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2795 SMILES Strings for mu/kappa opioid receptor

Compound NameSMILES String
BDBM21015 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
BDBM21123 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM21125 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |r,w:15.15|
BDBM21021 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM21128 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC=C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC=C)C(O)=O
BDBM21146 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM21126 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |w:15.15|
BDBM21127 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
BDBM21121 CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
BDBM21008 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
BDBM21014 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM21025 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM21129 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
BDBM21130 CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
BDBM21114 OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM21864 [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
BDBM26948 Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
BDBM50188533 CN(C)c1ccc2cc3C(=O)N(CC(NC(=O)CCCCCNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](N)Cc4ccc(O)cc4)C(N)=O)C(=O)c3cc2c1
BDBM50188534 CN(C)c1ccc2cc3C(=O)N(CC(NC(=O)CCCCCNC(=O)[C@H](CCC(O)=O)NC(=O)C4Cc5ccccc5CN4C(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C(N)=O)C(=O)c3cc2c1
BDBM50188535 [#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=S)-[#7]=[#6]-1-[#6]=[#6]\[#6](-[#6](=[#6]-1)-[#6](-[#8])=O)=[#6]-1\c2ccc(-[#8])cc2-[#8]-c2cc(-[#8])ccc-12 |w:50.53,c:56,59|
BDBM50188536 CN(C)c1ccc2cc3C(=O)N(CC(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](Cc4ccccc4)C(N)=O)C(=O)c3cc2c1
BDBM50188537 CN(C)c1ccc2cc3C(=O)N(CC(NC(=O)[C@H](CCC(O)=O)NC(=O)C4Cc5ccccc5C(N4)C(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C(N)=O)C(=O)c3cc2c1
BDBM50044897 CN([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)C(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1
BDBM50088361 CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(c1)[N+]([O-])=O |TLB:2:4:13:10.11,10:9:4:6.7,11:12:4:6.7,THB:14:13:4.5.8:10.11,14:13:4:6.7,6:5:13:10.11,7:8:13:10.11|
BDBM50088362 CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1ccccc1 |TLB:2:4:13:10.11,10:9:4:7.6,11:12:4:7.6,THB:7:8:13:10.11,6:5:13:10.11,14:13:4.5.8:10.11,14:13:4:7.6|
BDBM50038011 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([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](-[#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)C([#6])([#6])[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
BDBM50138774 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
BDBM50088377 Clc1ccc(cc1Cl)N1CCCN([C@H](C[NH+]2CCCC2)c2ccccc2)C1=O
BDBM50088379 Clc1cc2CC[C@@H](C(=O)N3CCSC[C@H]3C[NH+]3CCCC3)c2cc1Cl
BDBM50088380 CN([C@@H]1[C@H](CCc2cc(O)ccc12)[NH+]1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50057384 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
BDBM50057385 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(O)=O)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
BDBM50057388 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
BDBM50057389 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)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)NC[C@@H](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
BDBM50057390 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
BDBM50057391 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCCNC1=O)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)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50057392 [#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]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
BDBM50057393 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CNC1=O)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)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50083727 O[C@]12Cc3c([nH]c4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4OCc1ccccc1 |THB:27:16:1:19.25.24,14:15:1:19.25.24|
BDBM50013627 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1-c1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
BDBM50057380 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)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
BDBM50057381 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50013847 CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+]([O-])=O)cc1
BDBM50013849 CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)c1ccc(cc1)N=[N+]=[N-] |TLB:14:25:5:20.18.19,10:9:5:20.18.19,THB:4:5:25.9.8:20.18.19|
BDBM50001105 C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50001106 CC1(C)CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
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|
BDBM50116620 CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCCNC(N)=N |THB:0:1:17:13.14.15,4:3:17:13.14.15|
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|
BDBM50101162 CNC(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:11|
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|
BDBM50120404 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1C[C@@]1(COC(C)=O)c1ccccc1 |TLB:9:10:1:15.13.14,THB:16:15:1:10.4.3|
BDBM50031569 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(N)=O
BDBM50031570 [#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]\[#7]=[#6](\[#7](-[#6])-[#6])-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
BDBM50083729 C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccccc1
BDBM50083730 N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
BDBM50083732 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O
BDBM50083733 N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
BDBM50083734 C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50083735 C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@H](N)Cc1ccccc1
BDBM50083736 N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
BDBM50019056 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50088374 Clc1ccc(cc1Cl)[C@H]1CCN([C@H]2CCCC[C@@H]2[NH+]2CCCC2)C1=O
BDBM50045789 CC(C)CCCCN1CC[C@@](C)([C@H](C)C1)c1cccc(O)c1
BDBM50045790 C[C@H]1CN(CCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045791 C[C@H]1CN(CCCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045792 C[C@H]1CN(CCCC(C)=C)CC[C@@]1(C)c1cccc(O)c1
BDBM50045793 C[C@H]1CN(CC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045794 C[C@@H]1CN(CC[C@@H](O)C2CCCCC2)CC[C@]1(C)c1cccc(O)c1
BDBM50045795 C[C@H]1CN(CC[C@@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50080459 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccccc1
BDBM50080460 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1nccc(-c2ccccc2)c1C[C@@]35O
BDBM50080461 Cc1nc2C3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c(n1)-c1ccccc1)ccc4O
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
BDBM50080470 Cc1cc(-c2ccccc2)c2C[C@@]3(O)[C@H]4Cc5ccc(O)c6OC(c2n1)[C@]3(CCN4CC1CC1)c56
BDBM50034405 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
BDBM50034406 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
BDBM50034407 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1 |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
BDBM50034408 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
BDBM50098672 CCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:29:14:17:6.8.7,12:13:17:6.8.7|
BDBM50098673 CC(=C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
BDBM50098674 C\C=C\CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
BDBM50098675 CCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6|
BDBM50031568 [#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@@H](-[#6]-[#6](-[#8])=O)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
BDBM50029791 CN1CCC2(CC1C(=Cc1cccc(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
BDBM50029792 CN1CCC2(CC1C(=Cc1cccc(I)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
BDBM50029793 CN1CCC2(CC1C(=CC1CC1)C(=O)C2)c1cccc(O)c1 |w:8.9|
BDBM50039024 CCN(CC)C(=O)c1ccc(cc1)[C@H](N1C[C@H](C)N(CC=C)C[C@H]1C)c1cccc(OC)c1
BDBM50039028 CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)N(CC=C)CC1C)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|
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|
BDBM50150809 C[C@@H](NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
BDBM50150810 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1cnc[nH]1)C(O)=O
BDBM50031574 [#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]-1-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
BDBM50117905 NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(NC(=O)CBr)cc1)C(O)=O
BDBM50117903 NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(N)cc1)C(O)=O
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
BDBM50038012 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([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](-[#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)C([#6])([#6])[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
BDBM50038013 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
BDBM50038014 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([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](-[#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)C([#6])([#6])[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
BDBM50038017 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SCCSC(C)(C)[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
BDBM50038018 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@]([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](-[#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)C([#6])([#6])[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
BDBM50038019 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
BDBM50038020 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([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]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#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@@H](-[#6])-[#6]-[#6]
BDBM50038021 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CSCCSC(C)(C)[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50150797 C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)C(N)=O
BDBM50150798 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NCC(N)=O
BDBM50102710 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
BDBM50102711 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)C1Cc2ccc(O)cc2CN1
BDBM50150799 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCCN)C(N)=O
BDBM50150802 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCNC(N)=N)C(N)=O
BDBM50150804 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CO)C(O)=O
BDBM50150805 C[C@@H](NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)C(N)=O
BDBM50150806 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CO)C(N)=O
BDBM50150807 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
BDBM50085021 C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
BDBM50085022 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50085023 C[C@H]1C2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
BDBM50085024 C[C@H]1C2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50085025 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50085026 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCN(C)CC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50085027 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50085028 CCNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:16:15:9:20.6.7,21:20:9:15.13.14|
BDBM50085029 CNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:15:14:8:19.5.6,20:19:8:14.12.13|
BDBM50089153 [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1)N2CC=C |r,TLB:9:7:31:3.2|
BDBM50013626 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
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|
BDBM50056625 Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1c2ccccc2cc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
BDBM50056626 Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1cccc2ccccc12 |w:25.31,THB:8:7:23:18.4.5|
BDBM50101159 CN(C)C(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:12|
BDBM50101160 CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3|
BDBM50095890 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
BDBM50123749 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50123750 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
BDBM50123751 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
BDBM50123752 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
BDBM50123753 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50123754 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)OCCc1ccccc1
BDBM50123755 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1
BDBM50123756 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
BDBM50123757 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1
BDBM50123758 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50123759 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50123760 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O
BDBM50123761 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
BDBM50123762 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1
BDBM50123763 Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50018784 CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)Cc1cccc2occc12
BDBM50018785 CCN(CC)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
BDBM50018786 CN([C@@H]1CCCC[C@H]1N1CCCCCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1
BDBM50018787 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1c(Cl)cc(Cl)cc1Cl
BDBM50018788 CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)Cc1cccc2sccc12
BDBM50029782 CN1CCC2(CC1C(=Cc1ccccc1)C(=O)C2)c1cccc(O)c1 |w:8.9|
BDBM50029783 CN1CCC2(CC1CC(=O)C2)c1cccc(O)c1
BDBM50018781 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1
BDBM50018783 CN(CC=C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
BDBM50130563 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
BDBM50130564 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1
BDBM50083737 N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
BDBM50088370 CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:2:4:13:11.10,11:12:4:6.7,10:9:4:6.7,THB:14:13:4.5.8:11.10,14:13:4:6.7,6:5:13:11.10,7:8:13:11.10|
BDBM50009145 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(O)=O
BDBM50009146 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(O)=O
BDBM50121331 CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:23:22:3:18.19.20,17:18:3:22.28.27,THB:2:3:18.19.20:22.28.27|
BDBM50009142 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
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|
BDBM50045777 C[C@@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@]1(C)c1cccc(O)c1
BDBM50045778 C[C@H]1CN(CCC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045779 CC(C)CCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
BDBM50045780 C[C@H]1CN(CCC(O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045781 C[C@H]1CN(CCC(=O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045782 C[C@H]1CN(CCC2CCC=C2)CC[C@@]1(C)c1cccc(O)c1 |c:9|
BDBM50045783 CC(C)C(O)CCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
BDBM50045784 CC(C)CCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
BDBM50045785 C[C@H]1CN(CCCC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50057379 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50057382 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50057383 [#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](-[#6]-[#6](-[#8])=O)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
BDBM50013619 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2c(F)cccc2c1C[C@@]35O |TLB:17:18:30:7.13.12,3:4:30:7.13.12|
BDBM50013620 CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O
BDBM50013621 Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:28:7.12.11,16:17:28:7.12.11|
BDBM50013622 COc1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |THB:18:32:9:27.25.26,14:13:9:27.25.26|
BDBM50013623 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2c(Br)cccc2c1C[C@@]35O |TLB:17:18:30:7.13.12,3:4:30:7.13.12|
BDBM50013624 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(F)cc2c1C[C@@]35O |TLB:17:18:30:7.13.12,3:4:30:7.13.12|
BDBM50013625 Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:28:7:18:10.16.15,5:6:18:10.16.15|
BDBM50045786 C[C@H]1CN(CCC(O)C2CCCC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045787 CC(C)CCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
BDBM50045788 CCCCCCN1CC[C@@](C)([C@H](C)C1)c1cccc(O)c1
BDBM50105478 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCOc2ccccc2)c1 |THB:17:16:8:4.5.6|
BDBM50105479 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCCC#N)c1 |THB:17:16:8:4.5.6|
BDBM50105481 CCOCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:4:5:13:22.16.15|
BDBM50105484 OC(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31)c1ccco1 |TLB:3:4:12:21.15.14|
BDBM50105485 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC2CCCC2)c1 |THB:17:16:8:4.5.6|
BDBM50105486 OC(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31)c1cccs1 |TLB:3:4:12:21.15.14|
BDBM50105487 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(F)(F)F)c1 |THB:17:16:8:4.5.6|
BDBM50105488 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3Cc2ccccc2)c1 |THB:17:16:8:4.5.6|
BDBM50105489 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3Cc2cccs2)c1 |THB:17:16:8:4.5.6|
BDBM50034248 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50034249 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50085030 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)Cc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50085031 CC(C)Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:17:16:10:21.7.8,22:21:10:16.14.15|
BDBM50085032 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50194237 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCCN)c1nc2ccccc2[nH]1
BDBM50194238 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)NC(CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
BDBM50194242 CC(=O)NCCCCC(NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
BDBM50101158 CN1CC[C@@]23C4Oc5c2c(C[C@@H]1[C@@H]3C=CC4O)ccc5C(N)=O |c:16|
BDBM50029788 CN1CCC2(CC1C(=Cc1ccc(Cl)c(Cl)c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
BDBM50029789 CN1CCC2(CC1C(=Cc1ccc3ccccc3c1)C(=O)C2)c1cccc(O)c1 |w:8.9|
BDBM50029790 COc1cccc(c1)C12CCN(C)C(C1)C(=Cc1ccccc1)C(=O)C2 |w:16.18|
BDBM50038641 Oc1ccc2C[C@@H]3[C@@H]4c5[nH]c6ccccc6c5C[C@@H]5Oc1c2[C@]45CCN3CC1CC1
BDBM50051597 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](CCCNC(N)=N)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
BDBM50051598 [#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](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6@@H](-[#6])-c1ccccc1)-[#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
BDBM50051599 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)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50051600 [#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](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6@@H](-[#6])-c1c(-[#6])cccc1-[#6])-[#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
BDBM50051601 CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)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]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50116622 CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCN1CCCCC1 |THB:0:1:17:13.14.15,4:3:17:13.14.15|
BDBM50116623 CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCCN(C)C |THB:0:1:17:13.14.15,4:3:17:13.14.15|
BDBM50116624 CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=N |THB:0:1:17:13.14.15,4:3:17:13.14.15|
BDBM50060080 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
BDBM50060082 C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C)C(O)=O
BDBM50060083 C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
BDBM50041668 CC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
BDBM50041669 CC1NC(=O)C(NC(=O)C(N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)C(NC(=O)C(Cc2ccccc2)NC1=O)C(O)O
BDBM50001104 C[C@@H]1Cc2ccccc2C(CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50008895 FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
BDBM50008896 FC(F)(F)c1ccccc1CC(=O)N1CCCCC1CN1CCCC1
