,;-.03,-1.47,;-1.57,-1.43,;-2.37,-2.74,;-3.91,-2.7,;-4.79,-1.43,;-6.26,-1.87,;-7.72,-1.34,;-8.16,.12,;-8.66,-2.58,;-7.79,-3.85,;-6.31,-3.42,;-4.85,-3.93,;-4.41,-5.41,;-5.47,-6.52,;-6.97,-6.17,;-8.02,-7.28,;-7.59,-8.76,;-8.65,-9.87,;-6.09,-9.12,;-5.03,-8,;-2.31,-.09,;-1.51,1.23,)|
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
BDBM50243971 CN([C@@H](CN1CCOCC1)c1ccc(cc1)-c1ccccc1)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12 |r|
BDBM50194389 CC(NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)OC[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
BDBM50194390 CC(=O)O[C@H]1C[C@@H](COCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50194391 CC(=O)O[C@H]1C[C@@H](COC(=O)C2CC2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50194392 CC(=O)O[C@H]1C[C@@H](c2nnnn2CCC#N)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50194403 CC(=O)O[C@H]1C[C@@H](COC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc23)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50194404 CC(=O)O[C@H]1C[C@@H](COC(=O)Cc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
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
BDBM50210407 CC(C)CCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:5.4|
BDBM50210408 COCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:3.2|
BDBM50108453 Clc1ccc(cc1Cl)-c1ccc(=O)n(c1)C(CN1CCCC1)c1ccccc1
BDBM50002310 CCCN(CCc1ccccc1)CCc1cccc(O)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|
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
BDBM50125462 O=c1c(ccnn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
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
BDBM50019487 CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:103.111,4.4,26.40,89.95,64.68,8.8,wD:75.79,53.57,107.114,40.44,(34.18,-21.17,;33.84,-19.67,;32.37,-19.21,;34.97,-18.62,;34.63,-17.12,;35.76,-16.08,;37.23,-16.53,;37.57,-18.04,;38.36,-15.49,;38.02,-13.99,;36.55,-13.53,;35.32,-14.45,;34.06,-13.56,;34.52,-12.09,;33.73,-10.77,;34.49,-9.42,;36.03,-9.4,;36.81,-10.73,;36.06,-12.07,;39.83,-15.95,;40.97,-14.9,;40.63,-13.4,;42.44,-15.36,;43.57,-14.31,;45.04,-14.77,;45.38,-16.27,;46.17,-13.73,;45.83,-12.22,;44.36,-11.77,;43.12,-12.69,;41.87,-11.8,;42.32,-10.33,;41.54,-9,;42.29,-7.66,;43.83,-7.64,;44.62,-8.96,;43.86,-10.31,;47.64,-14.18,;48.77,-13.14,;48.43,-11.64,;50.24,-13.59,;50.58,-15.1,;51.37,-12.55,;52.84,-13.01,;53.97,-11.96,;55.44,-12.42,;55.78,-13.92,;57.25,-14.38,;54.65,-14.97,;53.18,-14.51,;33.16,-16.66,;32.82,-15.16,;32.03,-17.71,;30.56,-17.25,;30.22,-15.75,;31.35,-14.7,;31.01,-13.2,;32.14,-12.16,;31.8,-10.66,;32.93,-9.61,;30.33,-10.2,;29.43,-18.3,;29.77,-19.8,;27.96,-17.84,;26.83,-18.88,;27.16,-20.39,;26.03,-21.43,;26.37,-22.93,;25.24,-23.98,;25.58,-25.48,;24.45,-26.53,;27.05,-25.94,;25.35,-18.43,;25.02,-16.93,;24.22,-19.47,;22.75,-19.02,;21.62,-20.06,;20.15,-19.6,;19.66,-18.14,;18.12,-18.16,;17.66,-19.63,;16.26,-20.28,;16.12,-21.81,;17.38,-22.7,;18.78,-22.06,;18.92,-20.52,;22.41,-17.51,;20.94,-17.06,;23.54,-16.47,;23.21,-14.97,;21.73,-14.51,;21.4,-13.01,;19.92,-12.55,;19.59,-11.05,;18.11,-10.59,;17.78,-9.09,;16.98,-11.64,;24.34,-13.92,;24,-12.42,;25.81,-14.38,;26.3,-15.84,;27.84,-15.82,;28.3,-14.35,;27.04,-13.46,;27.02,-11.92,;25.68,-11.16,;28.35,-11.13,;28.33,-9.59,;29.65,-8.8,;29.63,-7.26,;30.95,-6.48,;30.93,-4.94,;32.26,-4.15,;26.98,-8.84,;25.66,-9.62,;26.96,-7.3,)|
BDBM50127358 O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1
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
BDBM50248855 CC(=O)O[C@]12CC[C@@H](NC(=O)\C=C\c3ccccc3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
BDBM50248856 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)c1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
BDBM50248857 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
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
BDBM50120057 CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
BDBM50120058 CO[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
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|
BDBM50266917 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)c1cn(C)nn1 |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|
BDBM50093971 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1N
BDBM50093972 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)[N+]([O-])=O
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|
BDBM50153143 CC(C)CCC(C)N1CCC(CC1)N1c2ccccc2NS1(=O)=O
BDBM50153144 O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1
BDBM50153145 O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1Cc2ccccc2C1
BDBM50153146 O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
BDBM50153147 O=S1(=O)Nc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
BDBM50153148 O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1
BDBM50153149 CCCC1CCC(CC1)N1CCC(CC1)N1c2ccccc2NS1(=O)=O |(9.58,-2.84,;8.2,-2.19,;6.93,-3.08,;5.55,-2.4,;4.26,-3.31,;2.86,-2.63,;2.74,-1.08,;4,-.17,;5.42,-.86,;1.32,-.4,;.05,-1.29,;-1.34,-.61,;-1.46,.92,;-.19,1.79,;1.21,1.13,;-2.84,1.57,;-4.13,.77,;-4.39,-.74,;-5.83,-1.26,;-7.01,-.26,;-6.74,1.23,;-5.3,1.76,;-4.73,3.18,;-3.18,3.06,;-1.69,3.34,;-3.48,4.55,)|
BDBM50272373 Clc1ccc2scc(CC(=O)N3CCN(CC3CN3CCCC3)c3ccccc3)c2c1
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|
BDBM50000260 OC1CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1
BDBM50000261 OC[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50204790 Clc1ccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c2c1 |w:8.8|
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|
BDBM50007344 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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|
BDBM50271453 CC(C)C[C@@H]1CN2[C@@H](C[NH+]=C2N1CCCC1CCCCC1)C1CCCCC1 |r,c:9|
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|
BDBM50033651 CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C=CC4=O)ccc5O |w:17.20,c:31,TLB:13:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2|
BDBM50033654 COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
BDBM50033655 C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)CCc1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13|
BDBM50033656 C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)C=CC2=O)ccc3O |c:36,THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
BDBM50033657 COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:29.35,c:26,TLB:25:24:19.5.6:8.14.13,THB:9:8:24:19.5.6,18:19:24:8.14.13|
BDBM50138010 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc31
BDBM50008984 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50000570 CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6|
BDBM50000571 C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
BDBM50000572 CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6|
BDBM50000287 Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl
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|
BDBM50272372 O=C(Cc1cccc2ccccc12)N1CCN(CC1CN1CCCC1)c1ccccc1
BDBM50272411 O=C(Cn1c2ccccc2oc1=O)N1CCN(CC1CN1CCCC1)c1ccccc1
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|
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
BDBM50033652 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3OC |r,THB:10:9:5.4.6:17|
BDBM50033653 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:28.34,c:25,TLB:24:23:18.4.5:7.13.12,THB:8:7:23:18.4.5,17:18:23:7.13.12|
BDBM50037134 Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
BDBM50033643 COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:23:22:13.5.6:8.11.10,THB:9:8:22:13.5.6,14:13:22:8.11.10|
BDBM50033644 COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:26:25:16.5.6:8.14.13,THB:9:8:25:16.5.6,17:16:25:8.14.13|
BDBM50033645 CN1CCC23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2|
BDBM50033646 COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |c:23,TLB:23:22:13.5.6:8.11.10,THB:9:8:22:13.5.6,14:13:22:8.11.10|
BDBM50033647 C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13|
BDBM50033648 CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |c:13,TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2|
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|
BDBM50033650 COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |c:27,TLB:26:25:16.5.6:8.14.13,THB:9:8:25:16.5.6,17:16:25:8.14.13|
BDBM50138014 Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
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|
BDBM50026752 CCOC(=O)C1(CCN(C)CC1)c1ccccc1
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
BDBM50083926 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:16:15:1:4.10.3|
BDBM50019480 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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,76.79,51.52,94.98,wD:90.95,62.63,40.41,8.16,27.28,(-1.12,-19.2,;-1.46,-17.7,;-2.93,-17.24,;-.32,-16.66,;-.66,-15.15,;.47,-14.11,;1.94,-14.57,;2.28,-16.07,;3.07,-13.52,;2.73,-12.02,;1.26,-11.56,;.92,-10.06,;-.55,-9.6,;-1.68,-10.65,;-1.34,-12.15,;.13,-12.61,;4.54,-13.98,;5.67,-12.93,;5.33,-11.43,;7.14,-13.39,;8.27,-12.35,;9.74,-12.8,;10.08,-14.3,;10.87,-11.76,;12.34,-12.21,;13.48,-11.17,;13.14,-9.67,;14.95,-11.63,;15.29,-13.13,;16.08,-10.58,;17.55,-11.04,;18.68,-9.99,;20.15,-10.45,;20.49,-11.95,;21.96,-12.41,;19.36,-13,;17.89,-12.54,;-2.13,-14.7,;-2.47,-13.19,;-3.27,-15.74,;-4.74,-15.28,;-5.08,-13.78,;-3.94,-12.74,;-4.28,-11.23,;-3.15,-10.19,;-3.49,-8.69,;-2.36,-7.64,;-4.96,-8.23,;-5.87,-16.33,;-5.53,-17.83,;-7.34,-15.87,;-8.47,-16.92,;-8.13,-18.42,;-9.26,-19.46,;-8.92,-20.97,;-10.05,-22.01,;-9.71,-23.51,;-10.84,-24.56,;-8.24,-23.97,;-9.94,-16.46,;-10.28,-14.96,;-11.07,-17.5,;-12.54,-17.05,;-13.67,-18.09,;-15.14,-17.64,;-15.64,-16.18,;-17.18,-16.2,;-17.64,-17.67,;-19.03,-18.31,;-19.18,-19.84,;-17.92,-20.73,;-16.52,-20.09,;-16.38,-18.56,;-12.88,-15.55,;-14.35,-15.09,;-11.75,-14.5,;-12.09,-13,;-13.56,-12.54,;-13.9,-11.04,;-15.37,-10.58,;-15.71,-9.08,;-17.18,-8.62,;-17.52,-7.12,;-18.31,-9.67,;-10.96,-11.95,;-9.49,-12.41,;-11.3,-10.45,;-12.71,-9.84,;-12.57,-8.31,;-11.07,-7.97,;-10.28,-9.29,;-8.75,-9.43,;-8.1,-10.83,;-7.86,-8.18,;-6.33,-8.32,;-5.44,-7.06,;-3.9,-7.2,;-3.01,-5.95,;-1.48,-6.09,;-.59,-4.83,;-5.68,-9.72,;-6.57,-10.98,;-4.15,-9.86,)|
BDBM50083636 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1C)c1ccccc1
BDBM50083637 CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1ccccc1
BDBM50049807 CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
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|
BDBM50143266 [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
BDBM50033532 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
BDBM50194399 CC(=O)O[C@H]1C[C@@H](COCC=C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50194400 COC[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
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
BDBM50010547 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50010548 CCCCCCNC(=O)[C@H](CC(C)C)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](Cc1ccc(O)cc1)NC
BDBM50010549 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
BDBM50194401 CC(=O)O[C@H]1C[C@@H](C=O)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50194402 CC(=O)OC[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
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,)|
BDBM50000780 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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,)|
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|
BDBM50010543 CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=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|
BDBM50143267 [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
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,)|
BDBM50153133 O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCc2ccccc2C1
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
BDBM50153136 O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
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
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
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
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|
BDBM50175929 O=C1NCN(c2ccccc2)C11CCN(Cc2ccccc2)CC1
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|
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|
BDBM50019483 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(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:4.4,79.83,54.56,8.8,97.102,wD:93.99,65.67,43.45,30.32,(24.46,-20.68,;24.12,-19.17,;22.65,-18.72,;25.25,-18.13,;24.92,-16.63,;26.05,-15.58,;27.52,-16.04,;27.86,-17.54,;28.65,-14.99,;28.31,-13.49,;26.84,-13.03,;25.6,-13.95,;24.35,-13.07,;24.8,-11.59,;24.02,-10.27,;24.77,-8.93,;26.31,-8.91,;27.1,-10.23,;26.34,-11.58,;30.12,-15.45,;31.25,-14.41,;30.91,-12.9,;32.72,-14.86,;33.85,-13.82,;35.32,-14.27,;35.66,-15.78,;36.45,-13.23,;37.92,-13.69,;39.06,-12.64,;38.72,-11.14,;40.53,-13.1,;40.87,-14.6,;41.66,-12.05,;43.13,-12.51,;44.26,-11.47,;45.73,-11.92,;46.07,-13.43,;47.54,-13.88,;44.94,-14.47,;43.47,-14.01,;23.44,-16.17,;23.11,-14.67,;22.31,-17.21,;20.84,-16.76,;20.5,-15.25,;21.64,-14.21,;21.3,-12.71,;22.43,-11.66,;22.09,-10.16,;23.22,-9.12,;20.62,-9.7,;19.71,-17.8,;20.05,-19.3,;18.24,-17.34,;17.11,-18.39,;17.45,-19.89,;16.32,-20.94,;16.66,-22.44,;15.53,-23.48,;15.87,-24.99,;14.73,-26.03,;17.34,-25.44,;15.64,-17.93,;15.3,-16.43,;14.51,-18.98,;13.04,-18.52,;11.91,-19.56,;10.44,-19.11,;9.94,-17.65,;8.4,-17.67,;7.94,-19.14,;6.55,-19.78,;6.4,-21.32,;7.66,-22.21,;9.06,-21.56,;9.2,-20.03,;12.7,-17.02,;11.23,-16.56,;13.83,-15.97,;13.49,-14.47,;12.02,-14.01,;11.68,-12.51,;10.21,-12.05,;9.87,-10.55,;8.4,-10.09,;8.06,-8.59,;7.27,-11.14,;14.62,-13.43,;16.09,-13.88,;14.28,-11.92,;12.87,-11.31,;13.01,-9.78,;14.51,-9.44,;15.3,-10.77,;16.83,-10.91,;17.48,-12.31,;17.72,-9.65,;19.25,-9.79,;20.14,-8.53,;21.68,-8.68,;22.57,-7.42,;24.1,-7.56,;24.99,-6.3,;19.9,-11.19,;19.01,-12.45,;21.43,-11.33,)|
BDBM50019484 [#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]-[#7]-[#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
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|
BDBM50093958 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1N
BDBM50001107 Oc1cccc2C(CN3CCCC3)N(CCc12)C(=O)Cc1ccc(Cl)c(Cl)c1
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
BDBM50166625 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CNC(C)=O)c1
BDBM50166626 CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1
BDBM50272034 CC(C)CC1C[N+]2=C(NCC2C2CCCCC2)N1CC1CCC(C)CC1 |t:6,(-.57,1.19,;.17,-.16,;1.71,-.2,;-.63,-1.47,;-2.17,-1.44,;-3.05,-.17,;-4.52,-.6,;-4.57,-2.15,;-6.05,-2.59,;-6.92,-1.32,;-5.98,-.08,;-6.42,1.39,;-5.36,2.5,;-5.79,3.98,;-7.29,4.34,;-8.36,3.22,;-7.92,1.74,;-3.11,-2.66,;-2.67,-4.14,;-3.73,-5.26,;-5.23,-4.9,;-6.28,-6.01,;-5.85,-7.49,;-6.91,-8.61,;-4.35,-7.85,;-3.29,-6.74,)|
BDBM50272035 COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CC2CCC(C)CC2)cc1 |t:9,(20.14,3.61,;18.6,3.65,;17.79,2.33,;18.53,.98,;17.73,-.34,;16.19,-.29,;15.39,-1.6,;13.85,-1.57,;12.97,-.3,;11.5,-.73,;11.45,-2.28,;9.98,-2.71,;9.1,-1.45,;10.04,-.21,;9.61,1.26,;10.66,2.37,;10.23,3.85,;8.73,4.21,;7.67,3.09,;8.1,1.61,;12.91,-2.79,;13.35,-4.27,;12.29,-5.39,;10.8,-5.03,;9.74,-6.14,;10.17,-7.62,;9.11,-8.74,;11.67,-7.98,;12.74,-6.87,;15.45,1.05,;16.25,2.36,)|
BDBM50272036 CC(C)CC1C[N+]2=C(NCC2C2CCCCC2)N1CCC1CC2CCC1C2 |t:6,THB:19:20:26:24.23|
BDBM50092513 CCOC(=O)C12CN(C)CC(C(N(C)C1c1ccc(Cl)cc1)c1ccc(Cl)cc1)(C(=O)OCC)C2=O |TLB:13:12:34:7.9.6,15:14:34:7.9.6,22:11:34:7.9.6|
BDBM50092514 COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(C)c1)c1cccc(C)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8|
BDBM50092515 COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(O)c1)c1cccc(O)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8|
BDBM50160839 CN([C@H](CN1CCCC1)c1cccc(NC(=O)CCC(O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50160840 CN([C@H](CN1CCCC1)c1cccc(NS(C)(=O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50160841 CN([C@H](CN1CCCC1)c1cccc(c1)N(CC(O)=O)CC(O)=O)C(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50160842 CN([C@H](CN1CCCC1)c1cccc(NS(N)(=O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
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|
BDBM50169778 COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(F)c2)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50169779 COC(=O)[C@@H]1C[C@H](OC(=O)C(F)(F)F)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
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|
BDBM50272252 CN(CC(=O)N1CCN(CC1CN1CCCC1)c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1
BDBM50272253 CN(CC(=O)N1CCN(CC1CN1CCCC1)C(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1
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
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|
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
BDBM50213374 CC(c1ccccc1)n1ccnc1C1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |w:1.0|
BDBM50213375 CCOC(=O)N1CCC(CC1)(c1nccn1-c1ccc2ccccc2c1C)c1ccccc1
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
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
BDBM50288954 OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5|
BDBM50092516 COC(=O)C12CN(C)CC(C(N(C)C1c1ccccn1)c1ccccn1)(C(=O)OC)C2=O |TLB:12:11:30:6.5.8,20:10:30:6.5.8,14:13:30:6.5.8|
BDBM50092517 CN1CC2(C(N(C)C(c3ccccc3)C(C1)(C(O)=O)C2=O)c1ccccc1)C(O)=O |TLB:6:5:19:1.15.2,21:4:19:1.15.2,8:7:19:1.15.2|
BDBM50092518 COC(=O)C12CN(C)CC(C(N(C)C1c1ccc(OC)cc1)c1ccc(OC)cc1)(C(=O)OC)C2=O |TLB:12:11:34:6.5.8,22:10:34:6.5.8,14:13:34:6.5.8|
BDBM50092519 COC(=O)C12CN(C)CC(C(N(C)C1c1ccc3ccccc3n1)c1ccc3ccccc3n1)(C(=O)OC)C2=O |TLB:12:11:38:6.8.5,14:13:38:6.8.5,24:10:38:6.8.5|
BDBM50092521 COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(F)c1)c1cccc(F)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8|
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|
BDBM50160160 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
BDBM50297312 CCNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12|
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
BDBM50213397 CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(F)c1)c1ccccc1
BDBM50252953 CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccc(O)cc12 |t:14|
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|
BDBM50297314 CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