BDBM50008897 Brc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
BDBM50008898 FC(F)(F)c1cccc(CC(=O)N2CCCCC2CN2CCCC2)c1
BDBM50008899 CCN(CC)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50008900 O=C(Cc1ccc(cc1)C1CCCCC1)N1CCCCC1CN1CCCC1
BDBM50105492 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2cccs2)c1 |THB:17:16:8:4.5.6|
BDBM50105493 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2ccco2)c1 |THB:17:16:8:4.5.6|
BDBM50105494 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC2CCCCC2)c1 |THB:17:16:8:4.5.6|
BDBM50105495 CC(C)CN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:3:4:12:21.15.14|
BDBM50105496 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCc2ccccc2)c1 |THB:17:16:8:4.5.6|
BDBM50105497 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC#N)c1 |THB:17:16:8:4.5.6|
BDBM50105498 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCCF)c1 |THB:17:16:8:4.5.6|
BDBM50068665 C[C@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1
BDBM50159686 CC(C)c1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50003747 CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
BDBM50021500 [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |r,THB:10:9:4.5.6:17|
BDBM50038402 CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
BDBM50038403 CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
BDBM50038404 CC1(C)SSC[C@H](NC(=O)[C@]2(N)CCc3cc(O)ccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
BDBM50009127 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1sc2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |TLB:3:4:43:7.13.12,45:26:37:29.35.34,17:18:43:7.13.12,24:25:37:29.35.34|
BDBM50007329 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
BDBM50027512 CC(O)=O.CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
BDBM50043712 CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
BDBM50043717 CC(C)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O
BDBM50043718 CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
BDBM50000793 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CO1
BDBM50007095 [H][C@]12Cc3ccc(O)cc3[C@@](CC)(CCN1Cc1ccoc1)[C@H]2CC |r,THB:16:15:22:9.3.2,8:9:22:13.15.14|
BDBM50007096 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccco1 |THB:16:15:1:10.4.3|
BDBM50059582 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](Cc1ccc(O)cc1)N(CC=C)CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50059583 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](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50059584 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](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50059585 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](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50059586 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](Cc1ccc(O)cc1)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50057386 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCNC1=O)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)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50057387 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50021495 [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:65:64:48:69.52.51,THB:9:8:16:4.5.6|
BDBM50021496 [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6|
BDBM50021497 [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:70:69:53:71.57.56,THB:9:8:13:4.5.6|
BDBM50021498 [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:49:48:32:53.36.35,THB:9:8:16:4.5.6|
BDBM50021499 [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:57:56:40:61.44.43,THB:9:8:16:4.5.6|
BDBM50036244 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
BDBM50036245 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccccc1CN=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
BDBM50036247 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(CN=C=S)c1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
BDBM50159680 Cc1cc(O)c(C)c(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50159681 CCc1cc(O)cc(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50159682 Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50159683 CC(C)c1cc(O)cc(C(C)C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50159684 CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50159685 Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O
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|
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|
BDBM50019828 C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50019829 [#6][S+]([#8-])[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
BDBM50019830 [#6]-[#8]-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]
BDBM50019831 CN(CC(N)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50019832 [#6]-[#8]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]
BDBM50038410 CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)N([C@@H](CS)C1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)S |r|
BDBM50038411 CC(C)(S)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r|
BDBM50123274 [#7]\[#6](-[#7])=[#7]/c1cnc2-[#6@@H]3-[#8]-c4c5c(-[#6]-[#6@H]6-[#7](-[#6]-[#6]-7-[#6]-[#6]-7)-[#6]-[#6][C@@]35[C@@]6([#8])[#6]-c2c1)ccc4-[#8]
BDBM50123275 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(NCc2ccccc2)cc1C[C@@]35O
BDBM50123276 Nc1cnc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c1)ccc4O
BDBM50043719 CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50067446 C[C@H]1C2CCCC1(CCN2C)c1cccc(O)c1
BDBM50067447 C[C@H]1C2CCCC1(CCN2CCc1ccccc1)c1cccc(O)c1
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
BDBM50054439 CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50054440 CN([C@H](CN1CCCC1)c1cccc(NC(=O)[C@H](N)CC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50126656 CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50126657 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50126658 CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50091023 CC(C)CC(NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCNC(N)=N |TLB:18:17:27.21.20:12.14.13|
BDBM50091024 CC(C)CC(NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCN |TLB:18:17:27.21.20:12.14.13|
BDBM50091025 CCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:29:28:38.32.31:23.25.24|
BDBM50091027 CCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:30:29:39.33.32:24.26.25|
BDBM50091028 CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCCN |TLB:22:21:31.25.24:16.18.17|
BDBM50200607 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(N)=O)c2=O)C(C)C)c1 |w:9.8|
BDBM50051602 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](CCCCN)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
BDBM50051603 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](Cc1ccccc1)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
BDBM50051604 [#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](-[#6]-[#6]-[#6]-[#6]-[#7])-[#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](-[#7])=O
BDBM50071864 CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
BDBM50071865 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NC1CCNc2ccc(Cc3ccccc3)cc12
BDBM50013147 CO[C@H]1CC([C@H](C[C@H]1OC)N1CCCC1)N(C)C(=O)Cc1cccc2sccc12
BDBM50200601 CNCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
BDBM50029784 COc1cccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)c1 |w:7.6|
BDBM50029785 CN1CCC2(CC1C(=Cc1ccc(Cl)cc1)C(=O)C2)c1cccc(O)c1 |w:8.9|
BDBM50029786 COc1ccc(C=C2C3CC(CCN3C)(CC2=O)c2cccc(O)c2)cc1 |w:6.5|
BDBM50029787 CN1CCC2(CC1C(=Cc1ccc(I)cc1)C(=O)C2)c1cccc(O)c1 |w:8.9|
BDBM50036134 OC(=O)CNC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67 |TLB:33:32:14:37.18.17,23:37:14:32.30.31,15:14:37.18.17:32.30.31,THB:13:14:37.18.17:32.30.31|
BDBM50036248 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(CN=C=S)cc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
BDBM50036249 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
BDBM50040123 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
BDBM50007376 CC[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50051180 CC[C@@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)C[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1
BDBM50051181 CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)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
BDBM50203822 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
BDBM50203829 Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)cc(C)c1O
BDBM50021501 [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:46:45:29:47.33.32,THB:9:8:13:4.5.6|
BDBM50021502 [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6|
BDBM50021503 [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(C)=O)ccc3O |r,THB:10:9:14:4.5.6|
BDBM50050752 [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |w:24.24,c:27,30|
BDBM50050753 [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |w:20.20,c:23,26|
BDBM50050755 CN(C(CN1CCCC1)c1ccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |(-1.69,-15.08,;-1.72,-13.54,;-.39,-12.75,;.98,-13.51,;1.38,-15.03,;2.93,-15.2,;3.25,-16.71,;1.9,-17.5,;.75,-16.45,;-.43,-11.21,;.88,-10.43,;.85,-8.89,;-.49,-8.13,;-.55,-6.56,;1.03,-6.56,;1.06,-8.09,;2.36,-5.76,;3.7,-6.5,;3.73,-8.04,;5.08,-8.78,;6.4,-7.97,;6.35,-6.43,;5.01,-5.7,;6.33,-4.88,;7.68,-4.09,;4.99,-4.13,;7.74,-8.71,;7.77,-10.25,;6.46,-11.04,;6.5,-12.58,;7.86,-13.31,;7.89,-14.85,;9.17,-12.52,;9.12,-10.98,;10.43,-10.19,;10.39,-8.65,;12.1,-7.77,;12.19,-5.87,;13.9,-4.99,;10.59,-4.83,;8.89,-5.71,;8.79,-7.6,;-1.82,-8.95,;-1.79,-10.48,;-3.07,-12.81,;-3.1,-11.27,;-4.39,-13.6,;-5.73,-12.87,;-5.76,-11.31,;-7.13,-10.59,;-8.44,-11.38,;-9.78,-10.64,;-8.41,-12.92,;-9.73,-13.72,;-7.06,-13.67,)|
BDBM50021492 [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6|
BDBM50021493 [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:73:72:56:77.60.59,THB:9:8:16:4.5.6|
BDBM50021494 [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |THB:9:8:13:4.5.6|
BDBM50010704 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
BDBM50010705 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50010706 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]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
BDBM50163914 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50017076 CN1CCC[C@@]11CCCC[C@@H]1NC(=O)Cc1ccc(Br)cc1
BDBM50017077 CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1
BDBM50017078 CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)cc1C
BDBM50017079 CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1
BDBM50008846 CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(C)(C)CN1CCCC1
BDBM50065859 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cccc(OCc4ccccc4)c2c1C[C@@]35O
BDBM50065861 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)-c1ccccc1
BDBM50065862 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(cccc2c1C[C@@]35O)-c1ccccc1
BDBM50065863 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccc(\C=C\c4ccccn4)cc2c1C[C@@]35O
BDBM50065864 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccc(Oc4ccccc4)cc2c1C[C@@]35O
BDBM50059370 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50027508 CC(O)=O.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(N)=O |r|
BDBM50027509 CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50027510 CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50027511 CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
BDBM50065851 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cccc(Oc4ccccc4)c2c1C[C@@]35O
BDBM50065852 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(OCc4ccccc4)ccc2c1C[C@@]35O
BDBM50065853 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cccc(-c4ccccc4)c2c1C[C@@]35O
BDBM50065854 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(Oc4ccccc4)cccc2c1C[C@@]35O
BDBM50027503 CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50027505 CC(O)=O.CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
BDBM50027506 CC(O)=O.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r|
BDBM50027507 CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCCNC1=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50027405 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50036266 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
BDBM50019827 CN(CC(O)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50043714 CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
BDBM50043715 CC(C)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
BDBM50043716 CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
BDBM50128412 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)C=O |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50051592 [#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](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6@@H](-[#6])-c1ccccc1)-[#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
BDBM50077082 CCCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC
BDBM50077083 CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccc1
BDBM50077084 CCN(CC)C(=O)c1ccc(cc1)C(N(CCN(C)C)Cc1ccccc1)c1ccccc1
BDBM50043713 CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
BDBM50172013 Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O |w:19.19|
BDBM50048803 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
BDBM50051179 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CC(O)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
BDBM50077067 COc1cccc(c1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)-c1ccccn1
BDBM50077059 CCN(CC)C(=S)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50065855 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(ccc2c1C[C@@]35O)-c1ccccc1
BDBM50065856 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(Oc4ccccc4)ccc2c1C[C@@]35O
BDBM50065857 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2ccc(OCc4ccccc4)cc2c1C[C@@]35O
BDBM50065858 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(OCc4ccccc4)cccc2c1C[C@@]35O
BDBM50091022 CC(C)CC(NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCN |TLB:18:17:27.21.20:12.14.13|
BDBM50072452 C[C@@]12CN(CCc3ccccc3)CC[C@@]1(Cc1ccccc1C2)c1cccc(O)c1
BDBM50072453 CN1CC[C@@]2(Cc3ccccc3C[C@]2(C)C1)c1cccc(O)c1
BDBM50045116 COC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
BDBM50045117 CC1C2Cc3ccc(O)cc3[C@]1(C)CCN2CCCc1ccccc1 |TLB:9:10:1:15.13.14,16:15:1:10.4.3|
BDBM50045118 COC(=O)[C@]1(C[C@@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
BDBM50045119 CCCCOC(=O)[C@@]1(CC1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:10:11:16:26.20.19|
BDBM50045120 CCOC(=O)[C@@]1(CC1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:8:9:14:24.18.17|
BDBM50045121 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1C[C@]1(C(O)=O)c1ccccc1 |TLB:16:15:1:10.4.3|
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
BDBM50105476 OC(CCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31)c1ccccc1 |TLB:3:4:12:21.15.14|
BDBM50105477 COCCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(O)ccc31 |TLB:3:4:12:21.15.14|
BDBM50069179 O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4C=C
BDBM50069180 COc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
BDBM50069181 O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccccc1
BDBM50069175 Cc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
BDBM50069176 Oc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
BDBM50069177 O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccco1
BDBM50102806 CCCCN1CCN(C(C1)[C@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50027409 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(C)CC(C)C
BDBM50188156 CNC[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)NC
BDBM50043720 CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50043721 CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50050506 COc1ccc2c3c(CC4CC3(CCN4C)c3cccc(O)c3)[nH]c2c1
BDBM50050507 COc1cccc2c3c(CC4CC3(CCN4C)c3cccc(O)c3)[nH]c12
BDBM50019647 NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45 |w:4.3,TLB:24:23:8:28.12.11,17:28:8:23.21.22,9:8:28.12.11:23.21.22|
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
BDBM50139899 CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccccc1
BDBM50017233 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
BDBM50044863 Cn1c2C[C@H]3CCN(C[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)C(=O)OCc1ccccc1 |THB:19:18:14:30.28.29,23:35:14:30.28.29|
BDBM50044865 Cn1c2C[C@H]3CCNC[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:23:35:14:30.28.29,19:18:14:30.28.29|
BDBM50044871 CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
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,)|
BDBM50010703 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]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
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|
BDBM50056543 CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1
BDBM50056544 CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(I)c1
BDBM50009194 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50009195 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50009196 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50009198 CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50059371 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50018771 CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl
BDBM50018772 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM50018773 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccs1
BDBM50018774 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccc(Cl)cc1
BDBM50174198 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
BDBM50189252 C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
BDBM50189253 C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |THB:7:8:12:1.3.2,21:9:12:1.3.2|
BDBM50189254 C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OS([O-])(=O)=O |c:16,THB:7:8:12:1.3.2,17:9:12:1.3.2|
BDBM50189256 CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:12,TLB:22:23:11:27.25.26,7:8:11:27.25.26|
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|
BDBM50189258 C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
BDBM50189259 COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:9,TLB:19:20:8:24.22.23,4:5:8:24.22.23|
BDBM50189260 C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
BDBM50188167 NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1
BDBM50084129 CC(C)(C)c1ccc(cc1)C(C1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
BDBM50059369 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50041568 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C=C8N(CCNC(=O)OCc9ccccc9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |t:31,TLB:54:26:46:29.44.43,24:25:46:29.44.43|
BDBM50041569 NCC(=O)NCC(=O)N1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
BDBM50041570 NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
BDBM50108489 C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
BDBM50108490 C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
BDBM50108486 CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
BDBM50108487 CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
BDBM50108488 NCCCC[C@@H]1N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
BDBM50108491 C[C@H]1NC[C@H](Cc2ccccc2)NC(=O)[C@H](CCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
BDBM50089154 CCN(CC)C(=O)c1ccc(cc1)N(C1CC2CCC(C1)N2C\C=C/C)c1cccc(OC)c1 |TLB:13:14:21:17.18|
BDBM50089155 [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1)N2CC=C |r,TLB:9:7:30:3.2|
BDBM50022784 CNCCC(Oc1ccccc1C)c1ccccc1
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|
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
BDBM50218796 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
BDBM50000518 CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50017214 CN([C@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50051595 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](Cc1ccccc1)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
BDBM50051596 [#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](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6@@H](-[#6])-c1c(-[#6])cccc1-[#6])-[#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
BDBM50038642 CN1CC[C@]23[C@@H]4Cc5c([nH]c6ccccc56)[C@H]2[C@H]1Cc1ccc(O)c(O4)c31
BDBM50035471 CN([C@H](CN1CCCC1)c1cccc(c1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50018764 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccc(Cl)c(Cl)c1
BDBM50056628 Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