BDBM50131966 COc1cccc2N(C)C(CCNC(=O)c3cccs3)CN=C(c3ccccc3)c12 |t:22|
BDBM50131967 O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1 |t:7|
BDBM50131968 CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15|
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|
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|
BDBM50166627 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CN
BDBM50166628 CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1
BDBM50166629 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNC(C)=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
BDBM50166632 CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1
BDBM50166633 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNC(C)=O
BDBM50166634 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(CN)c1
BDBM50166635 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CN)cc1
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
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
BDBM50166729 CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
BDBM50166730 CNC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
BDBM50166731 COC(=O)[C@@H]1C[C@H](OC(=O)CNC(C)=O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
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|
BDBM50155495 FC(F)(F)c1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:13|
BDBM50155496 Clc1ccc(cc1Cl)[C@@H]1CC=CCN([C@H](CN2CCCC2)c2ccccc2)C1=O |c:11|
BDBM50155497 Clc1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:10|
BDBM50155498 O[C@H]1CCN(C[C@@H](N2CC=CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2)C1 |c:9|
BDBM50155499 COc1ccc(cc1)[C@H]1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11|
BDBM50155500 Clc1ccc(OC2CC=CCN(C(CN3CCCC3)c3ccccc3)C2=O)cc1Cl |c:8|
BDBM50159163 COC(=O)[C@@H]1C[C@@H](C[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1)OC(C)=O
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|
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|
BDBM50271456 C[C@H]1C[NH+]=C2N(CCCC3CCCCC3)[C@H](CN12)C1CCCCC1 |r,t:3|
BDBM50271457 COc1ccc(C[C@H]2CN3[C@@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1 |r,c:12|
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
BDBM50244017 CN([C@H](CN1CCOCC1)c1ccc(cc1)-c1ccccc1)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12 |r|
BDBM50244018 CNC(=O)c1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)Cn1c2cc(C)c(C)cc2ncc1=O
BDBM50244019 COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(Cl)c(Cl)c1
BDBM50244020 CN(C(CN1CCCC1)c1ccc(cc1)-c1cccc(c1)C(N)=O)C(=O)CN(CC#N)c1ccc(Cl)c(Cl)c1
BDBM50244021 CNC(=O)c1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)Cn1c2cc(Cl)c(Cl)cc2ncc1=O
BDBM50244022 CN(C(CN1CCOCC1)c1ccc(cc1)-c1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)COc2cc(C)c(C)cc12
BDBM50226261 NC(=O)c1ccc(Oc2ccc3CN(CCc4ccccc4)CCCc3c2)nc1
BDBM50213403 CCOC(=O)N1CCC(CC1)(c1nccn1C(C)c1ccccc1)c1ccccc1 |w:16.18|
BDBM50213404 O=C(N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1)c1ccccc1
BDBM50213406 CCOC(=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
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
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|
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|
BDBM50173268 CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(C)cc12
BDBM50173269 CCN(CC(O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12)Cc1ccc(C)cc1
BDBM50092520 COC(=O)C12CN(C)CC(C(N(C)C1c1ccc(F)cc1)c1ccc(F)cc1)(C(=O)OC)C2=O |TLB:12:11:32:6.8.5,14:13:32:6.8.5,21:10:32:6.8.5|
BDBM50173262 CCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(ccc12)C(C)C
BDBM50173265 OC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
BDBM50166724 CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
BDBM50166725 COC(=O)[C@@H]1C[C@H](OCc2ccccc2)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50166727 CCCCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
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
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
BDBM50166728 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50166732 COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50166733 COC(=O)[C@@H]1C[C@H](OCC=C)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50166734 CCNC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
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|
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
BDBM50266388 CCOC[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|
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|
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|
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
BDBM50125443 FC(F)(F)c1ccc(cc1)-c1cccn(C(Cn2ccnc2)c2ccccc2)c1=O
BDBM50125444 OC1CCN(CC(c2ccccc2)n2cccc(-c3ccccc3C=O)c2=O)C1
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,)|
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|
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|
BDBM50154036 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
BDBM50287045 Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CCC1)CC[C@@]235)ccc4O
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|
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
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
BDBM50166715 COC(=O)[C@@H]1C[C@H](OC(N)=O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50166716 CCN[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
BDBM50166717 CN[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
BDBM50166718 CCCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
BDBM50166719 COC(=O)[C@@H]1C[C@@H](N(C)C)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
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|
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
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|
BDBM50136603 C[C@H]1CN(Cc2ccc(cc2)C(C)(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O
BDBM50272255 COc1ccc(cc1OC)C(=O)N1CCN(C(CN2CCCC2)C1)C(=O)CN(C)c1ccc(Cl)c(Cl)c1
BDBM50049750 C(Oc1cccnc1)[C@@H]1CCN1 |r|
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|
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
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|
BDBM50266417 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)c1cnccn1 |r|
BDBM50266418 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)c1ccco1 |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|
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,)|
BDBM50166720 COC(=O)[C@@H]1C[C@H](O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50166721 CO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
BDBM50166722 COC(=O)[C@@H]1C[C@H](OC(=O)CN(C)C)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50166723 CCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
BDBM50265406 C=CCN1CCC(CC1)(C#N)c1ccccc1
BDBM50045772 C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1
BDBM50086357 CNC(c1ccccc1)C(C)(C)C(=O)NCCc1ccccc1
BDBM50086358 CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CC1
BDBM50086359 CNC(c1ccccc1)C(C)(C)C(=O)NCC1CCCCC1
BDBM50086360 CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CCCCC1
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,)|
BDBM50266960 CCn1cc(nn1)[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|
BDBM50266961 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)c1cn(Cc2ccccc2)nn1 |r|
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|
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|
BDBM50171160 CC(=O)O[C@H]1C[C@@H](C(=O)OCCC#C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50160835 CN(C(CN1CCCC1)c1cccc(OCC(O)=O)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50160836 COc1cccc(c1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50160838 CN([C@H](CN1CCCC1)c1cccc(c1)[N+]([O-])=O)C(=O)Cc1ccc(cc1)C(F)(F)F
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|
BDBM50272474 COc1cccc(c1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
BDBM50272531 OC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
BDBM50272532 OC(=O)c1ccc(cc1O)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
BDBM50137997 Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
BDBM50171150 COCOC(=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
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|
BDBM50216245 C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1
BDBM50000277 Clc1ccc(CC(=O)N2CCCCC2(CC=C)CN2CCCC2)cc1Cl
BDBM50000272 C[C@@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000273 Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=C)C2)cc1Cl
BDBM50000274 COC(=O)\C=C1\CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1
BDBM50000275 Clc1ccc(CC(=O)N2CCC(=O)CC2CN2CCCC2)cc1Cl
BDBM50000276 Clc1ccc(CC(=O)N2CCCCC2CN2CC\C(C2)=C/C#N)cc1Cl
BDBM50093964 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)C(F)(F)F
BDBM50093965 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50093966 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1[N+]([O-])=O
BDBM50244177 Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ccccc1
BDBM50000265 COC(=O)\C=C1/CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1
BDBM50000266 COC(=O)[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000267 CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000268 COC(=O)[C@@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000269 COC(=O)[C@H]1CC[C@@H](CN2CCCC2)N(C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000270 O[C@@H]1CCCN([C@@H]1CN1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000271 Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=O)C2)cc1Cl
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
BDBM50161314 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)CNC(=O)Cc1ccccc1
BDBM50161315 COc1ccccc1C(=O)NCC(=O)N(C)[C@H](CN1CC[C@@H](O)C1)c1ccccc1
BDBM50136584 C[C@H]1CN(Cc2cccn2S(=O)(=O)c2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
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
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
BDBM50189137 CCN([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)C(=O)CC
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|
BDBM50189139 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
BDBM50189140 COC(=O)[C@@H]1C[C@@H](N(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50189141 COC(=O)[C@@H]1C[C@@H](N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50189142 CCC(=O)N(C)[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
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|
BDBM50252830 C1CC2(CCN1)Oc1ccccc1C(=C2)c1ccccc1 |c:15|
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|
BDBM50252832 FC(F)(F)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11|
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
BDBM50182020 COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM50160833 CN(C(CN1CCCC1)c1cccc(OCC(=O)OC(C)(C)C)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50160834 CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50276363 COCCNC1C(CCc2ccccc12)c1ccsc1
BDBM50271958 COc1ccc(C[C@@H]2CN3[C@H](C[NH+]=C3N2CC2CCC(C)CC2)C2CCCCC2)cc1 |r,wU:7.6,wD:10.25,c:12,(39.97,1.29,;38.43,1.32,;37.63,.01,;38.36,-1.35,;37.56,-2.66,;36.02,-2.61,;35.22,-3.92,;33.68,-3.88,;32.81,-2.61,;31.33,-3.05,;29.87,-2.53,;28.93,-3.76,;29.8,-5.03,;31.29,-4.59,;32.74,-5.11,;33.18,-6.59,;32.12,-7.71,;30.63,-7.34,;29.57,-8.45,;30,-9.93,;28.94,-11.04,;31.5,-10.29,;32.57,-9.18,;29.43,-1.05,;30.49,.06,;30.06,1.53,;28.56,1.89,;27.5,.78,;27.93,-.71,;35.28,-1.27,;36.08,.04,)|
BDBM50271959 COc1ccc(C[C@@H]2CN3[C@@H](C)C[NH+]=C3N2CC2CCC(C)CC2)cc1 |r,wU:7.6,wD:10.10,c:13,(2.71,-16.19,;1.17,-16.16,;.37,-17.47,;1.1,-18.83,;.3,-20.14,;-1.24,-20.09,;-2.04,-21.4,;-3.58,-21.36,;-4.45,-20.09,;-5.93,-20.53,;-7.39,-20.01,;-7.83,-18.53,;-8.33,-21.24,;-7.46,-22.51,;-5.97,-22.07,;-4.52,-22.59,;-4.08,-24.07,;-5.14,-25.19,;-6.63,-24.82,;-7.69,-25.93,;-7.26,-27.41,;-8.32,-28.52,;-5.76,-27.77,;-4.69,-26.66,;-1.98,-18.75,;-1.18,-17.44,)|
BDBM50171151 CC(=O)O[C@H]1C[C@@H](C(O)=O)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171152 CCCCCOC(=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
BDBM50171153 CC(NC(=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)C(=O)OCc1ccccc1
BDBM50171154 CC(=O)O[C@H]1C[C@@H](C(=O)NCC(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171155 CCCOC(=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
BDBM50171157 CC(=O)O[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171158 CC(=O)O[C@H]1C[C@@H](C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171159 CC1CCN(CC1)NC(=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
BDBM50171165 CC(=O)O[C@H]1C[C@@H](C(=O)NC2CC2)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
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|
BDBM50248825 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1Cl |r|
BDBM50248826 COc1ccccc1\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
BDBM50248827 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
BDBM50248828 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCC=C)NC(=O)\C=C\c1ccccc1 |r|
BDBM50171161 CC(NC(=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)C(=O)OCc1ccccc1
BDBM50171162 CC(=O)O[C@H]1C[C@@H](C(=O)NCCC#N)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171163 CC(=O)O[C@H]1C[C@@H](C(=O)NCCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171164 CC(=O)O[C@H]1C[C@@H](C(=O)NC(CO)C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
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
BDBM50105111 Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O
BDBM50105112 COc1ccc(CN2CCN(CC2)C(=O)CCn2cc(C)c3ccccc23)cc1OCc1ccccc1
BDBM50105114 COc1ccc(SCCC(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1
BDBM50244809 C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
BDBM50271957 COc1ccc(C[C@@H]2CN3[C@@H](C[NH+]=C3N2CC2CCC(C)CC2)C2CCCCC2)cc1 |r,wU:7.6,10.25,c:12,(5.32,1,;3.78,1.03,;2.98,-.28,;3.71,-1.64,;2.91,-2.95,;1.37,-2.9,;.57,-4.21,;-.97,-4.17,;-1.84,-2.9,;-3.32,-3.34,;-4.78,-2.82,;-5.72,-4.05,;-4.85,-5.32,;-3.36,-4.88,;-1.91,-5.4,;-1.47,-6.88,;.03,-7.24,;.46,-8.72,;1.95,-9.08,;3.02,-7.97,;4.51,-8.33,;2.58,-6.49,;1.08,-6.12,;-5.22,-1.34,;-4.16,-.23,;-4.59,1.24,;-6.09,1.6,;-7.15,.49,;-6.72,-1,;.63,-1.56,;1.43,-.25,)|
BDBM50021325 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2|
BDBM50000278 Clc1ccc(CC(=O)N2CCCCC2CN2CCCCC2)cc1Cl
BDBM50000279 NC(=O)[C@H]1CC[C@@H](CN2CCCC2)N(C1)C(=O)Cc1ccc(Cl)c(Cl)c1
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|
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
BDBM50145073 Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1
BDBM50001709 O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
BDBM50124009 [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(N)cc32)CCCO1 |TLB:2:3:8:19.13.12,THB:18:19:8:3.5.4|
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|
BDBM50271992 COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CCCC2CCCCC2)cc1 |t:9|
BDBM50271994 COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CCC2CC3CCC2C3)cc1 |t:9,THB:22:23:29:27.26|
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|
BDBM50123997 C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
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|
BDBM50171166 CCOC(=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
BDBM50171167 CC(=O)O[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)OCc2ccccc2)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50171168 CCCCOC(=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
BDBM50171169 CC(=O)O[C@H]1C[C@@H](C(=O)OCC=C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
BDBM50312766 C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
BDBM50188183 CNC[C@H](Cc1ccc(O)cc1)N(C[C@H](Cc1ccc(O)cc1)N(C)C)Cc1ccccc1
BDBM50092176 C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
BDBM50049809 CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
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
BDBM50266990 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)c1cnn[nH]1 |r|
BDBM50266991 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)c1cnn[nH]1 |r|
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
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|
BDBM50266419 COC(=O)[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|
BDBM50266420 CCOC(=O)[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|
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|
BDBM50248795 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O |r|
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|
BDBM50272412 O=C(Cn1c2ccccc2oc1=O)N1CCN(CC1CN1CCCC1)S(=O)(=O)c1ccccc1
BDBM50272413 Clc1ccc2oc(=O)n(CC(=O)N3CCN(CC3CN3CCCC3)S(=O)(=O)c3ccccc3)c2c1
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
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
BDBM50086361 CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12
BDBM50086362 CNC(c1ccccc1)C(C)(C)C(=O)NCc1ccccc1
BDBM50086363 CN(CC1CC1)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
BDBM50086364 CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1ccccc1
BDBM50086365 CCCCN(C)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
BDBM50086366 CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCCc1ccccc1
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|
BDBM50176263 CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
BDBM50271540 C(CC1CCCCC1)CN1[C@H](CN2[C@@H](C[NH+]=C12)C1CCCCC1)C1CCCCC1 |r,t:16|
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,)|
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|
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|
BDBM50243887 O[C@H]1CN(C[C@H]2C[C@H](O)c3ncccc3C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
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|
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|
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
BDBM50280141 CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccccc1
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
BDBM50280142 CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1cccc(c1)[N+]([O-])=O
BDBM50280143 CSc1ccc(CC(=O)N2CCN(CC2CN2CC[C@H](O)C2)C(C)=O)cc1
BDBM50280144 COc1cccc(CC(=O)N2CCN(CC2CN2CC[C@H](O)C2)C(C)=O)c1
BDBM50280145 CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
BDBM50280146 COc1ccc(CC(=O)N2CCN(CC2CN2CC[C@H](O)C2)C(C)=O)cc1