BDBM50056629 Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc(cc1)-c1ccccc1 |w:25.31,THB:8:7:23:18.4.5|
BDBM50056632 CC(C)CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC(=Cc1ccc2ccccc2c1)C4=O)ccc5O |w:19.22,THB:3:4:15:11.12.13|
BDBM50000796 CC(=O)O[C@]12CC[C@@H](OC[C@@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
BDBM50000797 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CO1
BDBM50000798 CC(=O)O[C@]12CC[C@@H](OC[C@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
BDBM50001469 CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
BDBM50019833 CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50019834 C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50019835 COC(=O)C(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50019836 COC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50002185 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(C)=O)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(N)=O
BDBM50002186 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](CCCCNC(C)=O)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(N)=O
BDBM50036242 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5|
BDBM50008888 CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50008889 CC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
BDBM50008890 Oc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
BDBM50008891 Fc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
BDBM50008892 Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
BDBM50008893 Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1C
BDBM50008894 Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
BDBM50135800 Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
BDBM50010700 C[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50050751 [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |w:32.32,c:35,38|
BDBM50002179 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](CCCCNC(C)=O)C(N)=O
BDBM50002180 CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(C)=O)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(N)=O
BDBM50002181 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)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(N)=O
BDBM50000795 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CC(=C)C(=O)O1
BDBM50019839 COC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50019840 C[S+]([O-])CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
BDBM50049375 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CC1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50049376 CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(CCCC1)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
BDBM50018635 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
BDBM50018636 CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O)C(N)=O
BDBM50018637 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
BDBM50018638 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC1=O)C(N)=O
BDBM50018639 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
BDBM50108346 C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:10:27:2:25.23.24|
BDBM50108347 CCCC[C@@H]1C2C3Cc4ccc(OC)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:14:31:5:29.27.28|
BDBM50108348 COc1ccc2CC3C4[C@@H](C)c5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:22:23:8:27.25.26|
BDBM50021504 [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:46:45:29:47.33.32,THB:9:8:13:4.5.6|
BDBM50108349 CCCC[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:13:30:5:28.26.27|
BDBM50108351 COc1ccc2CC3C4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2C45CCN3C |TLB:21:22:8:26.24.25|
BDBM50163913 NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50027410 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50051605 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](CCC(O)=O)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
BDBM50051606 [#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](-[#6]-[#6]-[#6](-[#8])=O)-[#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](-[#7])=O
BDBM50019092 CCOC(=O)[C@@]1(CCCN(C)C1)c1cccc(O)c1
BDBM50019093 CCOC(=O)[C@@]1(CCCN(CC2CC2)C1)c1cccc(O)c1
BDBM50019094 CCOC(=O)[C@@]1(CCCN(CC=C)C1)c1cccc(O)c1
BDBM50019095 CCOC(=O)[C@@]1(CCCN(CC=C)[C@H]1C)c1cccc(O)c1
BDBM50019097 CCOC(=O)[C@@]1(CCCN(CC2CC2)[C@H]1C)c1cccc(O)c1
BDBM50019098 CCOC(=O)[C@@]1(CCCN(C)[C@H]1C)c1cccc(O)c1
BDBM50166213 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCC=C)ccc5O |TLB:7:8:12:1.3.2,21:9:12:1.3.2|
BDBM50166214 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1cccc2ccccc12)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
BDBM50166215 CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)C1Cc4ccc5O |TLB:26:25:14:1.3.2,6:5:14:1.3.2|
BDBM50166216 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1ccccc1)ccc5O |TLB:25:9:12:1.3.2,7:8:12:1.3.2|
BDBM50166217 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1c(Cl)cccc1Cl)ccc5O |TLB:7:8:12:1.3.2,27:9:12:1.3.2|
BDBM50018762 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12
BDBM50018763 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1c[nH]c2ccccc12
BDBM50000296 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50037188 C[N+]1(C)CCC2(CC1C(=Cc1ccccc1)C(=O)C2)c1cccc(O)c1 |w:9.10|
BDBM50018765 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1c(Cl)cccc1Cl
BDBM50018766 CN(CC1CC1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
BDBM50018767 CN([C@@H]1CCCC[C@H]1N1CCCCCCC1)C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl
BDBM50018768 CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)COc1cc(C)c(Cl)c(C)c1
BDBM50009676 NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50009677 NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
BDBM50002345 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](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50000785 CN([C@H]1CC(=O)CC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000786 CN([C@H]1C[C@@]2(CC(=C)C(=O)O2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50083924 C[C@H]1C2N(CC3CCCO3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:21.14.20:1,15:14:1:3.11.10,THB:22:21:1:3.11.10|
BDBM50008847 C[C@@H](CN(C)C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1
BDBM50008848 CN([C@@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50008849 C[C@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50008850 CN(CCN1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50198062 CC(CCN(C)Cc1ccccc1)c1ccc(cc1)-c1ccccc1
BDBM50001675 Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
BDBM50001677 Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3CCc1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
BDBM50001678 Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3C\C=C\c1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24|
BDBM50001679 Oc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:33:7.17.16,21:22:33:7.17.16|
BDBM50008853 CN([C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1)C(=O)C1CCc2c(Br)sc3cccc1c23
BDBM50008854 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cccc2sccc12
BDBM50008855 CN([C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1)C(=O)C1CCc2csc3cccc1c23
BDBM50059825 COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCCC1
BDBM50059826 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N(C(C)C)C(C)C
BDBM50200597 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1 |w:9.8|
BDBM50069558 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50069559 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50069560 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50013968 CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N
BDBM50018632 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O
BDBM50018633 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@@H](NC1=O)C1CCCCC1)C(N)=O
BDBM50018634 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
BDBM50200588 COC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
BDBM50200589 CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O |w:20.20|
BDBM50200592 CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
BDBM50200594 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCSC)c2=O)C(C)C)c1 |w:9.8|
BDBM50200595 COCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
BDBM50009129 Cn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2C[C@@]3(O)C5Cc6ccc(O)c7O[C@@H](c12)[C@]3(CCN5CC1CC1)c67)ccc4O |TLB:46:7:18:10.16.15,5:6:18:10.16.15,THB:29:28:24:40.38.39,33:45:24:40.38.39|
BDBM50009130 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1=C(C[C@@]35O)C(C2=C(O1)[C@@H]1Oc3c4c(CC5N(CC6CC6)CC[C@@]14[C@@]5(O)C2)ccc3O)c1ccccc1 |c:23,31,TLB:3:4:22:7.13.12,46:32:43:35.41.40,30:31:43:35.41.40,17:18:22:7.13.12|
BDBM50089156 [H][C@]12[#6]-[#6][C@]([H])([#6]-[#6@@H](-[#6]1)-[#7](-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6])-c1cccc(-[#8]-[#6])c1)[#7]2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:9:7:31:3.2|
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
BDBM50191056 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50050510 CN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1ccccc1
BDBM50019091 CCOC(=O)[C@@]1(CCCN(CCc2ccccc2)[C@H]1C)c1cccc(O)c1
BDBM50021490 [H][C@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc5ccc(O)c6O[C@@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:62:61:45:63.49.48,THB:9:8:13:4.5.6|
BDBM50043723 CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50043724 CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50043725 CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50019837 CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50019838 CNC(=N)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC[S+](C)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C(=O)OC
BDBM50031571 [#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]-1-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
BDBM50031572 [#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]\[#7]=[#6](\[#7](-[#6])-[#6])-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
BDBM50031573 [#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]-[#7]=[#6](-[#7](-[#6])-[#6])-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
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
BDBM50076005 CO[C@@]12CCC3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:28:27:5:29.16.15|
BDBM50031575 [#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]-1-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
BDBM50007335 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccccc1
BDBM50007336 CN(C(CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007337 CCN([C@H](CN1CCCC1)C(C)C)C(=O)Cc1ccccc1
BDBM50017060 CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(cc1)C(F)(F)F
BDBM50017061 CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)cc1Cl
BDBM50135808 Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
BDBM50009183 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=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
BDBM50009184 CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50009185 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(O)=O
BDBM50009186 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50076002 COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24|
BDBM50202114 CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50001053 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](Br)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
BDBM50169774 CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50139009 C[C@@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
BDBM50139011 C[C@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
BDBM50139012 C[C@@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
BDBM50139013 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50032525 COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34O)c12 |TLB:24:23:25.7.8:10.16.15,11:10:23:25.7.8,THB:2:25:23:10.16.15|
BDBM50032526 COc1c(O)ccc2CC3N(CC=C)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:11:10:22:25.7.8,23:22:25.7.8:10.15.14,THB:2:25:22:10.15.14|
BDBM50032527 CCO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2ccc(O)c(OC)c12 |TLB:2:3:27.19.18:12.10.11,24:27:3:12.10.11,13:12:3:27.19.18|
BDBM50032528 CCCCOc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:27:26:29.10.11:13.19.18,14:13:26:29.10.11,THB:5:29:26:13.19.18|
BDBM50032530 COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12 |TLB:24:23:26.7.8:10.16.15,11:10:23:26.7.8,THB:2:26:23:10.16.15|
BDBM50034623 CCC(=O)N([C@@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1
BDBM50103974 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](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50103975 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](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50103977 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)CNOC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50103978 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)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50199859 Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=C
BDBM50103973 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](Cc1ccc(O)cc1)NOC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50068646 C[C@H]1[C@H](N(Cc2ccccc12)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50068647 C[C@@H]([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1
BDBM50021491 [H][C@@]12Oc3c4c(C[C@H]5N(C)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4C)c56)ccc3O |TLB:54:53:37:55.41.40,THB:9:8:13:4.5.6|
BDBM50189245 COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |TLB:19:20:8:24.22.23,4:5:8:24.22.23|
BDBM50189246 C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
BDBM50189247 C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
BDBM50189248 C[N+]1(C)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |c:17,THB:8:9:13:1.4.3,22:10:13:1.4.3|
BDBM50189249 CC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:13,TLB:23:24:12:28.26.27,8:9:12:28.26.27|
BDBM50189250 CC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)C |c:11,TLB:21:22:10:26.24.25,6:7:10:26.24.25|
BDBM50189251 C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)C(C)(C)C |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
BDBM50157684 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
BDBM50157685 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCN |r|
BDBM50157686 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wU:10.11,wD:27.29,(9.42,-23.16,;9.42,-24.7,;8.07,-25.47,;8.07,-27.02,;6.73,-27.79,;9.41,-27.78,;10.75,-27.02,;12.09,-27.79,;10.75,-25.47,;12.09,-24.69,;13.43,-25.47,;13.43,-27.01,;14.77,-24.69,;14.77,-23.15,;16.11,-25.47,;16.11,-27.02,;17.44,-27.79,;17.44,-29.33,;18.77,-30.1,;20.11,-29.33,;20.11,-27.79,;18.77,-27.02,;18.77,-25.47,;17.45,-24.7,;17.45,-23.15,;16.1,-22.38,;18.78,-22.38,;18.78,-20.84,;20.12,-20.06,;21.47,-20.84,;22.8,-20.07,;22.8,-18.53,;24.14,-20.85,;17.45,-20.07,;16.12,-20.84,;17.45,-18.53,;16.12,-17.76,;14.78,-18.53,;13.45,-17.76,;12.12,-18.54,;10.78,-17.77,;9.45,-18.54,;8.11,-17.77,;8.11,-16.23,;6.78,-18.54,;5.45,-17.77,;5.45,-16.24,;4.12,-15.47,;2.79,-16.24,;2.79,-17.79,;4.13,-18.55,;1.69,-18.66,;.4,-18.71,;2.09,-20.17,;1.45,-15.47,;1.45,-13.94,;2.78,-13.18,;2.78,-11.64,;1.44,-10.88,;1.44,-9.34,;.12,-11.64,;.13,-13.17,;-1.21,-13.94,;-1.21,-15.47,;-2.54,-16.23,;-2.55,-17.78,;-3.89,-18.54,;-1.21,-18.55,;.12,-17.8,;.13,-16.25,)|
BDBM50174199 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)[C@@H](N)Cc1ccccc1
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|
BDBM50271918 COc1ccc(C[C@@H]2CN3[C@@H](C[NH+]=C3N2CCC23CC4CC(CC(C4)C2)C3)C2CCCCC2)cc1 |r,c:12,TLB:16:17:20.19.24:22,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|
BDBM50122872 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
BDBM50039183 CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1
BDBM50252855 C[C@@H](Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O |r|
BDBM50252856 C[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O |r|
BDBM50139015 C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
BDBM50076495 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
BDBM50076496 COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1O)[nH]c1ccccc51
BDBM50076497 CCN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(OC)c(O)c31
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|
BDBM50271454 C[C@H]1C[NH+]=C2N(CCC34CC5CC(CC(C5)C3)C4)[C@H](CN12)C1CCCCC1 |r,t:3,TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
BDBM50271455 CC(C)C[C@@H]1CN2[C@@H](C)C[NH+]=C2N1CCC1CC2CCC1C2 |r,c:10,THB:14:15:21:19.18|
BDBM50096717 CC(C)C[C@H](NC(=O)[C@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50096718 CC(C)C[C@H](NC(=O)[C@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
BDBM50041147 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
BDBM50091019 CC(C)CC(NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCN |TLB:18:17:27.21.20:12.14.13|
BDBM50091020 CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCN |TLB:22:21:31.25.24:16.18.17|
BDBM50091021 CCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:32:31:41.35.34:26.28.27|
BDBM50091029 CCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:34:33:43.37.36:28.30.29|
BDBM50130614 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C
BDBM50202112 CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50180190 Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 |TLB:16:15:5.22.4:7|
BDBM50001674 Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@H]35 |TLB:3:4:25:7.9.8,13:14:25:7.9.8|
BDBM50076001 C[C@@H]1CO[C@@]23CCC4(C[C@H]12)C1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11,17:28:7:23.21.22,THB:6:7:28.12.11:23.21.22|
BDBM50202115 CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50038425 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)[C@@H](C)c1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O
BDBM50000087 Oc1cccc(c1)C12CCCC[C@H]1CN(CC1CC1)CC2
BDBM50027406 CC(C)CC(C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50027407 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
BDBM50027408 C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)=O)C(O)=O
BDBM50009222 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12 |c:23,TLB:17:18:22:7.13.12,3:4:22:7.13.12|
BDBM50007162 Clc1ccc(CC(=O)N2CCc3c([nH]c4ccccc34)C2CN2CCCC2)cc1Cl
BDBM50007163 Clc1ccc(CC(=O)N2CCc3[nH]c4ccccc4c3C2CN2CCCC2)cc1Cl
BDBM50007164 FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
BDBM50007165 Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1Cl
BDBM50007166 Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl
BDBM50007167 FC(F)(F)c1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1
BDBM50028653 CC1C2Cc3ccc(O)cc3C1(C)CC(C#N)N2C |THB:0:1:17.13.14:10.3.4|
BDBM50028654 CC1C2Cc3ccc(O)cc3C1(C)CC(N2C)C(N)=O |THB:0:1:15.14.13:10.3.4|
BDBM50028655 CC1C2(C)CCN(C)C1(Cc1ccc(O)cc21)C(N)=O |TLB:0:1:16.9.10:6.4.5|
BDBM50018707 CC[C@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
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
BDBM50018709 CC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50018710 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)NNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50018711 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50018713 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(O)=O
BDBM50007347 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(F)c(F)c1
BDBM50007348 CNC[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007349 CCCN(C)C[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007350 COc1ccc(cc1OC)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50018728 CN1CCC2(CCCC[C@H]2C1)c1cccc(O)c1
BDBM50018730 Oc1cccc(c1)C12CCCC[C@H]1CN(CCc1ccccc1)CC2
BDBM50001466 CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50001467 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
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
BDBM50043711 CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50019048 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
BDBM50001705 COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
BDBM50001706 COC(=O)C(C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
BDBM50001707 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
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|
BDBM50018733 CCN1CCC2(CCCC[C@H]2C1)c1cccc(O)c1
BDBM50001712 COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OCC(=C)C(=O)OC)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