BDBM50280147 CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
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|
BDBM50271708 CC1CCC(CN2[C@H](CN3[C@@H](C[NH+]=C23)C2CCCCC2)C2CCCCC2)CC1 |r,wU:10.15,wD:7.22,t:12,(10.65,-14.86,;11.71,-13.74,;11.28,-12.26,;12.34,-11.15,;13.83,-11.52,;14.89,-10.4,;14.46,-8.92,;15.39,-7.69,;14.52,-6.42,;13.05,-6.86,;11.59,-6.34,;10.65,-7.57,;11.52,-8.84,;13,-8.41,;11.15,-4.87,;12.21,-3.76,;11.77,-2.29,;10.28,-1.92,;9.21,-3.04,;9.65,-4.52,;16.93,-7.73,;17.67,-9.1,;19.2,-9.14,;20.01,-7.83,;19.28,-6.48,;17.73,-6.43,;14.28,-12.99,;13.21,-14.11,)|
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|
BDBM50272324 CN(CC(=O)N1CCN(CC1CN1CCCC1)S(=O)(=O)c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1
BDBM50272325 CN(CC(=O)N1CCN(CC1CN1CCCC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
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
BDBM50272254 CN(CC(=O)N1CCN(CC1CN1CCCC1)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)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|
BDBM50045191 Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)Cc2ccccc2)cc1Cl
BDBM50045192 COC(=O)N1CCN(C(CN2CCC=CC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 |c:13|
BDBM50045193 COC(=O)N1CCN(C(CN2CCC(=O)C2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50045194 COCC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50045195 Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)OCc2ccccc2)cc1Cl
BDBM50045196 COC(=O)N1CCN(C(CN2CCC(O)C2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50045197 Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)c2ccccc2)cc1Cl
BDBM50045198 COC(=O)N1CCN(C(CN(C)C)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50045199 CCCOC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50241425 CN(CC(=O)N1CCCCC1CN1CCCC1)c1ccc(Cl)c(Cl)c1
BDBM50321028 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(O)CC[C@@]35O[C@H]1C(=O)Nc1ccccc1 |r,THB:26:25:14.15:22.21|
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|
BDBM50321024 COC(=O)[C@@]12CN(C)C[C@]([C@H](N(C)[C@H]1c1ccccn1)c1ccccn1)(C(=O)OC)C2=O |r,THB:31:30:10.11.13:8.5.6|
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|
BDBM50199904 C[C@H]1[C@H]2CCCCN2CC[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|
BDBM50266336 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)c1ccoc1C=C |r|
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|
BDBM50276567 COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccccc1Br
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|
BDBM50316621 COC(=O)N1CCN([C@H](C1)[C@@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |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|
BDBM50271816 COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CCC2CC3CCC2C3)cc1 |r,c:13,THB:17:18:24:22.21|
BDBM50271817 C[C@H]1C[NH+]=C2N(CC3CCC(C)CC3)[C@H](CN12)C1CCCCC1 |r,wD:14.19,1.0,t:3,(26.73,-19.75,;27.16,-21.22,;26.23,-22.46,;27.08,-23.72,;28.57,-23.29,;30.02,-23.8,;30.46,-25.27,;29.4,-26.39,;27.91,-26.03,;26.85,-27.14,;27.29,-28.62,;26.23,-29.73,;28.79,-28.98,;29.86,-27.86,;30.96,-22.57,;30.09,-21.31,;28.62,-21.74,;32.5,-22.61,;33.23,-23.96,;34.76,-24,;35.57,-22.69,;34.84,-21.33,;33.29,-21.29,)|
BDBM50271818 COc1ccc(C[C@H]2CN3[C@@H](C[NH+]=C3N2CCC2CC3CCC2C3)C2CCCCC2)cc1 |r,c:12,THB:16:17:23:21.20|
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|
BDBM50254569 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1 |r,TLB:16:15:1:4.10.3|
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|
BDBM50310656 CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
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|
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|
BDBM50278336 C[N+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5C(N)=O |r|
BDBM50205442 COC(=O)[C@@H]1C[C@H](S)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50205443 COC(=O)[C@@H]1C[C@@H](SC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50205444 COC(=O)[C@@H]1C[C@@H](S)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
BDBM50276566 COCCN(C1C(CCc2cc(OC)c(OC)cc12)N(C)C)C(=O)Cc1ccc(Cl)cc1
BDBM50243919 CN(CC(=O)N(C)[C@@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
BDBM50243920 CN(CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
BDBM50243921 CN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1
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|
BDBM50287331 CN1CCC23[C@H]4Oc5c2c(CC1C3CC[C@H]4NC(=O)C(Cl)=C)ccc5O |THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50287332 Oc1ccc2CC3C4CC[C@@H](NC(=O)C(Cl)=C)[C@@H]5Oc1c2C45CCN3CC1CC1 |TLB:25:24:7:20.4.5,19:20:7:24.22.23|
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|
BDBM50255898 CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
BDBM50266358 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)=O |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|
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
BDBM50265405 CN1CCC(CC1)(C#N)c1ccccc1
BDBM50147743 O=C1Cc2ccccc2N1C1CCN(CC1)C1C2CCCC1CCC2 |THB:13:16:19.18.20:23.24.22|
BDBM50171156 CC(=O)O[C@H]1C[C@@H](C(=O)OCCCC#C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
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|
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
BDBM50131969 O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 |t:7|
BDBM50131970 Fc1ccccc1C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15|
BDBM50131971 CN(CCC1CN=C(c2ccccc2)c2ccccc2N1C)C(=O)c1cccs1 |t:6|
BDBM50131972 Fc1ccc(cc1)C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15|
BDBM50131973 CN1C(CCNC(=O)c2ccc(cc2)[N+]([O-])=O)CN=C(c2ccccc2)c2ccccc12 |t:19|
BDBM50248793 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
BDBM50248794 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1[N+]([O-])=O |r|
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|
BDBM50030143 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CCC4=O)NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c6c(C[C@H]1N(C)CC[C@@]236)ccc4O)ccc5O
BDBM50030144 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)CS)ccc5O |TLB:22:9:12:1.3.2,7:8:12:1.3.2|
BDBM50030145 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
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
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|
BDBM50266962 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)c1cn(COC(=O)C(C)(C)C)nn1 |r|
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
BDBM50272497 COc1ccc(c(Br)c1OC)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
BDBM50272499 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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|
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
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
BDBM50213390 CC(C)(C)OC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
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
BDBM50175726 O=C(Nc1ccccc1)N1CCC(CC1)(c1ncc[nH]1)c1ccccc1
BDBM50175727 CC(c1ccccc1)n1ccnc1C1(CCN(CC1)C(=O)Nc1ccccc1)c1ccccc1
BDBM50175729 Fc1ccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)cc1
BDBM50272445 Clc1ccc2oc(=O)n(CC(=O)N3CCN(CC3CN3CCCC3)S(=O)(=O)c3ccccc3Br)c2c1
BDBM50272446 FC(F)(F)c1ccc(Cl)c(c1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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|
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|
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
BDBM50287333 CN1CCC23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)C(Cl)=C)ccc5O |TLB:17:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
BDBM50287334 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C(Cl)=C |TLB:24:23:18.4.5:7.13.12,THB:8:7:23:18.4.5,17:18:23:7.13.12|
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|
BDBM50082341 CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@H]1C)c1ccccc1
BDBM50082342 CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@@H]1C)c1ccccc1
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|
BDBM50153142 O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
BDBM50204791 Cc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1C
BDBM50210394 OCc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
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
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|
BDBM50241424 CN(CC(=O)N1CCC[C@H]([C@H]1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
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|
BDBM50274257 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM48098 COc1ccc(cc1)N=Nc1ccc(O)c2ncccc12 |w:8.8|
BDBM48099 CCOc1cc(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)ccc1O
BDBM48100 Cc1[nH]c(N=Nc2ccccc2)nc1N=Nc1ccccc1 |w:5.5,14.15|
BDBM48101 COc1ccc(C)c(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O |(4.41,6.93,;4.41,5.39,;5.75,4.62,;7.08,5.39,;8.41,4.62,;8.41,3.08,;9.75,2.31,;7.08,2.31,;5.75,3.08,;7.08,.77,;8.41,,;9.87,.47,;10.77,-.77,;9.87,-2.01,;8.41,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-1.54,;4.41,-2.31,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;5.75,-4.62,;5.75,,;4.41,.77,)|
BDBM48102 COc1cc(\C=C2/SC(=S)N(NC(=O)c3ccc(O)c(OC)c3)C2=O)ccc1O
BDBM48103 Cc1ccc(cc1-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O)S(C)=O |(9.75,2.31,;8.41,3.08,;8.41,4.62,;7.08,5.39,;5.75,4.62,;5.75,3.08,;7.08,2.31,;7.08,.77,;8.41,,;9.87,.47,;10.77,-.77,;9.87,-2.01,;8.41,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-1.54,;4.41,-2.31,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;5.75,-4.62,;5.75,,;4.41,.77,;4.41,5.39,;4.41,6.93,;3.08,4.62,)|
BDBM48104 COC(=O)c1ccc(C)c(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O |(3.08,7.32,;4.41,6.55,;4.41,5.01,;3.08,4.24,;5.75,4.24,;7.08,5.01,;8.41,4.24,;8.41,2.7,;9.75,1.93,;7.08,1.93,;5.75,2.7,;7.08,.39,;8.41,-.39,;9.87,.08,;10.77,-1.16,;9.87,-2.39,;8.41,-1.93,;7.08,-2.7,;7.08,-4.24,;5.75,-1.93,;4.41,-2.7,;4.41,-4.24,;3.08,-5.01,;3.08,-6.55,;4.41,-7.32,;5.75,-6.55,;5.75,-5.01,;5.75,-.39,;4.41,.39,)|
BDBM48105 COc1cccc(c1)N=Nc1ccc2cccnc2c1O |w:8.8|
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|
BDBM50272196 COc1cccc(c1)N1CCN(C(CN2CCCC2)C1)C(=O)CN(C)c1ccc(Cl)c(Cl)c1
BDBM50272197 CN(CC(=O)N1CCN(CC1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
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|
BDBM50271500 CC(C)C[C@@H]1CN2[C@H](C[NH+]=C2N1CCCC1CCCCC1)C1CCCCC1 |r,c:9|
BDBM50272292 CN(CC(=O)N1CCN(CC1CN1CCCC1)C(=O)c1ccc(cc1)C#N)c1ccc(Cl)c(Cl)c1
BDBM50272293 CN(CC(=O)N1CCN(CC1CN1CCCC1)C(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1
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|
BDBM50272371 CN(CC(=O)N1CCN(CC1CN1CCCC1)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1
BDBM50272374 FC(F)(F)c1nc2ccccc2n1CC(=O)N1CCN(CC1CN1CCCC1)c1ccccc1
BDBM50325822 Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|
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|
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|
BDBM50304074 Cc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1
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
BDBM50290967 CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2occc12
BDBM50290968 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1c2ccccc2-c2ccccc12
BDBM50290969 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1C(=C1c1ccc(Cl)cc1)c1ccccc1 |c:18|
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|
BDBM50325859 NC(=O)c1cccc(c1)S(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:19:18:17.11.12:15.14|
BDBM50325860 NC(=O)c1cccc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
BDBM50325861 NC(=O)c1ccnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
BDBM50325862 NC(=O)c1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccn1 |r,TLB:15:14:13.7.8:11.10|
BDBM50325863 NC(=O)c1cncc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:17:16:15.9.10:13.12|
BDBM50325864 NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
BDBM50325865 NC(=O)c1cncc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
BDBM50325866 NC(=O)c1cc(F)cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:18:17:16.10.11:14.13|
BDBM50325867 Cc1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(c1)C(N)=O |r,TLB:13:12:11.5.6:9.8|
BDBM50325868 Cc1ccc(cc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O |r,TLB:16:15:14.8.9:12.11|
BDBM50325869 Cc1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cccc1C(N)=O |r,TLB:12:11:10.4.5:8.7|
BDBM50325870 NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 |r,TLB:16:15:14.8.9:12.11|
BDBM50325871 Cc1cc(ccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O |r,TLB:16:15:14.8.9:12.11|
BDBM50325872 NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1 |r,TLB:16:15:14.8.9:12.11|
BDBM50325873 NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)nc1 |r,TLB:16:15:14.8.9:12.11|
BDBM50325874 NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cn1 |r,TLB:16:15:14.8.9:12.11|
BDBM50325875 CNC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:18:17:16.10.11:14.13|
BDBM50325876 CN(C)C(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:19:18:17.11.12:15.14|
BDBM50325877 Oc1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:15:14:13.7.8:11.10|
BDBM50325878 NC(=O)c1ccccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:18:17:14.13:16.10.11|
BDBM50199934 C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199945 C[C@H]1CN2CCN(Cc3ccccc3C)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199946 C[C@H]1CN2CCN(Cc3cccs3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199947 C[C@H]1CN2CCN(Cc3cccc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199948 C[C@H]1CN2CCN(Cc3ccco3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199949 C[C@H]1CN2C[C@@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199952 COC(=O)c1cccc(CN2CCN3C[C@H](C)[C@@](C)(C[C@@H]3C2)c2cccc(O)c2)c1 |r|
BDBM50199953 C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)Cc1ccccc1 |r|
BDBM37678 O=S(=O)(Nc1cccc2ncccc12)c1cccs1
BDBM50302775 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(OC)c1
BDBM50302776 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cnc[nH]2)CC1)c1cccc(O)c1
BDBM50238624 COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(Br)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50272326 COc1cccc(c1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)CN(C)c1ccc(Cl)c(Cl)c1
BDBM50272327 CN(CC(=O)N1CCN(CC1CN1CCCC1)S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1
BDBM50272330 OCCCOc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24|
BDBM50272331 O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OCc3ccccc3)cc12 |r|
BDBM50272198 CN(CC(=O)N1CCN(CC1CN1CCCC1)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1
BDBM50204449 CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:21:20:9.25.10:12,26:25:12:20.18.19|
BDBM50204450 O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:25:24:13.30.14:16,31:30:16:24.22.23|
BDBM50204451 O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:25:24:13.29.14:16,30:29:16:24.22.23|
BDBM50204456 CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:20:19:8.24.9:11,25:24:11:19.17.18|
BDBM50204457 CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:21:20:9.22.10:12,23:22:12:20.18.19|
BDBM50204458 CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:20:19:8.21.9:11,22:21:11:19.17.18|
BDBM48079 Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCn2c1nc1ccccc21
BDBM48080 Oc1ccc2ccccc2c1N=Nc1ccccn1 |w:11.12|
BDBM48081 COc1cc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)ccc1O
BDBM48082 COc1ccccc1N=Nc1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |w:8.8|
BDBM48083 Cc1ccccc1N=Nc1ccc(O)c2ncccc12 |w:7.7|
BDBM48084 Cc1ccccc1NC(=O)c1ccc(Nc2c(cc([N+]([O-])=O)c3ccccc23)[N+]([O-])=O)cc1
BDBM48085 CN(C)\C=C\C=CC=c1c(=C)[nH]n(-c2ccccc2)c1=O |w:7.6,5.4|
BDBM48086 COc1cc2C(NCC3(CCCC3)c2cc1OC)c1cccc(c1)[N+]([O-])=O
BDBM48087 COc1cc(\C=C\c2sc3ccccc3[n+]2CCCS([O-])(=O)=O)ccc1O
BDBM48088 CC(=O)N1N=C(CC1c1cccc(c1)[N+]([O-])=O)c1cccs1 |c:4|
BDBM48089 Oc1ccc(\C=C2\SC(=S)N(C2=O)c2cccnc2)cc1
BDBM48090 COc1cc(\C=C2\SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O
BDBM48091 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/[#7]-c2cccnc2-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)-[#6](=O)-[#6]1
BDBM48092 COc1ccc(C)cc1N=Nc1ccc(O)c2ncccc12 |w:9.9|
BDBM48093 CC1CN(CC(C)O1)c1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
BDBM48094 CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O
BDBM48095 CC(=O)NS(=O)(=O)c1ccc(Nc2ccc([N+]([O-])=O)c3nonc23)cc1
BDBM48096 CN(C)c1ccc(C=CC=c2c(=C)[nH]n(-c3ccccc3)c2=O)cc1 |w:9.8|
BDBM48097 Oc1ccc(N=Nc2ccc3OCCOc3c2)c2ncccc12 |w:6.6|
BDBM50304174 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)cc1 |r|
BDBM50304175 Cc1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
BDBM50304176 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r|
BDBM46582 Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)cc1O |w:7.7|
BDBM50199896 C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50199897 C[C@H]1[C@H]2CC[C@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50199898 C[C@H]1[C@@H]2CC[C@@H](CN2CC[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r|
BDBM50199918 C[C@H]1CN2CCCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199919 C[C@H]1CN2CCN(Cc3ccc(Cl)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199920 C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199921 C[C@H]1CN2CCN(Cc3ccccn3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50199922 C[C@H]1CN2CCN(Cc3ccc4ccccc4c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
BDBM50272475 COc1ccc(cc1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
BDBM50272476 COc1ccc(cc1OC)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
BDBM50304170 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Br)cc1 |r|
BDBM50304171 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1 |r|
BDBM50304172 CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
BDBM50304173 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1 |r|
BDBM50305506 COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1
BDBM50268583 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50268584 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|
BDBM50268585 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
BDBM50268589 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
BDBM50268590 CC(=O)n1cc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc12 |r|