BDBM50001713 CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4OCC(=C)C(=O)OC |wU:3.2,20.22,wD:25.29,14.15,8.8,6.5,11.12,3.4,c:9,(9.11,-3.65,;7.57,-3.65,;6.8,-2.32,;5.26,-2.32,;5.23,-.78,;5.65,-3.81,;3.72,-2.32,;2.95,-.99,;1.41,-.96,;1.41,-2.5,;2.92,-2.11,;2.92,-3.65,;3.69,-5,;5.23,-5,;1.38,-3.65,;-.18,-4.02,;-1.65,-3.62,;-.88,-2.29,;-1.65,-.96,;-.9,.37,;.64,.37,;1.03,1.86,;1.97,3.07,;-.3,1.09,;-.72,-1.52,;.64,-2.29,;-3.19,-.96,;-3.96,-2.29,;-3.19,-3.62,;-3.96,-4.95,;-5.5,-4.95,;-6.27,-6.31,;-5.5,-7.64,;-7.81,-6.31,;-8.58,-7.64,;-8.58,-4.95,;-7.81,-3.62,)|
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|
BDBM50001715 COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6OCC(=C)C(=O)OC
BDBM50028652 CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C1CC2(C)C(C)C(Cc3ccc(O)cc23)N1C)C(N)=O |r,THB:32:31:42.27.28:41.34.35|
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50071860 CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
BDBM50071861 CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
BDBM50071862 CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O |r|
BDBM50008980 CCC(=O)N(c1ccccc1)C1(CCN(CCn2cccn2)CC1)C(=O)OC
BDBM50008981 CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)c3ccccc3C2=O)CC1
BDBM50008982 CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cccn2)CC1
BDBM50018640 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
BDBM50017698 CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
BDBM50013962 CN(C1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc2OCOc2c1
BDBM50068657 C[C@H]([C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
BDBM50111906 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
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|
BDBM50068659 C[C@H]([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
BDBM50068661 C[C@@H]([C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O)c1ccccc1
BDBM50068663 C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
BDBM50068664 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50039968 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)N=C=S
BDBM50039969 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1N=C=S
BDBM50039970 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cc(Cl)c(Cl)cc1N=C=S
BDBM50035473 CN([C@H](CN1CCCC1)c1ccc(cc1)N=C=S)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50035474 CN(C(CN1CCCC1)c1ccc(N)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50035476 CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50042660 COC(=O)CC(SCC(N)C(O)=O)C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |THB:28:39:19:34.32.33,24:23:19:34.32.33|
BDBM50042662 COC(=O)CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |THB:37:36:32:47.45.46,41:52:32:47.45.46|
BDBM50126003 Cc1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(N)=O
BDBM50039966 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1
BDBM50039967 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)N=C=S
BDBM50125996 Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
BDBM50125997 Cc1cccc(C)c1C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(N)=O
BDBM50125998 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
BDBM50199864 Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=C
BDBM50199865 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50271346 CC(C)C[C@@H]1CN2[C@@H](C[NH+]=C2N1CCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 |r,c:9,TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
BDBM50098187 CCCSCCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:21:22:8:26.32.31,THB:27:26:8:22.23.24,7:8:22.23.24:26.32.31|
BDBM50098188 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NC=O |TLB:8:7:29:18.4.5,30:29:18.4.5:7.13.12,THB:17:18:29:7.13.12|
BDBM50038407 C[C@](N)(Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
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|
BDBM50059822 CCCCN(CCCC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50059823 COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N(C(C)C)C(C)C
BDBM50049808 CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
BDBM50051169 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
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|
BDBM50098185 CCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OC |TLB:16:17:3:21.27.26,THB:22:21:3:17.18.19,2:3:17.18.19:21.27.26|
BDBM50098186 CCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:16:17:3:21.27.26,THB:22:21:3:17.18.19,2:3:17.18.19:21.27.26|
BDBM50002178 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](CCCCNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50002349 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](Cc1ccc(O)cc1)N(CC=C)CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50038408 CC1(C)SSC[C@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
BDBM50038409 CC1(C)SSC[C@H](NC(=O)[C@@H]2Cc3ccc(O)cc3CN2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
BDBM50034607 CCCCCCCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
BDBM50034608 Oc1cccc(c1)C12CCN(Cc3ccccc3)C(Cc3[nH]c4ccccc4c13)C2
BDBM50034609 CCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
BDBM50034610 CCCCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
BDBM50076498 COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3C)c2c1O)[nH]c1ccccc51
BDBM50009674 NCCCC(=O)NCCN(CCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN)C(=O)CCCN
BDBM50189918 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(Cc2nc3ccccc3[nH]2)C1=O
BDBM50189920 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O |r|
BDBM50189921 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)Nc2ccccc2)C1=O
BDBM50002310 CCCN(CCc1ccccc1)CCc1cccc(O)c1
BDBM50001054 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](I)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
BDBM50001055 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](F)CC[C@@]35O |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
BDBM50000651 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]1C(O)=O
BDBM50000652 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccc(F)c2)C(=O)N[C@@H]1C(O)=O
BDBM50000653 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(O)=O
BDBM50000654 CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
BDBM50000655 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
BDBM50000656 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2F)C(=O)N[C@@H]1C(O)=O
BDBM50000657 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H]1C(O)=O
BDBM50000658 Cc1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
BDBM50000659 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(O)=O
BDBM50016455 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC[C@@H]4NC(=O)CNC(=O)CNC(C)=O)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
BDBM50016456 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)N[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |THB:41:49:32:47.45.46,37:36:32:47.45.46|
BDBM50016457 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC[C@@H]4NC(C)=O)ccc5O |TLB:21:9:12:1.3.2,7:8:12:1.3.2|
BDBM50096716 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
BDBM50096719 CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
BDBM50096720 CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50059829 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)NC(C)(C)C
BDBM50059830 CCCCN(CC)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50059831 COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N(C)C
BDBM50059832 COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCC1
BDBM50059833 CCNC(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
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,)|
BDBM50018779 CN(CCc1cccs1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
BDBM50018780 CN([C@@H]1CCCC[C@H]1N1CCCCC1)C(=O)Cc1cccc2sccc12
BDBM50016458 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)NCC(=O)NCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50016459 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
BDBM50129748 COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C2)(C13)C(=O)OCCN(C)C |TLB:3:4:20.21:8.7,13:12:22:21.7.6,23:20:8.7:4.5,19:11:22:21.7.6,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5,THB:12:20:8.7:4.5,5:6:22:12.11.10.9|
BDBM50114010 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)Cc1ccccc1
BDBM50248990 Cc1ccc(\C=C\C(=O)O[C@]23CCC(=O)[C@@H]4Oc5c6c(C[C@H]2N(CC2CC2)CC[C@@]346)ccc5O)cc1 |r|
BDBM50007355 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50129749 COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C2)(C13)C(=O)OC |TLB:13:12:22:21.7.6,3:4:20.21:8.7,23:20:8.7:4.5,19:11:22:21.7.6,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5,THB:12:20:8.7:4.5,5:6:22:12.11.10.9|
BDBM50105474 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3Cc2ccco2)c1 |THB:17:16:8:4.5.6|
BDBM50038015 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([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]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#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@@H](-[#6])-[#6]-[#6]
BDBM50038016 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([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]-[#16]-[#6]-[#6]-[#16]C([#6])([#6])[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#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@@H](-[#6])-[#6]-[#6]
BDBM50076499 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O
BDBM50076500 CCN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@@]2(O)[C@H]1Cc1ccc(OC)c(O)c31
BDBM50076501 COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O
BDBM50128404 C[C@H]1C2Cc3ccc(NC(C)=O)cc3[C@@]1(C)CCN2CC1CC1 |TLB:19:18:1:13.4.3,12:13:1:18.16.17|
BDBM50128405 CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(NC=O)cc21 |TLB:6:5:13.23.15:11,14:13:11:5.3.4,THB:22:23:11:5.3.4|
BDBM50174200 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1
BDBM50128406 C[C@@H]1C2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1 |TLB:18:17:1:12.4.3,11:12:1:17.15.16|
BDBM50128407 C[C@H]1C2Cc3ccc(NC=O)cc3[C@@]1(C)CCN2CC1CC1 |TLB:0:1:12.4.3:17.15.16,18:17:1:12.4.3,11:12:1:17.15.16|
BDBM50179190 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(O)=O
BDBM50179191 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
BDBM50179192 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1C
BDBM50179193 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC1CC1
BDBM50200610 CCC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
BDBM50076007 COc1ccc2C[C@H]3N(C)CCC45[C@@H](Oc1c24)[C@@]1(CCC35C[C@@H]1[C@](C)(O)C(C)C)OC |THB:9:8:20:16.5.6|
BDBM50128408 CC1[C@H]2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1 |TLB:18:17:1:12.4.3|
BDBM50128409 C[C@H]1C2Cc3ccc(NC(=O)c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
BDBM50128410 Nc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
BDBM50128411 NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
BDBM50007357 CN(C(CN1CCCC1)c1ccccc1O)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007358 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)CCc1ccccc1
BDBM50007375 CN(C(CN1CCCC1)c1ccc(O)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50059367 CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)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
BDBM50001786 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50007157 FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCCC2)cc1
BDBM50007158 Clc1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1Cl
BDBM50007159 Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCC2)cc1Cl
BDBM50274519 CN([C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:8.24.7:17.19.18|
BDBM50007351 CN(CC=C)C[C@@H](N(C)C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1
BDBM50007352 COc1ccc(cc1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007353 CCN(CC)C[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007354 CCC[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007344 CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50271453 CC(C)C[C@@H]1CN2[C@@H](C[NH+]=C2N1CCCC1CCCCC1)C1CCCCC1 |r,c:9|
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
BDBM50070946 CC1CN(C)CCC11COc2c1cccc2O
BDBM50070947 CCC1Oc2c(cccc2O)C11CCN(C)CC1
BDBM50008845 CN([C@H](CN1CCCC1)C(C)(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50120406 C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1C[C@@]1(C(=O)Nc1ccccc1)c1ccccc1 |TLB:9:10:1:15.13.14,THB:16:15:1:10.4.3|
BDBM50034241 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50034242 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50034243 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50195666 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
BDBM50172014 Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O |w:19.19|
BDBM50172015 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O
BDBM50130617 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C
BDBM50130619 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C
BDBM50070948 CC1Oc2c(cccc2O)C11CCN(C)CC1
BDBM50070949 CN1CCC2(COc3c2cccc3O)CC1
BDBM50013955 CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc2ccccc2c1
BDBM50138005 OC(=O)c1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50138006 Oc1ccc2C(=O)[C@H]3NCC[C@@]4(CCCC[C@@H]34)c2c1
BDBM50138007 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C(N)=O
BDBM50138008 Nc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50138009 Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3Cc3ccc4ccccc4c3)c2c1
BDBM50138010 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc31
BDBM50138011 Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCc3ccccc3)c2c1
BDBM50138012 COc1ccc2C(=O)[C@H]3NCC[C@@]4(CCCC[C@@H]34)c2c1
BDBM50138013 NC(=O)c1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50008983 CCC(=O)N(c1ccccc1)C1(CCN(CCN2C(=O)c3ccccc3C2=O)CC1)C(=O)OC
BDBM50008984 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50123277 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(CNc2ccccc2)cc1C[C@@]35O
BDBM50123278 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)C#N
BDBM50123279 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-n1cccc1
BDBM50123280 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)[N+]([O-])=O
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|
BDBM50000650 CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(O)=O
BDBM50001456 CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50002350 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](Cc1ccc(O)cc1)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50002182 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](CCCCN)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(N)=O
BDBM50016867 NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50123658 C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2cccc(F)c2)[C@@H](C)CN1CC=C
BDBM50018723 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50018724 CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
BDBM50018725 CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCCC(C)C
BDBM50018726 CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50018727 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
BDBM50000287 Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl
BDBM50018722 CC(C)CC(C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50006946 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
BDBM50006947 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O |TLB:3:4:29:7.13.12,17:18:29:7.13.12|
BDBM50016454 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |THB:45:44:40:55.53.54,49:57:40:55.53.54|
BDBM50007359 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1cccc(Cl)c1
BDBM50007360 CN(C(CN1CCCC1)C(C)(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007361 C[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007362 CN(C(CN1CCCC1)c1cccc(O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007363 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)CSc1ccccc1
BDBM50007364 CNc1cccc(c1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007365 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)cc1
BDBM50007366 CC(C)[C@@H](CN1CCCC1)NC(=O)Cc1ccccc1
BDBM50007367 CC(C)[C@@H](CN1CCCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007368 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50007369 CN(C(CN1CCCC1)c1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007370 COc1cccc(c1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007371 CN([C@@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007372 CC(C)[C@@H](CN(C)C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007373 CSc1ccc(cc1)C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007374 CCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50002183 CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)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(N)=O
BDBM50002184 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(N)=O
BDBM50001457 CC(C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
BDBM50001458 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50016086 Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)C(N(CC5CC5)CCC314)C2=O |TLB:14:13:5.24.4:16.22.21,6:5:13:16.22.21,THB:25:24:13:16.22.21|
BDBM50105490 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2ccccc2)c1 |THB:17:16:8:4.5.6|
BDBM50105491 Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CC=C)c1 |THB:17:16:8:4.5.6|
BDBM50007346 CN(C(CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50271584 CCCC1CNC2=[N+]1CC(Cc1ccc(OC)cc1)N2CC1CCC1 |c:6|
BDBM50125999 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
BDBM50126000 Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O
BDBM50126001 N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
BDBM50126002 Cc1cccc(C)c1C[C@@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O
BDBM50038405 CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
BDBM50037130 O[C@@H]1CC[C@@H]2CN(CC3CC3)CC[C@]22[C@H]1Oc1c2cccc1O
BDBM50037131 O[C@H]1CC[C@H]2CN(CC3CC3)CC[C@]22[C@H]1Oc1c2cccc1O
BDBM50037132 COc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@]213
BDBM50037133 CN1CC[C@@]23[C@@H](Oc4c2cccc4O)C(=O)CC[C@H]3C1
BDBM50037134 Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
BDBM50037135 Oc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@]213
BDBM50037136 Oc1cccc2c1O[C@H]1C(=O)CC[C@@H]3CN(CC4CC4)CC[C@]213
BDBM50037137 COc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3CN(CC4CC4)CC[C@]213
BDBM50138014 Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50138015 Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCF)c2c1
BDBM50138016 NCc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50138017 O=C1[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC2CCC2)c2cc(ccc12)C#N
BDBM50138018 C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)-c1nnn[nH]1
BDBM50038406 CC1(C)SSC[C@H](NC(=O)[C@@]2(N)Cc3ccc(O)cc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
BDBM50123271 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(Br)cc1C[C@@]35O
BDBM50123272 CCOC(=O)c1cnc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c1)ccc4O
BDBM50123273 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncccc1C[C@@]35O
BDBM50092998 CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:22:21:29:17.18.19,16:17:29:21.27.26,30:29:17.18.19:21.27.26|
BDBM50137986 Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCCF)c2c1
BDBM50137987 O=C1[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC2CCC2)c2cc(ccc12)-c1nnn[nH]1
BDBM50137988 CN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc31
BDBM50137989 Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1
BDBM50137990 Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50137991 O=C1[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC#C)c2cc(OCC#C)ccc12
BDBM50137992 COCCN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc31
BDBM50137993 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)-c1nnn[nH]1
BDBM50016847 COc1cccc2CC3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |TLB:5:6:22:9.15.14,2:25:22:9.15.14|
BDBM50018719 CC(C)CCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50018720 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O
BDBM50018721 CC(C)CC(C)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50026752 CCOC(=O)C1(CCN(C)CC1)c1ccccc1
BDBM50140917 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:28:9:12:1.3.2|
BDBM50199861 Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50199862 Oc1ccc(C[C@H](NCC=C)C(=O)NCCCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)cc1
BDBM50199863 Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50077065 CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(CC=C)CC1)c1cccc(OC)c1
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|
BDBM50008851 CC(C(=O)N(C)[C@H]1CCCC[C@@H]1N1CCCC1)c1cccc2sccc12
BDBM50008852 CC1C(C(=O)N(C)[C@H]2CCC3(CCCO3)C[C@@H]2N2CCNC2)c2cccc3cccc1c23
BDBM50009678 NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
BDBM50008856 CC1C(C(=O)N(C)[C@H]2CCC3(CCCO3)C[C@@H]2N2CCCC2)c2cccc3cccc1c23
BDBM50008857 CN([C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2ccccc12
BDBM50008858 CN([C@H]1CCC2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1cccc2occc12
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|
BDBM50018631 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](CCc2ccccc2)NC1=O)C(N)=O
BDBM50002347 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](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50001459 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50001460 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50001461 CC(C)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCNC(=O)CC[C@@H](NC(=O)[C@H](NC1=O)C(C)C)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50001462 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50051593 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](Cc1ccc(O)cc1)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
BDBM50051594 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)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50059828 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCC1
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
BDBM50033536 CCC(=O)N([C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
BDBM50033537 CCC(=O)N([C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C)c1ccccc1
BDBM50084254 CCN(CC)C(=O)c1ccc(cc1)C(NCCN(C)C)c1cccc(OC)c1
BDBM50059827 CCN(C)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50038293 Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)OCC(=O)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.44,31.36,35.40,wD:29.45,TLB:26:28:34:31.36.32,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,30:29:34:31.36.32,30:31:29.28.37:34,21:22:18.4.5:7.13.12,8:7:22:18.4.5,(4.96,-10.23,;3.61,-9.46,;2.28,-10.23,;.94,-9.46,;.94,-7.89,;-.38,-7.15,;-.38,-5.61,;-1.73,-5.25,;-3.04,-4.5,;-3.06,-2.96,;-2.3,-1.62,;-3.85,-1.62,;-.63,-6.35,;.72,-5.61,;2.26,-5.61,;3.71,-5.15,;4.61,-6.37,;3.61,-7.89,;2.28,-7.14,;5.32,-4.45,;3.81,-4.06,;2.49,-4.84,;.94,-4.86,;.53,-3.36,;6.64,-3.68,;7.98,-4.42,;9.5,-3.9,;10.14,-5.19,;10.58,-2.78,;12.04,-2.28,;13.49,-2.78,;14.44,-1.45,;14.38,.1,;12.94,.6,;11.62,.05,;11.71,-1.43,;13.06,-1.87,;11.96,-.69,)|
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
BDBM50000771 CN(CCN1CCCC1)CCc1cc(Cl)c(Cl)cc1I
BDBM50000780 CN([C@H]1CCCC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50000781 CN([C@H]1C[C@]2(CC(=C)C(=O)O2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000782 CN([C@H]1CC2(CC[C@@H]1N1CCCC1)OCCO2)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50000784 CN([C@H]1CCC2(C[C@@H]1N1CCCC1)OCCO2)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50036140 OC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67 |TLB:29:28:10:33.14.13,19:33:10:28.26.27,11:10:33.14.13:28.26.27,THB:9:10:33.14.13:28.26.27|
BDBM50036135 NC(=N)NCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:19:18:41.22.21:36.34.35,37:36:18:41.22.21,27:41:18:36.34.35,THB:17:18:41.22.21:36.34.35|
BDBM50036136 NCCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:35:34:16:39.20.19,25:39:16:34.32.33,17:16:39.20.19:34.32.33,THB:15:16:39.20.19:34.32.33|
BDBM50036137 OC(=O)C[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:16:15:38.19.18:33.31.32,24:38:15:33.31.32,34:33:15:38.19.18,THB:14:15:38.19.18:33.31.32|
BDBM50036138 NCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:34:33:15:38.19.18,24:38:15:33.31.32,16:15:38.19.18:33.31.32,THB:14:15:38.19.18:33.31.32|
BDBM50200598 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)C)c2=O)C(C)C)c1 |w:9.8|
BDBM50200599 COC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21|
BDBM50200600 COCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:17.18|
BDBM50069561 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)c1ccccc1
BDBM50069562 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H]([C@H](C)c1ccccc1)C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)c1ccccc1
BDBM50069563 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50164447 NC(CCS(O)(=O)=O)C(O)=O
BDBM50007379 COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)C(C)C)cc1
BDBM50007380 CN(C(CN1CCCC1)c1cccc(c1)C#N)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007381 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(cc1)[N+]([O-])=O
BDBM50027808 CC[C@@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
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
BDBM50080452 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50080453 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50080454 CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50080455 CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50000772 FCCCN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1
BDBM50000788 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
BDBM50000789 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CC(=C)C(=O)O1
BDBM50000790 COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
BDBM50098196 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
BDBM50098197 CCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4OC |TLB:17:18:4:22.28.27,THB:23:22:4:18.19.20,3:4:18.19.20:22.28.27|
BDBM50098198 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35NC=O)c2ccccc2n1CCCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
BDBM50098199 CCCn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:13:12:20:8.9.10,THB:7:8:20:12.18.17,21:20:8.9.10:12.18.17|
BDBM50098200 COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NCCF |TLB:9:8:30:19.5.6,31:30:19.5.6:8.14.13,THB:18:19:30:8.14.13|
BDBM50098201 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35NC=O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
BDBM50098202 CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4n(CCCF)c2ccccc12)ccc5O |TLB:13:12:8.9.10:1.3.2,0:1:12:8.9.10,THB:7:8:12:1.3.2|
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
BDBM50017062 CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1cccc(Br)c1
BDBM50017063 CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1ccc(Br)cc1
BDBM50017064 CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(C)cc1
BDBM50017065 CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50017066 COc1ccc(cc1)C(=O)N[C@H]1CCCC[C@@]11CCCN1C
BDBM50017067 CN1CCC[C@@]11CCCC[C@@H]1NC(=O)CCc1ccccc1
BDBM50017068 CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50017069 CN1CCC[C@@]11CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1
BDBM50017070 CC(C)CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)cc1
BDBM50017071 CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)cc1
BDBM50017072 CN1CCC[C@@]11CCCC[C@@H]1N(CC1CC1)C(=O)c1ccc(Br)cc1
BDBM50017073 CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1ccc(F)cc1
BDBM50017074 CN1CCC[C@@]11CCCC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50049560 N[C@]1(CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C1=N[C@]2(CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)C(=O)N1 |t:31,TLB:46:45:30:50.34.33,20:19:4:24.8.7|
BDBM50049561 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)NC(=O)NC1=O
BDBM50049563 NC1=NC(=N[C@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)[C@]1(N)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45 |c:3,t:1,TLB:24:23:8:28.12.11,49:48:33:53.37.36|
BDBM50049564 NC(=N)[C@]1(N)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
BDBM50050509 COc1ccc2[nH]c3CC4CC(CCN4C)(c3c2c1)c1cccc(O)c1
BDBM50130611 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C
BDBM50130612 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1
BDBM50130613 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
BDBM50007377 CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007378 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)COc1ccccc1
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
BDBM50001685 [H][C@]1(NCC[C@@H]1c1ccc(O)cc1)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
BDBM50018716 CCN(C(C)CC(C)C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50018717 CC(C)C[C@@H](N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50018718 CC(C)CC(C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50018777 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)COc1ccccc1
BDBM50018778 CN(CCc1ccccc1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12
BDBM50018775 CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)CCc1c[nH]c2ccccc12
BDBM50018776 CN([C@@H]1CCCC[C@H]1N1CCCCCC1)C(=O)COc1cc(Cl)cc(Cl)c1
BDBM50017059 CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)c(Br)c1
BDBM50009180 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50059581 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](Cc1ccc(O)cc1)N(CC1CC1)CC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50009181 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(O)=O
BDBM50009182 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(N)=O
BDBM50017058 CN1CCC[C@@]11CCCC[C@@H]1NC(=O)c1ccccc1Br
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|
BDBM50008843 C[C@@H]([C@H](C)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50008844 C[C@@H]([C@@H](C)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50056627 Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccc2ccccc2c1 |w:25.31,THB:8:7:23:18.4.5|
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
BDBM50056548 CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(F)c1
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|
BDBM50013853 CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(cc2)N=[N+]=[N-])CC1)C(=O)OC
BDBM50013854 CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=[N+]=[N-])cc1
BDBM50013856 CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(N=[N+]=[N-])c(I)c2)CC1)C(=O)OC
BDBM50194244 Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
BDBM50007098 [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1C[C@H]1CCC(=O)O1)[C@H]2C |r,THB:8:9:22:14.12.13,15:14:22:9.3.2|
BDBM50007102 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3|
BDBM50001107 Oc1cccc2C(CN3CCCC3)N(CCc12)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50001108 Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
BDBM50010701 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]1CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
BDBM50013857 CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)c1ccc(cc1)[N+]#N |TLB:14:25:5:20.18.19,10:9:5:20.18.19,THB:4:5:25.9.8:20.18.19|
BDBM50001703 COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
BDBM50310077 COc1ccc2cc(ccc2c1)C(C)CCN(C)Cc1ccccc1
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
BDBM50040128 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50040129 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1
BDBM50040130 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)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|
BDBM50202108 CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50202109 CCCC[C@@H](NC(=O)[C@@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50202110 CCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50202111 CCCC[C@@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50040124 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
BDBM50040125 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]1CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
BDBM50040126 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50040127 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50098676 CC(C)CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:28:13:16:5.7.6,11:12:16:5.7.6|
BDBM50098677 CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
BDBM50098678 CC(C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
BDBM50098679 CC(C)=CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |wU:16.19,wD:8.12,9.9,TLB:28:13:16:5.7.6,11:12:16:5.7.6,(18.49,-4.11,;16.98,-3.92,;16.37,-2.5,;16.05,-5.14,;14.51,-4.95,;13.58,-6.19,;12.27,-6.96,;12.11,-9.25,;13.2,-10.34,;13.97,-11.68,;11.98,-12.74,;10.89,-11.66,;11.66,-10.34,;10.89,-9.02,;11.66,-7.7,;13.2,-7.7,;13.97,-9.02,;14.74,-7.68,;15.51,-9.02,;16.28,-10.33,;15.51,-11.68,;16.53,-12.83,;17.95,-12.19,;19.36,-12.83,;20.61,-11.91,;20.45,-10.36,;19.04,-9.75,;17.78,-10.65,;9.38,-9.02,;8.61,-10.33,;9.38,-11.66,;8.61,-12.99,)|
BDBM50098680 CCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:25:10:13:2.4.3,8:9:13:2.4.3|
BDBM50098681 CCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
BDBM50172017 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O
BDBM50202107 CCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50268462 O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r|
BDBM50200611 COc1ccc(C)c(OC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)C(C)C)c1
BDBM50274482 CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.24.8:17.19.18,THB:6:5:9.24.8:17.19.18|
BDBM50297296 CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297297 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)c1nc2ccccc2[nH]1 |r,w:31.33|
BDBM50297298 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:10.11,27.29,wD:23.26,(16.14,-49.27,;16.14,-50.81,;14.79,-51.6,;14.8,-53.16,;13.46,-53.93,;16.15,-53.92,;17.48,-53.13,;18.82,-53.9,;17.47,-51.59,;18.8,-50.82,;20.14,-51.59,;20.14,-53.13,;21.47,-50.82,;21.47,-49.28,;22.81,-51.59,;22.81,-53.13,;24.14,-53.89,;24.14,-55.44,;25.48,-56.21,;26.8,-55.44,;26.8,-53.89,;25.48,-53.13,;25.48,-51.59,;24.13,-50.81,;24.13,-49.27,;22.8,-48.5,;25.46,-48.5,;25.46,-46.96,;24.13,-46.19,;22.8,-46.96,;21.47,-46.19,;20.14,-46.96,;18.81,-46.19,;18.81,-44.65,;17.47,-46.96,;26.8,-46.19,;26.8,-44.65,;28.14,-46.96,;28.3,-48.5,;29.8,-48.82,;30.59,-50.14,;32.12,-50.14,;32.88,-48.81,;32.12,-47.47,;30.58,-47.49,;29.55,-46.34,)|
BDBM50297299 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297300 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297301 CC(=O)OC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297302 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CO)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297303 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)c1nc2ccccc2[nH]1 |r|
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|
BDBM50038422 C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1c(C)cc(O)cc1C
BDBM50038424 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)N)C(C)C)C(=O)NCC(N)=O
BDBM50297286 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297287 C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297288 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297289 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297290 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297291 CC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297292 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2[nH]1 |r,wU:41.44,52.55,63.67,wD:10.11,23.26,27.29,(11.09,-21.91,;9.76,-21.14,;8.41,-21.88,;7.06,-21.1,;5.73,-21.87,;7.08,-19.57,;8.43,-18.8,;8.43,-17.26,;9.76,-19.57,;11.09,-18.8,;11.09,-17.26,;9.76,-16.49,;12.42,-16.49,;12.42,-14.95,;13.76,-17.26,;13.72,-18.82,;15.07,-19.6,;15.07,-21.13,;16.4,-21.9,;17.73,-21.13,;17.73,-19.6,;16.4,-18.84,;16.4,-17.3,;15.08,-16.53,;15.08,-14.99,;13.75,-14.22,;16.42,-14.22,;16.42,-12.68,;17.75,-11.91,;19.09,-12.68,;20.42,-11.91,;20.42,-10.37,;21.77,-12.68,;21.76,-14.23,;23.09,-15,;20.43,-14.99,;19.09,-14.22,;17.75,-14.99,;15.08,-11.91,;15.08,-10.37,;13.75,-12.68,;12.42,-11.91,;12.42,-10.37,;13.75,-9.6,;13.75,-8.06,;15.08,-7.29,;15.08,-5.75,;16.42,-4.98,;13.75,-4.98,;11.08,-12.68,;11.08,-14.22,;9.75,-11.91,;8.41,-12.68,;8.41,-14.22,;7.08,-14.99,;7.08,-16.54,;5.73,-17.31,;4.38,-16.54,;4.38,-14.99,;5.73,-14.21,;7.08,-11.91,;5.74,-12.68,;7.08,-10.37,;5.74,-9.6,;4.41,-10.37,;4.41,-11.91,;3.08,-12.68,;3.08,-14.22,;1.74,-14.99,;5.74,-8.06,;4.41,-7.29,;7.08,-7.29,;8.49,-7.91,;9.52,-6.77,;11.06,-6.78,;11.83,-5.45,;11.06,-4.11,;9.53,-4.11,;8.76,-5.44,;7.24,-5.75,)|
BDBM50297293 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50297294 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50064524 C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCCC1
BDBM50064525 C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(O)c1
BDBM50064526 C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC1
BDBM50033143 [#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](-[#7])=O
BDBM50108918 C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
BDBM50248968 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
BDBM50248969 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccc(Cl)cc1 |r|
BDBM50064520 C[C@H]1CN(Cc2cc3ccccc3s2)CC[C@@]1(C)c1cccc(O)c1
BDBM50064521 C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50064523 C[C@H]1CN(C\C=C/c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50183557 CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O
BDBM50188193 CCNC[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(CC)C[C@H](Cc1ccc(O)cc1)N(CC)C[C@@H](N)Cc1ccc(O)cc1
BDBM50076003 CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5OC3C4(CCN1CC1CC1)c25 |TLB:27:26:7:31.15.14,20:31:7:26.24.25,THB:6:7:31.15.14:26.24.25|
BDBM50183552 CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O
BDBM50183553 CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
BDBM50183554 CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)|
BDBM50183555 CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
BDBM50183556 CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O
BDBM50188203 CNC[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C
BDBM50188205 N[C@H](CN(Cc1ccccc1)[C@H](CN(Cc1ccccc1)[C@H](CN1CCC[C@H]1CNCc1ccccc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
BDBM50166354 C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50121644 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(N)=O)C(O)=O
BDBM50121645 C[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
BDBM50297295 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r|
BDBM50108919 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCc1nc2ccccc2[nH]1
BDBM50064515 C[C@H]1CN(C\C=C\c2ccccc2C)CC[C@@]1(C)c1cccc(O)c1
BDBM50064516 C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC(O)C1
BDBM50064517 C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC(O)(C1)c1ccccc1
BDBM50036267 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(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50131966 COc1cccc2N(C)C(CCNC(=O)c3cccs3)CN=C(c3ccccc3)c12 |t:22|
BDBM50131968 CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15|
BDBM50280346 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50277471 OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:21:20:5:15.9.8|
BDBM50040482 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35O)Oc2ccccc2O1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
BDBM50040487 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C1(Cc2ccccc2C1)C[C@@]35O |TLB:17:18:31:7.13.12,3:4:31:7.13.12|
BDBM50272169 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
BDBM50098682 CCCCCCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:30:15:18:7.9.8,13:14:18:7.9.8|
BDBM50098683 CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
BDBM50040132 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50040133 CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50040134 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@]([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]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6]2=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)[#6@@H](-[#6])-[#6]-[#6]
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|
BDBM50068132 CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
BDBM50068133 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
BDBM50252857 C[C@@H](Cc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)(C)SSC1(C)C |r|
BDBM50252858 C[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)(C)SSC1(C)C |r|
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|
BDBM50068136 Oc1cccc(c1)C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50179186 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1Cc1ccccc1