BDBM50303611 Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNCCCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
BDBM50303612 Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNCCCCCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
BDBM50303613 Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNCCCCCCCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
BDBM50303614 CCN(CCCCN(CC)Cc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O)Cc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
BDBM50303615 CCN(CCCCCCN(CC)Cc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O)Cc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:51:50:39.56.40:42|
BDBM50303616 CCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
BDBM50290970 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1C(C1c1ccccc1)c1ccccc1
BDBM50290971 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)C1C(=C1c1ccccc1)c1ccccc1 |c:18|
BDBM50299727 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
BDBM50299728 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
BDBM50299729 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
BDBM50299730 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
BDBM58705 Fc1cccc(c1)C(=O)NN=C(c1ccccc1)c1cccnc1
BDBM44525 Oc1c(ccc2ccccc12)N=Nc1ccccn1 |w:11.12|
BDBM54528 CC(=NNC(=O)c1cc(Br)ccc1O)c1ccccn1 |w:2.2|
BDBM54529 Clc1ccc(cc1)C(=O)NN=Cc1ccccn1
BDBM50303598 Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15|
BDBM50303599 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccccc2)cc31 |r|
BDBM50303600 O=C(Nc1ccccc1)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
BDBM50303601 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc31 |r|
BDBM50303602 Ic1ccc(NC(=O)Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
BDBM50303603 Ic1ccc(NC(=O)Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15|
BDBM50303604 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CO)c(O)cc31 |r,TLB:0:1:12.20.11:9|
BDBM50303605 OCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:16:15:4.21.5:7|
BDBM50303606 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CNCc2ccccc2)c(O)cc31 |r|
BDBM50303607 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc2CN(Cc4ccccc4)COc2cc31 |r,TLB:0:1:12.28.11:9|
BDBM50303608 Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CN=O |r|
BDBM50303609 NCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
BDBM50303610 CCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:19:18:7.24.8:10|
BDBM58380 Clc1ccc(SCc2cc(=O)[nH]c(n2)-c2ccccn2)cc1
BDBM43416 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
BDBM57944 Fc1ccc2nc(NC(=O)c3ccccn3)sc2c1
BDBM54191 Cc1ccc2c(C)ccc(O)c2n1
BDBM36894 O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc12
BDBM57224 Oc1ccc(CN2CCc3ccccc3C2)c2cccnc12
BDBM57228 CC(=NNC(=S)NCC=C)c1ccccn1 |w:2.2|
BDBM45472 CCC(C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCCC1
BDBM58065 CCOc1cc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)ccc1O |w:8.8|
BDBM37061 COc1cccc2sc(Nc3nc(cs3)-c3ccccn3)nc12
BDBM58569 Cc1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1cccc2cccnc12
BDBM43348 COCc1cc(=O)[nH]c(Nc2nc3ccc(C)cc3o2)n1
BDBM50299731 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
BDBM50299732 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
BDBM47530 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
BDBM47164 Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
BDBM43463 COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
BDBM43494 FC(F)(F)c1ccc(NC(=O)CSC2=NNC(S2)c2ccccn2)cc1 |t:13|
BDBM43495 C(SC1=NNC(S1)c1ccccn1)c1ccccc1 |t:2|
BDBM58765 Clc1ccccc1COc1ccccc1C(=O)NNC(=O)c1csc(n1)N1CCOCC1
BDBM53797 O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccccc1 |c:11,13|
BDBM58004 O=c1[nH]c(nc2sc(cc12)-c1ccccc1)-c1ccccn1
BDBM47739 O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1
BDBM57352 Clc1cccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1
BDBM46960 Clc1ccccc1Cc1cnc(s1)N1C(=N)SCC1=O
BDBM46983 COc1ccc(CCN2C(=O)CS\C2=N/c2ccc(cc2)C(C)C)cc1OC
BDBM38931 Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(=O)[nH]1
BDBM58111 CCCc1nc2oc3c(Cl)ncnc3c2c2CCCCc12
BDBM50300442 CO[C@]12C=C[C@@]3(C[C@@H]1[C@@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:19.36,8.10,wD:5.4,7.8,8.11,2.1,28.29,29.38,c:3,(.49,-5.98,;1.05,-4.54,;.09,-3.34,;-.99,-2.33,;-.42,-1.28,;-1.5,-.69,;.04,-.66,;.84,-1.99,;2.38,-1.96,;1.59,-.62,;3.17,-3.28,;3.12,-.61,;4.66,-.59,;5.41,.76,;6.94,.78,;7.69,2.12,;6.9,3.44,;5.35,3.41,;4.61,2.07,;-2.31,.63,;-3.86,.59,;-4.59,-.77,;-6.12,-.8,;-6.86,-2.16,;-6.06,-3.47,;-6.8,-4.82,;-4.52,-3.44,;-2.66,-4.42,;-1.46,-3.37,;-2.25,-2.05,;-3.44,-.93,;-3.43,1.87,;-2.03,1.87,;-.83,2.83,;-3.78,-2.08,)|
BDBM43393 Clc1cccc(c1)-c1ccc(\C=C2/SC(=N)N(C2=O)c2nccs2)o1
BDBM54365 Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccccc2[N+]([O-])=O)n1 |w:13.13|
BDBM54432 COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1OC
BDBM57848 Cc1cc2nc(sc2cc1C)-n1c(O)c[nH]c1=S
BDBM44132 Oc1ccccc1C(=O)NN=Cc1ccccn1 |w:10.10|
BDBM50300380 C=CCN1CC[C@]23[C@@H]4CCC[C@H]2[C@H]1Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc5CC6[C@@H]7CCCC[C@]7(CCN6CC6CCC6)c5c2)c(O4)c31 |r,THB:34:35:38:44.45.46,53:52:38:44.45.46|
BDBM48648 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)C(Cc1ccccc1)n1cccc1
BDBM49960 CSC(=S)NN=C(C)c1ccccc1 |w:5.4|
BDBM51709 [O-][N+](=O)c1cc(Cl)ccc1N1CCN(CC1)C(=S)NC(=O)c1cccs1
BDBM50300381 CC(CCCCCCC(C)C(=O)Oc1ccc2CC3[C@@H]4CCC[C@@H]5Oc1c2[C@]45CCN3CC=C)C(=O)Oc1ccc2CC3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:58:57:43:49.50.51,THB:25:26:19:28.29.30,15:16:19:28.29.30|
BDBM50303626 COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r,TLB:32:31:20.36.21:23|
BDBM50303627 Ic1ccc(CN(Cc2ccc(I)cc2)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:30:29:18.35.19:21|
BDBM50303628 C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccccc1 |r|
BDBM50303629 COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
BDBM50303630 C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r|
BDBM50303631 C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccccc1 |r,TLB:17:16:5.22.6:8|
BDBM50303632 COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:22:21:10.27.11:13|
BDBM50303633 C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r,TLB:0:5:16.28.15:13|
BDBM50303634 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc31 |r|
BDBM50303635 Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
BDBM40197 Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12 |w:4.4|
BDBM50303847 COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r|
BDBM50303848 CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
BDBM50303849 CN1CC[C@]23[C@H](CCC[C@@H]2C1)Oc1c3cccc1O |r|
BDBM50303850 COc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 |r|
BDBM50303851 COc1cccc2c1O[C@H]1CCC[C@@H]3CN(C)CC[C@]213 |r|
BDBM50303852 Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
BDBM50303853 COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
BDBM54773 Clc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
BDBM54774 COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
BDBM54775 Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1
BDBM54776 CCC(C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCC1
BDBM54777 CCC(C)(N(Cc1ccco1)C(=O)c1cnccn1)C(=O)NC1CCCCC1
BDBM54778 C(Sc1nnc(-c2ccccn2)n1Cc1ccco1)\C=C\c1ccccc1
BDBM54779 Cc1cccc(C)c1NC(=O)C1(CCCC1)N(Cc1ccco1)C(=O)c1ccccn1
BDBM54780 Clc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
BDBM54781 COc1ccc(CN(CC2CCCO2)C(=O)CN2C(=O)COc3ccccc23)cc1OC
BDBM54782 O=C(NC1CCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1
BDBM54783 CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccn1
BDBM54784 CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
BDBM54785 CCC(C)(N(Cc1cccs1)C(=O)c1ccccn1)C(=O)NC1CCCC1
BDBM54786 Cc1cccc(c1)-n1ccnc1CN1CCC(CO)(Cc2ccccc2)CC1
BDBM54787 Cc1ccc(Cl)cc1NC(=S)N(Cc1cccs1)C1CCCC1
BDBM54788 CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
BDBM54789 CC(Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(F)cc1
BDBM54793 CCCCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)N1CCOCC1)c1ccccc1
BDBM54794 CCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)N1CCC2(CC1)OCCO2)c1ccccc1
BDBM54795 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
BDBM54796 CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1cn(Cc2ccccc2)cn1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1 |(7.49,-14.31,;8.26,-12.98,;9.8,-12.99,;10.57,-11.65,;12.11,-11.66,;9.8,-10.32,;8.27,-10.15,;7.96,-8.65,;9.29,-7.88,;10.43,-8.91,;11.94,-8.59,;12.97,-9.74,;12.42,-7.13,;11.39,-5.98,;9.88,-6.3,;8.85,-5.16,;7.35,-5.47,;6.32,-4.33,;6.8,-2.86,;4.81,-4.64,;13.93,-6.81,;14.4,-5.35,;13.38,-4.2,;15.91,-5.03,;16.94,-6.18,;17.26,-7.68,;18.72,-8.16,;16.11,-8.71,;16.39,-3.57,;17.9,-3.25,;18.93,-4.4,;18.37,-1.79,;19.88,-1.47,;20.91,-2.61,;22.44,-2.46,;23.07,-3.86,;24.57,-4.19,;25.05,-5.65,;26.55,-5.98,;27.02,-7.44,;25.99,-8.58,;24.49,-8.26,;24.01,-6.8,;21.92,-4.89,;20.59,-4.12,;17.35,-.64,;17.82,.82,;19.33,1.14,;16.8,1.97,;17.27,3.43,;18.78,3.75,;19.81,2.61,;21.32,2.92,;21.8,4.39,;23.3,4.7,;20.77,5.53,;19.26,5.22,;15.29,1.65,;14.26,2.8,;14.74,4.26,;12.75,2.48,;12.28,1.02,;13.3,-.13,;11.73,3.63,;10.22,3.31,;9.74,1.85,;9.19,4.46,;7.68,4.14,;7.2,2.67,;8.1,1.44,;7.2,.2,;5.75,.67,;4.41,-.1,;3.08,.67,;3.08,2.21,;4.41,2.98,;5.75,2.21,;9.67,5.92,;8.64,7.07,;7.13,6.75,;9.12,8.53,;10.63,8.85,;11.1,10.31,;10.2,11.56,;11.11,12.8,;12.57,12.32,;12.57,10.78,;8.09,9.68,;6.58,9.36,;6.1,7.89,;5.55,10.5,;4.02,10.35,;3.4,11.75,;4.54,12.78,;4.39,14.31,;5.88,12.01,)|