BDBM50045733 C[C@H]1CN(CCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045734 C[C@H]1CN(CCc2ccccc2C)CC[C@@]1(C)c1cccc(O)c1
BDBM50051170 CC[C@@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)C[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1
BDBM50051171 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
BDBM50051172 CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@@H](NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
BDBM50179187 CCOC(=O)Cn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc2ccccc12
BDBM50179188 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC(N)=O
BDBM50179189 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1CC=C
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|
BDBM50095150 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50068648 C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
BDBM50068651 C[C@H]1[C@@H](N(Cc2ccccc12)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50068652 C[C@@H]1[C@@H](N(Cc2ccccc12)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50040131 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]1CSSC[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O
BDBM50084243 CCN(CC)C(=O)c1ccc(cc1)C(OCCN(C)C)c1cccc(OC)c1
BDBM50084244 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1
BDBM50084246 CCN(CC)C(=O)c1ccc(cc1)C(C1CCN(CC=C)CC1)c1cccc(OC)c1
BDBM50084247 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1
BDBM50084248 CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
BDBM50084249 CCN(CC)C(=O)c1ccc(cc1)C(N1CCCCC1)c1ccccc1
BDBM50084250 CCN(CC)C(=O)c1ccc(cc1)C(C1CCN(C)CC1)c1cccc(OC)c1
BDBM50084252 CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50040187 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(C)(C)NC(=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(N)=O
BDBM50040188 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)C1CCC(CC1)NC(=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(N)=O |wU:4.4,98.101,106.109,38.38,19.19,wD:85.89,71.73,89.92,30.30,58.61,8.8,2.2,(17.35,.41,;17.35,-.83,;18.68,-1.6,;19.75,-.98,;18.68,-3.14,;17.34,-3.9,;16.01,-3.13,;16.01,-1.9,;14.67,-3.89,;14.66,-5.43,;13.33,-6.2,;13.32,-7.74,;11.98,-8.5,;11.97,-10.04,;10.9,-10.66,;13.03,-10.66,;13.34,-3.12,;12,-3.88,;12,-5.12,;10.67,-3.11,;10.67,-1.57,;9.34,-.8,;9.34,.74,;8.01,1.52,;8.01,3.06,;6.95,3.68,;9.08,3.67,;9.33,-3.88,;8,-3.1,;8,-1.87,;6.66,-3.87,;6.66,-5.41,;5.32,-6.17,;4.25,-5.55,;5.31,-7.4,;5.33,-3.09,;4,-3.86,;3.99,-5.09,;2.66,-3.08,;2.67,-1.54,;4,-.77,;4,.77,;5.34,1.54,;6.67,.76,;6.66,-.78,;5.33,-1.54,;1.33,-3.85,;-.01,-3.07,;-0,-1.84,;-1.34,-3.84,;-2.68,-3.07,;-4.01,-3.83,;-4.01,-5.37,;-2.68,-6.15,;-1.35,-5.38,;-5.35,-6.14,;-5.35,-7.69,;-4.28,-8.3,;-6.68,-8.46,;-7.75,-7.84,;-6.68,-10,;-8.01,-10.77,;-8.02,-12.31,;-9.35,-13.08,;-10.69,-12.3,;-11.75,-12.92,;-10.68,-10.76,;-9.35,-10,;20.01,-3.91,;20.01,-5.15,;21.35,-3.15,;22.68,-3.92,;22.67,-5.46,;21.33,-6.22,;21.32,-7.77,;19.99,-8.53,;19.98,-10.07,;18.91,-10.68,;21.04,-10.69,;24.02,-3.16,;24.02,-1.92,;25.35,-3.93,;25.48,-5.45,;26.99,-5.78,;27.76,-4.45,;26.74,-3.3,;27.05,-1.8,;28.22,-1.41,;25.9,-.77,;26.22,.74,;27.68,1.22,;28.83,.19,;30.3,.67,;31.44,-.36,;32.61,.03,;25.07,1.77,;23.9,1.38,;25.38,3.28,;24.23,4.3,;22.77,3.82,;22.46,2.31,;21.29,1.92,;23.38,1.49,;24.55,5.8,;25.71,6.19,;23.4,6.83,;23.71,8.34,;22.56,9.37,;22.87,10.88,;21.73,11.91,;22.04,13.41,;21.12,14.23,;25.17,8.83,;26.09,8.01,;25.42,10.04,)|
BDBM50245093 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCn1c23 |r|
BDBM50163910 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCN[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
BDBM50264407 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
BDBM50206643 CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)[C@H](C)c1c(C)cc(O)cc1C)c1ccccc1
BDBM50252859 [#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](-[#6])-[#6]-c1c(-[#6])cc(cc1-[#6])-[#6](-[#7])=O)-[#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 |r|
BDBM50252860 [#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](-[#6])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#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 |r|
BDBM50154035 Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50154036 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
BDBM50045753 CC(CCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)c1ccccc1
BDBM50045754 C[C@H]1CN(CCCc2ccco2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045755 C[C@H]1CN(CCOc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045756 C[C@H]1CN(CCCOc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045757 C[C@H]1CN(CC2CCCO2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045758 C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50154039 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c(Br)[nH]1)-c1ccccc1
BDBM50154037 Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50291970 C[C@@H]1CN(C\C=C\c2ccccc2)CC[C@]1(C)c1cccc(O)c1
BDBM50291971 CC(C)C[C@@H](CN1CCC(C)(C(C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
BDBM50291972 CC1CN(C[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)cc2)CCC1(C)c1cccc(O)c1
BDBM50291973 CCC(C)[C@@H](CN1CCC(C)(C(C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
BDBM50291974 CC1CN(C[C@@H](NC(=O)CCc2ccc(O)cc2)C2CCCCC2)CCC1(C)c1cccc(O)c1
BDBM50151753 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
BDBM50040483 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)[C@@H](Cc1ccccc1)C[C@@]35O |TLB:3:4:30:7.13.12,17:18:30:7.13.12|
BDBM50040484 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12|
BDBM50105771 COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:28:27:19.5.6:8.14.13,THB:9:8:27:19.5.6,18:19:27:8.14.13|
BDBM50105772 CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:16:15:11.12.13:4.6.5,THB:3:4:15:11.12.13,10:11:15:4.6.5|
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|
BDBM50045748 C[C@H]1CN(CCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045749 C[C@H]1CN(CCC(O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045750 C[C@H]1CN(CCCc2cccc(C)c2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045751 C[C@H]1CN(CC2CC2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045752 C[C@H]1CN(CCCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045759 C[C@H]1CN(CCCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045760 C[C@H]1CN(Cc2ccoc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045761 C[C@H]1CN(CC(O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045762 C[C@H]1CN(CCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045767 C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045735 C[C@H]1CN(CCC(O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045736 C[C@H]1CN(CCc2cccc(F)c2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045737 C[C@H]1CN(CCCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045738 CCCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
BDBM50045739 C[C@H]1CN(CCc2cccc(C)c2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045740 C[C@H]1CN(CCc2ccc(C)cc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045741 C[C@H]1CN(CCC(=O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045742 C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045743 C[C@@H]1CN(CCCc2cccs2)CC[C@]1(C)c1cccc(O)c1
BDBM50045744 CCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
BDBM50045745 C[C@H]1CN(CCc2ccncc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045746 C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045747 C[C@H]1CN(CCC(=O)c2cccs2)CC[C@@]1(C)c1cccc(O)c1
BDBM50040485 Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31,TLB:17:18:23:7.13.12,3:4:23:7.13.12|
BDBM50154041 Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50154042 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1
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
BDBM50048580 CCCN(c1ccncc1)n1ccc2ccccc12
BDBM50212620 Cc1ccccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50212621 Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)c1
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
BDBM50034591 Oc1cccc(c1)C12CCN(CC=C)C(Cc3[nH]c4ccccc4c13)C2
BDBM50034592 CCCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
BDBM50034593 CN1CCC2(CC1Cc1[nH]c3ccc4ccccc4c3c21)c1cccc(O)c1
BDBM50034594 Oc1cccc(c1)C12CCNC(Cc3[nH]c4ccccc4c13)C2
BDBM50034595 CCCCCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
BDBM50034596 CN1CCC2(C[C@@H](CC1C2)NC(=O)Cc1ccccc1)c1cccc(O)c1
BDBM50034597 CN1CCC2(CC1c1c(C2)[nH]c2ccccc12)c1cccc(O)c1
BDBM50034598 Oc1cccc(c1)C12CCN(CCc3ccccc3)C(Cc3[nH]c4ccccc4c13)C2
BDBM50034601 Oc1cccc(c1)C12CCN(CC3CC3)C(Cc3[nH]c4ccccc4c13)C2
BDBM50034602 CN1CCC2(C[C@@H](CC1C2)NC(=O)c1ccccc1)c1cccc(O)c1
BDBM50034603 CN1CCC2(CC1CC(C2)=NNc1ccccc1)c1cccc(O)c1 |w:10.12|
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|
BDBM50212608 Cc1ccccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50212609 Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50212610 Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)c1
BDBM50212611 Cc1cc(C)cc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
BDBM50212612 Cc1cc(O)ccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50212613 Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50212614 CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50212615 CCc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50212616 Cc1cc(C)cc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
BDBM50212617 CCc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50212618 CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50193597 Cc1cc(cc(C)c1CCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O)C(N)=O
BDBM50193598 Cc1cc(O)cc(C)c1CCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
BDBM50261727 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCCn1c23 |r|
BDBM50194487 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O
BDBM50194488 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
BDBM50140897 COc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:4:5:8:23.21.22|
BDBM50140898 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Br)cc1)ccc5O |TLB:27:9:12:1.3.2|
BDBM50140899 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cccnc41)ccc5O |TLB:21:9:12:1.3.2|
BDBM50310292 CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@@]11OCC[C@]41c23 |r|
BDBM50310293 CN(CC1CC1)[C@@H]1Cc2ccc(O)c3OCC[C@@]4(CC(=O)CC[C@@]14O)c23 |r|
BDBM50310294 CC[C@@]12[C@H]3Oc4c1c(C[C@@H](NCC1CC1)[C@]2(O)CCC3=O)ccc4O |r|
BDBM50310295 CC[C@@]12[C@H]3Oc4c1c(C[C@@H](N(C)CC1CC1)[C@]2(O)CCC3=O)ccc4O |r|
BDBM50310296 CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@]1(O)[C@@]4(C=C)c23 |r|
BDBM50310297 Oc1ccc2C[C@@H](NCC3CC3)[C@]3(O)CCC(=O)[C@@H]4Oc1c2[C@]34C=C |r|
BDBM50310298 CN(CC1CC1)C1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@]1(O)[C@@]4(CCn1ccnn1)c23 |r|
BDBM50034604 CN1CCC2(CC1Cc1[nH]c3c(ccc4ccccc34)c21)c1cccc(O)c1
BDBM50034605 CN1CCC2(CC1c1cc3ccccc3nc1C2)c1cccc(O)c1
BDBM50034606 CCCCCCN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
BDBM50201411 COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-7.63,-41.49,;-7.63,-43.03,;-6.29,-43.8,;-4.96,-43.03,;-3.63,-43.8,;-3.64,-45.33,;-2.3,-46.1,;-2.3,-47.64,;-3.64,-48.41,;-3.64,-49.95,;-4.97,-50.72,;-2.3,-50.72,;-.97,-48.41,;-.97,-49.96,;.37,-47.65,;.53,-46.12,;2.04,-45.81,;2.8,-47.14,;1.77,-48.28,;2.08,-49.79,;.93,-50.82,;3.54,-50.28,;4.7,-49.26,;6.16,-49.75,;6.46,-51.26,;7.31,-48.73,;8.77,-49.22,;9.92,-48.2,;9.62,-46.69,;10.65,-45.56,;9.9,-44.22,;8.39,-44.53,;7.17,-43.62,;5.76,-44.22,;5.59,-45.75,;6.81,-46.66,;8.21,-46.05,;9.08,-50.73,;7.92,-51.75,;10.54,-51.22,;11.69,-50.2,;11.38,-48.69,;12.54,-47.67,;13.99,-48.16,;15.15,-47.14,;14.84,-45.63,;13.37,-45.14,;12.22,-46.17,;13.15,-50.69,;13.46,-52.2,;14.31,-49.67,;-4.96,-46.11,;-6.29,-45.34,)|
BDBM50201412 COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.1,6.43,;-3.1,4.89,;-1.77,4.12,;-.43,4.89,;.9,4.12,;.89,2.59,;2.22,1.81,;2.22,.27,;.89,-.49,;.89,-2.03,;-.44,-2.8,;2.22,-2.81,;3.56,-.5,;3.56,-2.04,;4.89,.27,;5.05,1.8,;6.56,2.11,;7.33,.78,;6.29,-.37,;6.61,-1.87,;5.46,-2.9,;8.07,-2.36,;8.38,-3.87,;7.22,-4.89,;7.53,-6.4,;8.99,-6.89,;8.76,-8.57,;7.25,-8.86,;6.48,-10.18,;4.96,-10.17,;4.2,-8.84,;4.98,-7.52,;6.5,-7.53,;9.84,-4.36,;10.99,-3.34,;10.14,-5.87,;11.6,-6.36,;12.76,-5.34,;14.22,-5.83,;14.52,-7.34,;15.98,-7.83,;17.13,-6.81,;18.59,-7.29,;16.82,-5.29,;15.36,-4.81,;11.91,-7.87,;10.76,-8.89,;13.37,-8.36,;-.43,1.81,;-1.76,2.58,)|
BDBM50101612 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCc1ccccc1
BDBM50163909 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50178762 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
BDBM50178763 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
BDBM50178764 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
BDBM50178765 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
BDBM50200613 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8|
BDBM50200614 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)(=O)=O)c2=O)C(C)C)c1 |w:9.8|
BDBM50262557 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCn1c23 |r|
BDBM50045768 CCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
BDBM50045769 C[C@H]1CN(CCc2cccc3ccccc23)CC[C@@]1(C)c1cccc(O)c1
BDBM50045770 CCCCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
BDBM50045771 C[C@H]1CN(CCc2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1
BDBM50045772 C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1
BDBM50045773 C[C@H]1CN(CCCc2ccccc2C)CC[C@@]1(C)c1cccc(O)c1
BDBM50045774 C[C@H]1CN(CCc2ccc(Cl)c(Cl)c2)CC[C@@]1(C)c1cccc(O)c1
BDBM50038009 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([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](-[#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)C([#6])([#6])[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
BDBM50038010 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([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](-[#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)C([#6])([#6])[#16]-[#6]-[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)[#6@@H](-[#6])-[#6]-[#6]
BDBM50090991 CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCCNC(N)=N |TLB:22:21:31.25.24:16.18.17|
BDBM50090992 CCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:30:29:39.33.32:24.26.25|
BDBM50090993 CCCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:34:33:43.37.36:28.30.29|
BDBM50090994 CCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:36:35:45.39.38:30.32.31|
BDBM50271307 CC(C)C[C@@H]1CN2[C@H](C[NH+]=C2N1CCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 |r,c:9,TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
BDBM50271308 C(CC12CC3CC(CC(C3)C1)C2)N1[C@H](CN2[C@H](C[NH+]=C12)C1CCCCC1)C1CCCCC1 |r,t:21,TLB:1:2:5.4.9:7,THB:3:4:7:11.2.10,3:2:5.4.9:7,10:2:5:9.8.7,10:8:5:11.3.2|
BDBM50271309 COc1ccc(C[C@H]2CN3[C@@H](C)C[NH+]=C3N2CCC23CC4CC(CC(C4)C2)C3)cc1 |r,c:13,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
BDBM50277470 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@H]5CC[C@@]34O5)c2c1 |r,THB:8:7:21:23.4.5|
BDBM50166212 CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(CCc1ccccc1)CC[C@@]235)ccc4O |THB:11:12:3:16.26.25,28:13:3:16.26.25|
BDBM50137994 NC(=O)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50137995 O=C1[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC2CCC2)c2cc(OCC3CCC3)ccc12
BDBM50137996 NC(=O)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
BDBM50137997 Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
BDBM50137998 O=C(Nc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccccc1
BDBM50137999 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(cc31)C#N
BDBM50138000 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(CN)cc31
BDBM50138001 N#Cc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
BDBM50138002 [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6][C@]23[#6]-[#6]-[#6]-[#6]-[#6@H]2-[#6@H]-1-[#6](=O)-c1ccc(-[#8])cc31
BDBM50138003 Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
BDBM50138004 Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
BDBM50271582 CCCCC1CNC2=[N+]1CC(Cc1ccc(OC)cc1)N2CCC1CC2CCC1C2 |c:7,THB:22:23:29:27.26|
BDBM50271583 COc1ccc(CC2C[N+]3=C(NCC3CC3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 |t:9,TLB:23:24:27.26.31:29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
BDBM50140902 COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncccc1C[C@@]35O |TLB:4:5:24:8.11.10|
BDBM50140903 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccccc1)ccc5O |TLB:27:9:12:1.3.2|
BDBM50140905 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccccc1)ccc5O |TLB:26:9:12:1.3.2|
BDBM50140906 CN([C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50140908 COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccccc1 |TLB:4:5:24:8.11.10|
BDBM50140909 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)c(Cl)c1)ccc5O |TLB:28:9:12:1.3.2|
BDBM50140910 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cccnc41)ccc5O |TLB:20:9:12:1.3.2|
BDBM50140911 Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:3:4:25:7.12.11|
BDBM50007345 COc1ccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c(OC)c1
BDBM50140912 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccc(Br)cc1)ccc5O |TLB:28:9:12:1.3.2|
BDBM50140913 Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21|
BDBM50140914 COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:4:5:24:8.11.10|
BDBM50140916 COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Br)cc1 |TLB:4:5:24:8.11.10|
BDBM50000267 CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
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
BDBM50166348 C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50178759 CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C
BDBM50178760 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
BDBM50178761 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
BDBM50210187 CCCCN1CC2CCC(O)C1CN2Cc1ccccc1 |w:6.6,11.12,9.9,TLB:3:4:13.12:7.8.9,THB:14:13:7.8.9:5.4,TEB:10:9:13.12:5.4|
BDBM50210191 C(Cc1ccccc1)N1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1 |w:22.25,13.14,10.11,TLB:0:8:24.23:11.12.13,THB:25:24:11.12.13:9.8,TEB:14:13:24.23:9.8|
BDBM50210192 COC1(CCC2CN(C)C1CN2Cc1ccccc1)OC |w:5.4,9.10,TLB:12:11:4.3.2:6.7,8:7:11.10:4.3.2|
BDBM50210193 CCCCN1CC2CCC(OC)C1CN2Cc1ccccc1 |w:6.6,12.13,9.9,TLB:3:4:14.13:7.8.9,THB:15:14:7.8.9:5.4,TEB:10:9:14.13:5.4|
BDBM50045113 CCCOC(=O)[C@@]1(CC1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:9:10:15:25.19.18|
BDBM50045114 CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3|
BDBM50045115 COC(=O)[C@@]1(C[C@H]1CN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:7:8:13:23.17.16|
BDBM50009187 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50009189 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
BDBM50009190 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50009191 C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50009192 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(N)=O
BDBM50009193 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|
BDBM50018714 CC(C)C[C@H](N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCO
BDBM50018715 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O
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|
BDBM50097578 C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(N)=O |TLB: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|
BDBM50097580 [H][C@]12Cc3ccc(cc3[C@@](C)(CCN1CC1CC1)[C@H]2C)C(N)=O |THB:7:8:18:13.11.12,14:13:18:8.3.2|
BDBM50097581 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C#N |TLB:15:14:1:9.4.3,8:9:1:14.12.13|
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|
BDBM50210181 CCCCN1CC2CCC(OCc3ccccc3)C1CN2Cc1ccccc1 |w:18.20,9.9,6.6,TLB:3:4:20.19:7.8.9,THB:21:20:7.8.9:5.4,TEB:10:9:20.19:5.4|
BDBM50210182 COC1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:16.18,2.1,5.4,TLB:19:18:4.3.2:6.7,8:7:18.17:4.3.2,TEB:1:2:18.17:6.7|
BDBM50041144 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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,)|
BDBM50271581 CCOc1ccc(CC2C[N+]3=C(NCC3CC)N2CCC2CC3CCC2C3)cc1 |t:10,THB:19:20:26:24.23|
BDBM50166351 C[C@H](N[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
BDBM50140900 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)cc1Cl)ccc5O |TLB:28:9:12:1.3.2|
BDBM50140901 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O |TLB:27:9:12:1.3.2|
BDBM50203826 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
BDBM50154040 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1