BDBM39052 Clc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
BDBM42532 Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
BDBM53182 CC(N=Nc1ncnc2sc(C)c(C)c12)c1ccccn1 |w:3.3|
BDBM50605 COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:12|
BDBM49381 Cc1cccnc1Nc1nc(cs1)-c1ccccn1
BDBM43883 Clc1cccc(Cc2cnc(s2)N2C(=N)SCC2=O)c1
BDBM50324028 CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
BDBM41591 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1 |w:11.11|
BDBM41593 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1 |w:11.11|
BDBM41600 [O-][N+](=O)c1cccc(c1)C#CC(=O)c1ccccc1
BDBM54797 COc1ccc(NC(=S)NC(NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
BDBM54798 Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
BDBM54799 Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1
BDBM54800 COc1ccc(cc1)C(=O)C(=C/c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:20,22,(15.5,1.39,;14.16,2.16,;12.83,1.39,;11.49,2.16,;10.16,1.39,;10.16,-.15,;11.49,-.92,;12.83,-.15,;8.83,-.92,;8.83,-2.46,;7.49,-.15,;6.16,-.92,;6.16,-2.46,;4.91,-3.36,;5.39,-4.83,;6.93,-4.83,;7.41,-3.36,;7.49,1.39,;8.83,2.16,;8.83,3.7,;7.49,4.47,;6.16,3.7,;6.16,2.16,;4.62,2.16,;3.85,3.5,;3.08,4.83,;3.85,.83,;3.08,-.51,)|
BDBM54801 CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1
BDBM54802 COc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1
BDBM54803 Clc1cc(Cl)c(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(Cl)c1
BDBM54804 Brc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
BDBM54805 Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl
BDBM54806 CCCN(CCC)CC(O)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
BDBM43263 [O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccccc1
BDBM50303625 COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
BDBM54807 COCCN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1c[nH]c2ccccc12 |w:20.21,4.3|
BDBM54808 CC(OC(=O)c1ccccc1C(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)C(=O)Nc1ccc(NC(C)=O)cc1
BDBM42425 O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
BDBM54809 COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N1CCNCC1
BDBM54810 COCCN(CC(=O)NC1CCCCC1)C(=O)\C=C\C(=O)c1ccc(OC)cc1O
BDBM54811 Clc1ncnc2n(-c3ccccc3)c(=S)sc12
BDBM54812 COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c(O)c1
BDBM54813 Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1 |c:25|
BDBM54814 Cc1c(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
BDBM54815 Nc1c2CCCCc2nc2sc3CCCCc3c12
BDBM54816 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(C)cc1)N2Cc1ccc(C)cc1
BDBM54817 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
BDBM54818 CNc1cc(Cl)c2nonc2c1[N+]([O-])=O
BDBM54819 CC(C)(C)c1ccc(cc1)-n1nc(C#N)c(Cl)cc1=O
BDBM54820 COc1ccc(cc1)-n1nc(C#N)c(Cl)cc1=O
BDBM54821 C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@H](Cc3ccccc3)CN=C12)NC(=O)c1ccc(C)c(Br)c1 |t:26|
BDBM54822 COc1ccc(C[C@H]2CN3[C@H](CN=C3N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)C(C)C)cc1 |c:12|
BDBM54823 Clc1cnn(CC(=O)N2CCc3ccccc23)c(=O)c1Cl
BDBM54824 COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)cc1[N+]([O-])=O
BDBM54825 CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
BDBM54826 [H]C12OC([H])([C@@H](C)[C@H]1C)c1cc(OC)c(OC)c(OC)c1-c1c(OC)c3OCOc3cc21 |TLB:10:9:2:7.5,17:20:2:7.5,6:5:2:31.9.21.20,THB:30:31:2:7.5,22:21:2:7.5,8:7:2:31.9.21.20|
BDBM54827 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O |c:26,44|
BDBM54828 CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
BDBM54829 [O-]c1ccccc1Nc1cc(Cl)c2[nH+]onc2c1[N+]([O-])=O
BDBM54830 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(F)cc1)N2Cc1ccc(C)cc1
BDBM54831 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccccc1OCC)N2Cc1ccc(C)cc1
BDBM54832 [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(C)c1)N2Cc1ccccc1
BDBM54833 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(OCC)cc1)N2Cc1ccccc1
BDBM54834 COc1cc(OC)c(OC)cc1CCC(C)NCCC(c1ccccc1)c1ccccc1
BDBM54835 CCN(CC)C(CNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1Cl
BDBM54836 CCC(N=Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1 |w:3.2|
BDBM54837 COc1ccc(cc1)N1CCN(CCCNC(=O)C(=O)c2c(C)n(C)c3ccccc23)CC1
BDBM54838 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
BDBM54839 CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM54840 [O-][N+](=O)c1ccc2nc(Cl)nc(-c3ccccc3)c2c1
BDBM54841 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cccc(c3)-c3cn[nH]c(=O)c3)c2)cc(c1)C(F)(F)F
BDBM54842 COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
BDBM42469 Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
BDBM50284914 CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)CSSCC(=O)N[C@]23CCC(=O)[C@]6(C)Oc7c8c(CC2N(C)CC[C@@]368)ccc7O)C1Cc4ccc5O |TLB:50:49:14:1.3.2,6:5:14:1.3.2,THB:43:35:25:38.41.40,33:34:25:38.41.40|
BDBM50210223 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
BDBM50210224 Cc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210225 CCNC(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
BDBM50210226 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)C1CCCCC1
BDBM50210227 OCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210228 OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
BDBM50210229 NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Cl |w:15.16|
BDBM50210239 COc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210240 CN1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
BDBM50210241 Cc1ccsc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50210242 NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1F)c1ccccc1F
BDBM50271815 COc1ccc(C[C@@H]2CN3[C@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1 |r,c:12|
BDBM50271819 CC(C)C[C@@H]1CN2[C@@H](C)C[NH+]=C2N1CCCC1CCCCC1 |r,c:10|
BDBM50239745 CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
BDBM50302762 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2F)CC1)c1cccc(O)c1
BDBM50302763 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccc(C)cc2)CC1)c1cccc(O)c1
BDBM50302764 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC(C)c2ccccc2)CC1)c1cccc(O)c1
BDBM50302765 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(O)c1
BDBM50302766 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CC2)CC1)c1cccc(O)c1
BDBM50302767 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CCCCC2)CC1)c1cccc(O)c1
BDBM50302768 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC=C)CC1)c1cccc(O)c1
BDBM50302769 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)CC1)c1cccc(O)c1
BDBM50302770 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(OC)c1
BDBM50302771 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(OC)c1
BDBM50302772 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccco2)CC1)c1cccc(OC)c1
BDBM50302773 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccs2)CC1)c1cccc(OC)c1
BDBM50302774 CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccsc2)CC1)c1cccc(OC)c1
BDBM50306297 CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC=C)CC1)c1cccc(O)c1
BDBM50306298 CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CCc2ccccc2)CC1)c1cccc(O)c1
BDBM50306299 CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
BDBM50306300 CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(=O)N(C)C)c1cccc(O)c1
BDBM50306301 CCC(O)(CC)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(c1)C(N)=O
BDBM50240153 CN(CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
BDBM50271772 COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CCCC2CCCCC2)cc1 |r,c:13|
BDBM50271773 COc1ccc(C[C@@H]2CN3[C@@H](C)C[NH+]=C3N2CCC2CC3CCC2C3)cc1 |r,c:13,THB:17:18:24:22.21|
BDBM50306291 CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC(F)(F)F)C1)c1cccc(O)c1
BDBM50306292 CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1
BDBM50306293 CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2ncc[nH]2)C1)c1cccc(O)c1
BDBM50306294 CC(C)(O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
BDBM50306295 CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(c1)C(N)=O
BDBM50306296 CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CC2CC2)CC1)c1cccc(O)c1
BDBM50261175 C[C@H]1C2Cc3cc(c(O)cc3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
BDBM50261176 C[C@H]1C2Cc3ccc(C(N)=O)c(c3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:11:12:1:17.15.16,18:17:1:4.12.3|
BDBM50261177 C[C@H]1C2Cc3cc(c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O)[N+]([O-])=O |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
BDBM50261178 C[C@H]1C2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:13:1:18.16.17,19:18:1:4.13.3|
BDBM50261179 C[C@H]1C2Cc3cc(N)c(cc3[C@@]1(C)CCN2CC1CC1)C(N)=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
BDBM50249017 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |r|