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
BDBM50059841 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50207188 CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1
BDBM50207189 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
BDBM50207190 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
BDBM50207191 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)c1nc2ccccc2[nH]1
BDBM50207192 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)NCc1ccccc1
BDBM50207193 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](N)C(=O)Nc1ccccc1
BDBM50207194 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
BDBM50207195 CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
BDBM50207196 CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1
BDBM50001463 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCC(N)=O
BDBM50097582 COC(=O)c1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:22:21:10:16.14.15,17:16:10:21.7.8|
BDBM50097583 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50097584 C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(O)=O |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50097585 CNC(=O)c1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:22:21:10:16.14.15,17:16:10:21.7.8|
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|
BDBM50007338 CC(C)[C@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007339 CCCN([C@H](CN1CCCC1)C(C)C)C(=O)Cc1ccccc1
BDBM50007340 CN([C@H](CN1CC=CC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |c:6|
BDBM50007341 COc1ccccc1C(CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007342 CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(cc1)C#N
BDBM50007343 CC(C)[C@@H](CN(C)Cc1ccccc1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50001716 COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](O)CC[C@@]35O
BDBM50002346 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
BDBM50001040 [H][C@@]12Cc3ccc(O)cc3[C@@](C)(CN1CC1CC1)[C@@H]2C |r,TLB:19:18:12.13:9.3.2|
BDBM50210183 O[C@@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,4.3,TLB:0:1:17.16:5.6,18:17:3.2.1:5.6,7:6:17.16:3.2.1|
BDBM50210184 O[C@H]1CCC2CN(CCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,4.3,TLB:0:1:17.16:5.6,18:17:3.2.1:5.6,7:6:17.16:3.2.1|
BDBM50210185 CN1CC2CC[C@@H](OCc3ccccc3)C1CN2Cc1ccccc1 |w:15.17,3.3,TLB:7:6:17.16:2.1,0:1:17.16:4.5.6,THB:18:17:4.5.6:2.1|
BDBM50210186 CO[C@@H]1CCC2CN(C)C1CN2Cc1ccccc1 |w:5.4,9.10,TLB:1:2:11.10:6.7,12:11:4.3.2:6.7,8:7:11.10:4.3.2|
BDBM50007382 CC(C)[C@@H](CN(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50007383 CC(C)C[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50001709 O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
BDBM50001710 COC(=O)C(=C)COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
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|
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|
BDBM50123993 COc1cccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)c1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
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|
BDBM50123995 COc1ccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:20:19:13:24.10.11,25:24:13:19.17.18|
BDBM50123996 C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
BDBM50123997 C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
BDBM50123998 COc1ccccc1Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:22:21:15:26.12.13,27:26:15:21.19.20|
BDBM50091010 CC(C)CC(NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCNC(N)=N |TLB:18:17:27.21.20:12.14.13|
BDBM50091012 CCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:31:30:40.34.33:25.27.26|
BDBM50091013 CCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:33:32:42.36.35:27.29.28|
BDBM50091014 CCCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:36:35:45.39.38:30.32.31|
BDBM50091015 CCCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:33:32:42.36.35:27.29.28|
BDBM50091016 CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCNC(N)=N |TLB:22:21:31.25.24:16.18.17|
BDBM50091017 CCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:34:33:43.37.36:28.30.29|
BDBM50091018 CCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:36:35:45.39.38:30.32.31|
BDBM50091000 CCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:33:32:42.36.35:27.29.28|
BDBM50091001 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)OC |TLB:37:38:43:53.47.46,THB:52:53:43:38.40.39|
BDBM50091002 CCCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:38:37:47.41.40:32.34.33|
BDBM50091003 CCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:31:30:40.34.33:25.27.26|
BDBM50091004 CCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:35:34:44.38.37:29.31.30|
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|
BDBM50041572 NC(=N)NCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)C3(CCN6CC1CC1)c78)ccc5O |THB:42:41:23:46.27.26|
BDBM50041573 CCCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
BDBM50090999 CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCN |TLB:22:21:31.25.24:16.18.17|
BDBM50050477 CN(C)C1CCC2(C)CC1(CO)Cc1ccc(O)cc21 |TLB:1:3:8:19.13.12,THB:18:19:8:3.4.5|
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|
BDBM50091011 CCCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:35:34:44.38.37:29.31.30|
BDBM50200618 COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)=O)c2=O)C(C)C)c1 |w:9.8|
BDBM50084239 CCN(CC)C(=O)c1ccc(cc1)C(N1CCOCC1)c1ccccc1
BDBM50084241 CCN(CC)C(=O)c1ccc(cc1)C(N(C)CCN(C)C)c1cccc(OC)c1
BDBM50084242 CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1cccc(OC)c1
BDBM50201414 COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.45,-11.1,;-3.45,-12.64,;-2.12,-13.41,;-.78,-12.64,;.55,-13.41,;.54,-14.95,;1.87,-15.72,;1.87,-17.26,;.54,-18.03,;.54,-19.57,;-.79,-20.34,;1.87,-20.34,;3.21,-18.03,;3.21,-19.57,;4.54,-17.26,;4.7,-15.73,;6.21,-15.42,;6.98,-16.76,;5.94,-17.9,;6.26,-19.4,;5.11,-20.44,;7.72,-19.89,;8.03,-21.4,;6.87,-22.42,;7.18,-23.93,;8.64,-24.42,;8.41,-26.1,;6.9,-26.4,;6.13,-27.71,;4.61,-27.7,;3.85,-26.37,;4.63,-25.05,;6.15,-25.07,;9.49,-21.89,;10.64,-20.87,;9.79,-23.4,;11.25,-23.89,;12.41,-22.87,;13.87,-23.36,;14.17,-24.87,;15.63,-25.36,;16.78,-24.34,;16.47,-22.82,;15.01,-22.34,;11.56,-25.4,;10.41,-26.43,;13.02,-25.89,;-.78,-15.72,;-2.11,-14.96,)|
BDBM50124008 C[C@H]1C2Cc3ccc(Nc4ccc(Cl)c(Cl)c4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
BDBM50221985 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCN |w:23.26|
BDBM50221986 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |w:23.26|
BDBM50076010 CC1C2CC34CCC2(OC1(C)C)C1Oc2c5c(CC3N(C)CCC415)ccc2O |TLB:5:4:15.16.17:19.22.21,14:15:4:19.22.21,20:19:4:15.16.17|
BDBM50076011 C[C@H]1CO[C@@]23CCC4(C[C@@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11|
BDBM50064518 C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1
BDBM50087063 CC[C@H](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@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O
BDBM50087064 CC[C@H](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@@]1(N)CCc2cc(O)ccc2C1)[C@@H](C)CC)C(=O)NCC(N)=O
BDBM50271540 C(CC1CCCCC1)CN1[C@H](CN2[C@@H](C[NH+]=C12)C1CCCCC1)C1CCCCC1 |r,t:16|
BDBM50271541 C(CC12CC3CC(CC(C3)C1)C2)N1[C@H](CN2[C@@H](C[NH+]=C12)C1CCCCC1)C1CCCCC1 |r,t:21,TLB:1:2:5.4.9:7,THB:3:4:7:11.2.10,3:2:5.4.9:7,10:2:5:9.8.7,10:8:5:11.3.2|
BDBM50252861 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 |r|
BDBM50252862 Cc1cc(O)cc(C)c1CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)NC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |r|
BDBM50271635 CC(C)CC1C[N+]2=C(NCC2C)N1CCCC1CCCCC1 |t:6|
BDBM50271636 CC(C)C1C[N+]2=C(NCC2C)N1CCCCC1CCCCC1 |t:5|
BDBM50271637 CC1C[N+]2=C(NCC2C)N1CCC12CC3CC(CC(C3)C1)C2 |t:3,TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,11:12:15:19.18.17,20:12:15:19.18.17,20:18:15:21.13.12|
BDBM50212619 Cc1cc(O)ccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50287927 Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |THB:8:7:22:18.4.5|
BDBM50287928 Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccc(Cl)cc1 |THB:8:7:22:18.4.5|
BDBM50287929 Cc1ccc(\C=C\C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)cc1 |TLB:29:28:13:33.17.16|
BDBM50261726 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCCn1c23 |r|
BDBM50252863 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
BDBM50252864 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
BDBM50281811 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(O)=O |TLB:39:40:44:37.38.43,THB:41:40:37:44.42.43,41:42:37:45.40.39,39:38:44:45.40.41|
BDBM50274401 CN([C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
BDBM50264867 CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |r|
BDBM50182946 Cc1cc(cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
BDBM50182947 N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
BDBM50178754 CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@H](Cc2c(C)cc(O)cc2C)N(C)C)nc1C
BDBM50178755 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCc1[nH]c(=O)c(CNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
BDBM50178756 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
BDBM50178757 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1nc(C)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O
BDBM50178758 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
BDBM50049806 CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15|
BDBM50059821 CCC(CC)NC(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
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,)|
BDBM50262556 CCn1c2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc2c2cccc(C)c12)ccc4OC |r|
BDBM50320084 Oc1ccc2C[C@@H](NCC3CC3)[C@@H]3CCC(=O)[C@@H]4Oc1c2[C@H]34 |r|
BDBM50320085 CN(C)[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@@H]([C@H]1CCC4=O)c23 |r|
BDBM50320086 CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@@H]([C@H]1CCC4=O)c23 |r|
BDBM50320087 CN[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@H](c23)[C@@]1(O)CCC4=O |r|
BDBM50320088 Oc1ccc2C[C@@H](NCC3CC3)[C@]3(O)CCC(=O)[C@@H]4Oc1c2[C@H]34 |r|
BDBM50320089 CN(C)[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@H](c23)[C@@]1(O)CCC4=O |r|
BDBM50320090 CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@H](c23)[C@@]1(O)CCC4=O |r|
BDBM50320083 CN[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@@H]([C@H]1CCC4=O)c23 |r|
BDBM50320091 Oc1ccc2C[C@H]3N(CC4CC4)CCO[C@]33CCC(=O)[C@@H]4Oc1c2[C@H]34 |r|
BDBM50320092 CN1CCO[C@@]23CCC(=O)[C@@H]4Oc5c([C@H]24)c(C[C@@H]13)ccc5O |r|
BDBM50320093 Oc1ccc2C[C@H]3N4CCO[C@]33CCC(=O)[C@@H]5Oc1c2[C@]35CC4 |r,TLB:19:20:6:10.8.9,THB:16:20:6:10.8.9|
BDBM50311475 CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wD:19.20,22.27,(27.93,-11.32,;26.39,-11.32,;25.62,-12.66,;26.39,-13.99,;24.08,-12.66,;23.31,-13.99,;23.64,-15.49,;24.98,-16.26,;24.98,-17.81,;23.65,-18.58,;22.31,-17.81,;22.32,-16.26,;21.17,-15.25,;19.85,-16.03,;18.51,-15.26,;17.19,-16.03,;17.19,-17.57,;18.53,-18.34,;19.86,-17.56,;15.86,-18.35,;15.87,-19.89,;14.53,-20.66,;13.19,-19.89,;13.2,-18.35,;14.52,-17.58,;11.86,-20.66,;10.53,-19.89,;11.86,-22.2,;21.78,-13.84,;21.01,-12.52,)|
BDBM50280456 CC(C)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O
BDBM50312854 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |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|
BDBM50314880 [#6]-[#6]-[#6](=O)-[#7](-[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
BDBM50314881 [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
BDBM50314883 CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
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|
BDBM50254563 CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(cc21)C(N)=O |TLB:14:13:11:5.4.3,6:5:11:15.20.13,THB:19:20:11:5.4.3|
BDBM50254564 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5C(N)=O |r,c:16|
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|
BDBM50320022 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
BDBM50320023 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N\C(=C/c1ccccc1)C(N)=O |r|
BDBM50320024 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50312859 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC\C=C\CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
BDBM50312860 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN(CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
BDBM50312861 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCN(CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)CCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
BDBM50281663 CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11|
BDBM50266060 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r|
BDBM50312855 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCCNC(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](N)Cc3c(C)cc(O)cc3C)C2=O)C1=O |r|
BDBM50261791 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2c4CCCCc4ccc2c1C[C@@]35O |r|
BDBM50271634 COc1ccc(CC2C[N+]3=C(NCC3C(C)C)N2CC2CCCC2)cc1 |t:9|
BDBM50240679 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CO
BDBM50271633 COc1ccc(CC2C[N+]3=C(NCC3CC3CCCCC3)N2CC2CCCC2)cc1 |t:9|
BDBM50295260 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50295261 N[C@@H](Cc1ccc(O)cc1)C(=O)NC(=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50295262 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC=C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,c:15|
BDBM50295263 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50295264 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50205830 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
BDBM50205831 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
BDBM50205832 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
BDBM50205833 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
BDBM50205834 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |w:15.15|
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|
BDBM50316622 COC(=O)N1CCN([C@@H](C1)[C@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50123999 C[C@H]1C2Cc3ccc(Nc4ccc(cc4)C(C)(C)C)cc3[C@@]1(C)CCN2CC1CC1 |TLB:26:25:1:20.4.3,19:20:1:25.23.24|
BDBM50124000 [H][C@@]12Cc3ccc(N)cc3[C@](C)(CCN1CC1CC1)[C@@H]2C |THB:15:14:19:9.3.2,8:9:19:14.12.13|
BDBM50124001 C[C@H]1C2Cc3ccc(NCc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
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|
BDBM50124003 COc1ccc(CNc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
BDBM50051175 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCCNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
BDBM50133261 C[C@@H]([C@@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
BDBM50133264 C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
BDBM50051173 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=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
BDBM50051174 CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
BDBM50128413 O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4NC=O
BDBM50166065 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166066 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50050478 CN(C)C1CCC2(C)CC1(C)Cc1ccc(O)cc21 |TLB:1:3:8:18.12.11,THB:17:18:8:3.4.5|
BDBM50050479 CN1CNC2CCC3(C)CC2(C1)Cc1ccc(O)cc31 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5|
BDBM50050480 CNC1CCC2(C)CC1(CO)Cc1ccc(O)cc21 |TLB:1:2:7:18.12.11,THB:17:18:7:2.4.3|
BDBM50050481 CNCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
BDBM50050482 COCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4|
BDBM50050483 CN1CC23Cc4ccc(O)cc4C(C)(CCC12)C3 |THB:1:16:17:11.5.4,10:11:17:16.15.14|
BDBM50050484 CC12CCC(N)C(CO)(Cc3ccc(O)cc13)C2 |THB:15:16:17:4.2.3,5:4:17:16.10.9|
BDBM50050485 COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCCN2C
BDBM50050486 COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCc1nnnn21
BDBM50131969 O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 |t:7|
BDBM50131971 CN(CCC1CN=C(c2ccccc2)c2ccccc2N1C)C(=O)c1cccs1 |t:6|
BDBM50245893 Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)OCN(CCc2ccccc2)C1=O |r,THB:21:22:4.18.5:7.12.13,23:22:4.18.5:7.12.13|
BDBM50245894 Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,TLB:8:7:29:5.31.4|
BDBM50050487 COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 |THB:17:16:20:11.5.4,10:11:20:16.15.14|
BDBM50049377 CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(CC1)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
BDBM50049378 CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(CCCCC1)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
BDBM50034599 CN1CCC2(CC1c1c(C2)[nH]c2c1ccc1ccccc21)c1cccc(O)c1
BDBM50034600 CN1CCC2(CC1Cc1[nH]c3ccccc3c21)c1cccc(O)c1
BDBM50248793 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
BDBM50121648 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1nc2ccccc2[nH]1)C(O)=O
BDBM50121649 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCc1nc2ccccc2n1C(O)=O
BDBM50121650 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50266025 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
BDBM50266026 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O |r|
BDBM50264406 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |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|
BDBM50124005 C[C@H]1C2Cc3ccc(Nc4ccc(cc4)N(C)C)cc3[C@@]1(C)CCN2CC1CC1 |TLB:25:24:1:19.4.3,18:19:1:24.22.23|
BDBM50124006 [#6]-[#6@H]1-[#6]-2-[#6]-c3ccc(cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]-[#6]-1-[#6]-[#6]-1)\[#7]=[#6](\c1ccccc1)-c1ccccc1 |TLB:15:14:1:9.4.3,8:9:1:14.12.13|
BDBM50124007 [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(Nc4ccccc4)cc32)CCCO1 |TLB:2:3:8:25.13.12,THB:24:25:8:3.5.4|
BDBM50297169 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(C[C@@]34O)Nc3ccccc3C5=O)c2c1 |r,THB:8:7:18:29.4.5|
BDBM50297170 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O
BDBM50266056 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CNC1=O |r|
BDBM50266057 CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CNC1=O |r|
BDBM50266058 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r|
BDBM50266062 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2c(CN(CC(O)=O)C1=O)[nH]c1ccccc21 |r|
BDBM50163908 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50102811 CCCCN1CCN(C(C1)[C@@H](C)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
BDBM50102813 C[C@@H](C1CN(CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1)N1CCCC1
BDBM50102814 C[C@H](C1CN(CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1)N1CCCC1
BDBM50201413 COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-5.41,-29.95,;-5.41,-31.49,;-4.08,-32.26,;-2.74,-31.49,;-1.41,-32.26,;-1.42,-33.8,;-.09,-34.57,;-.09,-36.11,;-1.42,-36.88,;-1.42,-38.42,;-2.75,-39.19,;-.09,-39.19,;1.25,-36.88,;1.25,-38.42,;2.58,-36.11,;2.74,-34.59,;4.25,-34.27,;5.02,-35.61,;3.98,-36.75,;4.3,-38.26,;3.15,-39.29,;5.76,-38.75,;6.91,-37.73,;8.37,-38.22,;8.68,-39.73,;9.53,-37.2,;10.99,-37.69,;12.14,-36.67,;11.83,-35.16,;12.87,-34.02,;12.11,-32.68,;10.61,-33,;9.38,-32.08,;7.98,-32.69,;7.8,-34.22,;9.03,-35.13,;10.43,-34.52,;11.29,-39.19,;10.14,-40.21,;12.75,-39.68,;13.91,-38.66,;13.6,-37.15,;14.75,-36.13,;16.21,-36.63,;17.36,-35.61,;17.06,-34.1,;18.21,-33.08,;15.59,-33.61,;14.44,-34.63,;15.37,-39.15,;15.68,-40.66,;16.53,-38.13,;-2.74,-34.57,;-4.07,-33.81,)|
BDBM50091006 CCCC(=N)NCCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:37:36:46.40.39:31.33.32|
BDBM50091007 CC(C)CC(NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCCN |TLB:18:17:27.21.20:12.14.13|
BDBM50091008 CC(C)CC(NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCCNC(N)=N |TLB:18:17:27.21.20:12.14.13|
BDBM50091009 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]1(C[C@@H]1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)OC |TLB:33:34:39:49.43.42,THB:48:49:39:34.36.35|
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|
BDBM50082339 CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)CC1C)c1ccccc1
BDBM50082341 CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@H]1C)c1ccccc1
BDBM50176702 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
BDBM50176703 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
BDBM50034245 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50034246 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50034247 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50034250 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50183558 CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O
BDBM50183559 CCCC[C@H](N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O
BDBM50182939 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
BDBM50045763 C[C@H]1CN(Cc2ccco2)CC[C@@]1(C)c1cccc(O)c1
BDBM50045764 COc1ccccc1CCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
BDBM50045765 C[C@H]1CN(CC=C)CC[C@@]1(C)c1cccc(O)c1
BDBM50045766 C[C@H]1CN(CC(O)Cc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
BDBM50090987 CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCNC(N)=N |TLB:22:21:31.25.24:16.18.17|
BDBM50090988 CCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:35:34:44.38.37:29.31.30|
BDBM50090989 CC(C)CC(NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCCCNC(N)=N |TLB:18:17:27.21.20:12.14.13|
BDBM50090990 CCCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:37:36:46.40.39:31.33.32|
BDBM50090995 CCCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:32:31:41.35.34:26.28.27|
BDBM50090996 CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCNC(N)=N |TLB:22:21:31.25.24:16.18.17|
BDBM50090997 CCCC(=N)NCCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:32:31:41.35.34:26.28.27|
BDBM50090998 CC(C)CC(NC(=O)CNC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1)C(=O)NCCCN |TLB:22:21:31.25.24:16.18.17|
BDBM50060064 CN(C)[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
BDBM50060065 CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
BDBM50060068 CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
BDBM50060071 CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
BDBM50060072 CN[C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
BDBM50060073 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(N)=O
BDBM50060075 CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(O)=O
BDBM50060076 CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
BDBM50059818 CCCCN(CCCC)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50059819 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N(C)C
BDBM50059820 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(N)=O
BDBM50034244 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50049381 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCC1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50049382 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCCCC1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50038006 CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SCCSC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
BDBM50038007 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@]([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]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#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@@H](-[#6])-[#6]-[#6]
BDBM50038008 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)[C@@]([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]-[#16]-[#6]-[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#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@@H](-[#6])-[#6]-[#6]
BDBM50182942 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
BDBM50182943 Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
BDBM50182944 N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
BDBM50059824 CCCN(CCC)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50059810 COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(N)=O
BDBM50059811 CCNC(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50059812 COc1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCCCC1
BDBM50059813 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCCC1
BDBM50059814 CCCN(CCC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50059815 COc1cccc(c1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccc(cc1)C(=O)N1CCCCCC1
BDBM50059816 CCCCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50059817 CCN(C)C(=O)c1ccc(cc1)[C@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
BDBM50051176 CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(O)=O)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
BDBM50051177 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=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
BDBM50051178 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
BDBM50193596 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](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(cc1C)C(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50183551 CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O
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|
BDBM50123987 C[C@H]1C2Cc3ccc(Nc4ccncc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
BDBM50123988 C[C@H]1C2Cc3ccc(Nc4ccc(C)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
BDBM50123989 C[C@H]1C2Cc3ccc(Nc4ccccn4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
BDBM50123990 C[C@H]1C2Cc3ccc(Nc4ccc(cc4)C(F)(F)F)cc3[C@@]1(C)CCN2CC1CC1 |TLB:26:25:1:20.4.3,19:20:1:25.23.24|
BDBM50123991 C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc41 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
BDBM50221416 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
BDBM50221418 Cc1cccc(C)c1Cc1[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
BDBM50221419 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
BDBM50221420 Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1
BDBM50221421 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCc1nc(C)c(C)[nH]c1=O
BDBM50221422 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(C)[nH]c1=O
BDBM50221423 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O
BDBM50221424 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
BDBM50221425 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(C)nc1C
BDBM50221426 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1nc(C)c(C)[nH]c1=O
BDBM50221427 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)cnc1C
BDBM50221428 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(C)[nH]c1=O
BDBM50221429 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O
BDBM50292220 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50298876 CC(C)[C@H](CNCc1ccccc1)N1CCN(CCC2CCCC2)[C@@H](Cc2ccccc2)C1 |r|
BDBM50199867 CCCN(C(=O)[C@H](Cc1c(C)cc(O)cc1C)NCC=C)c1cnc(N(CCC)C(=O)[C@H](Cc2c(C)cc(O)cc2C)NCC=C)c(=O)[nH]1
BDBM50325526 Cn1c(C=CC(=O)CCc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,w:3.2|
BDBM50325527 Cn1c(C=CC(=O)Cc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,w:3.2|
BDBM50325528 Cn1c(\C=C\C(=O)c2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r|
BDBM50325529 Cc1occc1C(=O)C=Cc1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c2n1C)[C@]3(CCN4CC1CC1)c56 |r,w:9.10|
BDBM50325530 CCCCCC(=O)C=Cc1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c2n1C)[C@]3(CCN4CC1CC1)c56 |r,w:8.8|
BDBM50325531 Cn1c(CCC(=O)CCc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r|
BDBM50325532 Cn1c(\C=C\c2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r|
BDBM50325533 CCC\C=C\c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c2n1C)[C@]3(CCN4CC1CC1)c56 |r|
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
BDBM50098190 COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35N |TLB:9:8:30:19.5.6,31:30:19.5.6:8.14.13,THB:18:19:30:8.14.13|
BDBM50209645 OC(=O)CN1CCN(CCn2c3[C@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c3ccccc23)ccc5O)CCN(CC(O)=O)CCN(CC(O)=O)CC1
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|
BDBM50300356 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
BDBM50271499 CC(C)C[C@@H]1CN2[C@@H](C)C[NH+]=C2N1CCC12CC3CC(CC(C3)C1)C2 |r,c:10,TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15|
BDBM50271500 CC(C)C[C@@H]1CN2[C@H](C[NH+]=C2N1CCCC1CCCCC1)C1CCCCC1 |r,c:9|
BDBM50290872 CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r|
BDBM50098191 COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35NCCCF |TLB:9:8:30:19.5.6,31:30:19.5.6:8.14.13,THB:18:19:30:8.14.13|
BDBM50098192 CCn1c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CCC35[C@@]6(O)Cc2c2ccccc12)ccc4O |TLB:12:11:19:7.8.9,THB:6:7:19:11.17.16,20:19:7.8.9:11.17.16|
BDBM50098193 CCCN[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |TLB:17:18:4:22.28.27,THB:23:22:4:18.19.20,3:4:18.19.20:22.28.27|
BDBM50098194 CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4n(CCF)c2ccccc12)ccc5O |TLB:13:12:8.9.10:1.3.2,0:1:12:8.9.10,THB:7:8:12:1.3.2|
BDBM50098195 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1CCF |TLB:8:7:22:18.4.5,23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12|
BDBM50091005 CCCCC(=N)NCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:31:30:40.34.33:25.27.26|
BDBM50111903 C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
BDBM50111904 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50111905 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c(C)cccc1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
BDBM50323870 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 |r|
BDBM50295067 CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[C@@H]1O[C@H](CC)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM50295069 CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM50295070 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM50298860 CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCCC1CCCC1 |r|
BDBM50298861 CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCCC1CCCC1 |r|
BDBM50298862 CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCC1CCC(C)CC1 |r,wD:3.18,6.5,(27.78,-34.64,;26.45,-35.41,;25.12,-34.65,;23.78,-35.42,;23.79,-36.97,;22.46,-37.74,;22.47,-39.28,;23.81,-40.05,;23.82,-41.59,;25.15,-42.35,;21.14,-40.06,;19.8,-39.3,;19.8,-37.75,;18.47,-37,;17.14,-37.77,;15.79,-37.01,;17.14,-39.32,;18.48,-40.08,;22.45,-34.66,;22.45,-33.11,;21.1,-32.36,;21.08,-30.81,;19.74,-30.06,;18.4,-30.84,;17.07,-30.09,;18.42,-32.39,;19.77,-33.16,)|
BDBM50298863 CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCCC12CC3CC(CC(C3)C1)C2 |r,TLB:20:21:28:24.25.26,30:21:28:24.25.26,THB:30:25:22.21.29:28,26:25:22:29.27.28,26:27:22:24.30.25|
BDBM50298864 CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCCC1CC2CCC1C2 |r,TLB:20:21:25.24:27|
BDBM50300853 Cc1c(CC(O)=O)c2ccccc2n1C1CCN(Cc2ccccc2)CC1
BDBM50299557 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50299558 Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(N)=O |r|
BDBM50299559 N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50299560 N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50299561 N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
BDBM50299562 Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r|
BDBM50294426 Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c2c1 |r,THB:24:23:7:28.4.5|
BDBM50294427 CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:20:29.23.22|
BDBM50294428 CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:17:26.20.19|
BDBM50291697 O[C@]12Cc3c([nH]c4ccccc34)[C@H]3Oc4cccc5CC1N(CC1CC1)CC[C@@]23c45 |THB:17:18:1:21.27.26,14:29:1:21.27.26|
BDBM50290070 CN(C(CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |(8.59,-17.5,;8.59,-15.95,;9.92,-15.18,;11.25,-15.95,;12.59,-15.17,;12.75,-13.63,;14.26,-13.31,;15.03,-14.64,;14.01,-15.79,;9.92,-13.64,;8.59,-12.88,;8.58,-11.34,;9.92,-10.55,;11.25,-11.32,;12.59,-10.55,;12.59,-9.01,;11.25,-8.24,;13.92,-8.24,;13.92,-6.69,;12.59,-5.94,;12.58,-4.4,;13.92,-3.62,;15.25,-4.4,;15.25,-5.92,;16.8,-4.4,;17.57,-5.73,;17.57,-3.05,;13.92,-2.08,;12.59,-1.32,;11.27,-2.09,;9.94,-1.34,;9.92,.2,;8.59,.97,;11.25,.97,;12.58,.21,;13.91,1.01,;15.25,.23,;16.58,1,;17.89,.25,;19.23,1.02,;17.91,-1.29,;16.58,-2.07,;15.25,-1.29,;11.25,-12.87,;7.25,-15.18,;7.25,-13.64,;5.92,-15.95,;4.57,-15.18,;4.57,-13.64,;3.23,-12.87,;1.9,-13.64,;.57,-12.87,;1.9,-15.18,;.56,-15.95,;3.23,-15.95,)|
BDBM50290071 CN([C@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50290072 CN([C@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |wU:2.1,(9.81,-19.13,;9.81,-17.59,;11.14,-16.82,;12.48,-17.59,;13.81,-16.82,;13.97,-15.27,;15.48,-14.95,;16.25,-16.27,;15.23,-17.43,;11.14,-15.27,;9.81,-14.53,;9.81,-12.99,;11.14,-12.21,;12.48,-12.97,;13.81,-12.21,;13.81,-10.67,;12.48,-9.9,;15.14,-9.88,;15.14,-8.34,;13.81,-7.6,;13.8,-6.05,;15.14,-5.28,;16.48,-6.05,;16.48,-7.58,;18.02,-6.05,;18.78,-7.37,;18.78,-4.72,;15.14,-3.74,;13.81,-2.97,;12.49,-3.74,;11.16,-3,;11.14,-1.45,;9.81,-.7,;12.48,-.68,;13.8,-1.45,;15.14,-.66,;16.48,-1.43,;17.78,-.66,;19.11,-1.42,;20.43,-.65,;19.12,-2.96,;17.78,-3.72,;16.48,-2.96,;12.48,-14.52,;8.47,-16.82,;8.47,-15.27,;7.14,-17.6,;5.79,-16.83,;5.79,-15.27,;4.47,-14.51,;3.14,-15.3,;1.8,-14.51,;3.14,-16.83,;1.77,-17.6,;4.47,-17.6,)|
BDBM50290073 CN([C@@H](CN1CCCC1)c1cccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |wD:2.1,(1.43,-15.81,;1.43,-14.27,;2.77,-13.5,;4.1,-14.27,;5.43,-13.49,;5.6,-11.95,;7.11,-11.63,;7.88,-12.96,;6.85,-14.11,;2.77,-11.96,;1.43,-11.2,;1.43,-9.66,;2.77,-8.87,;4.1,-9.64,;5.43,-8.87,;5.43,-7.33,;4.1,-6.55,;6.77,-6.55,;6.77,-5.01,;5.43,-4.26,;5.42,-2.72,;6.77,-1.94,;8.1,-2.71,;8.1,-4.24,;9.64,-2.71,;10.41,-4.05,;10.41,-1.36,;6.77,-.4,;5.43,.37,;4.1,-.41,;2.78,.34,;2.77,1.89,;1.43,2.66,;4.1,2.66,;5.42,1.89,;6.76,2.69,;8.1,1.92,;9.42,2.68,;10.74,1.93,;12.07,2.7,;10.76,.39,;9.42,-.38,;8.1,.39,;4.1,-11.18,;.09,-13.5,;.09,-11.96,;-1.24,-14.27,;-2.59,-13.5,;-2.59,-11.96,;-3.92,-11.18,;-5.25,-11.96,;-6.59,-11.18,;-5.25,-13.5,;-6.59,-14.27,;-3.92,-14.27,)|
BDBM50290074 CN([C@@H](CN1CCCC1)c1cccc(N)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50290075 CN([C@@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50290076 CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
BDBM50324021 N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
BDBM50324022 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
BDBM50304490 CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50324023 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](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r|
BDBM50324024 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](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(F)cc(O)cc1F)C(C)C)C(=O)NCC(N)=O |r|
BDBM50304491 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=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)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM50304493 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
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|
BDBM50271771 COc1ccc(C[C@H]2CN3[C@H](C[NH+]=C3N2CCC23CC4CC(CC(C4)C2)C3)C2CCCCC2)cc1 |r,c:12,TLB:16:17:20.19.24:22,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|
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|
BDBM50290889 C[C@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r|
BDBM50290890 CC(C(NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1)c1c(C)cc(O)cc1C
BDBM50290891 C[C@@H]([C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r|
BDBM50290892 C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r|
BDBM50290894 C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r|
BDBM50209644 OC(=O)CN1CCN(CCCCCn2c3[C@H]4Oc5c6c(C[C@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c3ccccc23)ccc5O)CCN(CC(O)=O)CCN(CC(O)=O)CC1
BDBM50033137 [#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]-[#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](-[#7])=O |r|
BDBM50033139 [#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]-[#6]-[#7])-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
BDBM50205828 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |w:15.15|
BDBM50041663 CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O |r|
BDBM50298875 CC(C)[C@H](CNCc1ccccc1)N1CCN(CCC2CC3CCC2C3)[C@@H](Cc2ccccc2)C1 |r,TLB:18:19:23.22:25|
BDBM50298877 CC(C)[C@H](CNCc1ccccc1)N1CCN(CCc2ccccc2)[C@@H](C1)C(C)C |r|
BDBM50298878 CC(C)CCN1CCN(C[C@H]1C(C)C)[C@@H](CNCc1ccccc1)C(C)C |r|
BDBM50298879 CC(C)[C@H](CNCc1ccccc1)N1CCN(CCC2CC3CCC2C3)[C@@H](C1)C(C)C |r,TLB:18:19:23.22:25|
BDBM50298880 CC(C)[C@H](CNCc1ccccc1)N1CCN(CCC2CCCC2)[C@@H](C1)C(C)C |r|
BDBM50298881 CC(C)(C)CCN1CCN(C[C@@H]1Cc1ccc(O)cc1)[C@@H](CNCc1ccccc1)Cc1ccc(O)cc1 |r|
BDBM50261457 Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@]45C[C@H](CC[C@]34O)COc1c25 |r,TLB:8:7:4.24.5:19|
BDBM50041665 C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O |r|
BDBM50188208 N[C@H](CN(Cc1ccc2ccccc2c1)[C@H](CN(Cc1ccc2ccccc2c1)[C@H](CN1CCC[C@H]1CNCc1ccc2ccccc2c1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
BDBM50188210 CNC[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1
BDBM50252513 Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50298882 CCCC[C@H](CNCc1ccccc1)N1CCN(CC(C)C)[C@H](Cc2ccc(O)cc2)C1 |r|
BDBM50298883 CCCC[C@H](CNCc1ccccc1)N1CCN(CC2CCCCCC2)[C@H](Cc2ccc(O)cc2)C1 |r|
BDBM50298884 CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC2CCCCCC2)CC1 |r|
BDBM50298885 CNC[C@H](Cc1ccc(O)cc1)N1CCN(CCC2CC3CCC2C3)CC1 |r,TLB:17:18:22.21:24|
BDBM50298886 CNC[C@H](Cc1ccc(O)cc1)N1CCN(CCc2cccc(C)c2)[C@H](C1)C(C)C |r|
BDBM50298887 CNC[C@H](Cc1ccc(O)cc1)N1CCN(CCC2CC3CCC2C3)[C@H](C1)C(C)C |r,TLB:17:18:22.21:24|
BDBM50298888 CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCCC(C)C)CC1 |r|
BDBM50298889 CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC2CCCCCC2)CC1 |r|
BDBM50298890 CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCC2CC3CCC2C3)CC1 |r,TLB:17:18:22.21:24|
BDBM50298891 CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCc2cccc(C)c2)[C@H](C1)C(C)C |r|
BDBM50298892 CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCCC(C)C)[C@H](C1)C(C)C |r|
BDBM50298893 CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC2CCCCCC2)[C@H](C1)C(C)C |r|
BDBM50298894 CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCC2CC3CCC2C3)[C@H](C1)C(C)C |r,TLB:17:18:22.21:24|
BDBM50298895 CCC(C)[C@@H](CNC)N1CCN(CCCC2CCCCC2)[C@@H](C1)C(C)C |r|
BDBM50298896 CCC(C)[C@@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@@H](C1)C(C)C |r,TLB:13:14:21:17.18.19,23:14:21:17.18.19,THB:23:18:15.14.22:21,19:18:15:22.20.21,19:20:15:17.23.18|
BDBM50271869 COc1ccc(C[C@@H]2CN3[C@@H](C)C[NH+]=C3N2C(C)C23CC4CC(CC(C4)C2)C3)cc1 |r,c:13,TLB:16:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
BDBM50271870 CC(C)C[C@@H]1CN2[C@@H](C)C[NH+]=C2N1CC1CCC(C)CC1 |r,wU:4.3,wD:7.7,c:10,(14.63,-41.05,;13.09,-41.01,;12.35,-39.66,;12.29,-42.33,;10.74,-42.29,;9.86,-41.02,;8.39,-41.45,;6.92,-40.93,;6.49,-39.45,;5.98,-42.18,;6.85,-43.44,;8.34,-43.01,;9.8,-43.52,;10.24,-45,;9.18,-46.12,;7.69,-45.76,;6.63,-46.87,;7.07,-48.35,;6.01,-49.46,;8.57,-48.71,;9.63,-47.59,)|
BDBM50033141 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6]-[#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]-[#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](-[#7])=O
BDBM50295265 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50163911 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)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
BDBM50033142 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6]-[#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)-[#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
BDBM50148071 COc1cccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
BDBM50271542 CCOc1ccc(CC2C[N+]3=C(NCC3C)N2CCC23CC4CC(CC(C4)C2)C3)cc1 |t:10,TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
BDBM50271543 CCOc1ccc(CC2C[N+]3=C(NCC3C)N2CCC2CC3CCC2C3)cc1 |t:10,THB:18:19:25:23.22|
BDBM50106276 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
BDBM50149381 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50149384 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50316609 CCC(=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|
BDBM50316610 CCC(=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|
BDBM50316611 CCC(=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|
BDBM50316612 CCC(=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|
BDBM50316613 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|
BDBM50316614 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|
BDBM50298865 CCC[C@H](CN[C@H](CNC)Cc1ccc(O)cc1)NCC1CCCCCC1 |r|
BDBM50298866 CCC[C@H](CNC)NC[C@H](Cc1ccc(O)cc1)NCC1CCCCCC1 |r|
BDBM50298867 CCC[C@H](CNC)NC[C@H](Cc1ccc(O)cc1)NCC1CCC(C)CC1 |r,wU:9.18,3.6,(16.85,-5.87,;18.17,-5.09,;19.51,-5.85,;20.84,-5.08,;22.17,-5.84,;22.18,-7.38,;23.52,-8.14,;20.83,-3.53,;22.15,-2.77,;22.15,-1.22,;23.48,-.45,;24.81,-1.21,;24.81,-2.75,;26.15,-3.51,;27.48,-2.73,;28.82,-3.49,;27.47,-1.19,;26.14,-.43,;20.81,-.46,;20.81,1.08,;19.46,1.84,;19.45,3.39,;18.11,4.14,;16.78,3.36,;15.45,4.12,;16.8,1.82,;18.14,1.05,)|
BDBM50298868 CCC[C@H](CNC)NC[C@H](Cc1ccc(O)cc1)NCCC1CC2CCC1C2 |r,TLB:20:21:25.24:27|
BDBM50298869 CCC[C@H](CNC)NC[C@H](Cc1ccc(O)cc1)NCCC1CCCC1 |r|
BDBM50298870 CCC[C@H](CNC)NC[C@@H](CCC)NCC1CCCCCC1 |r|
BDBM50298871 CCC[C@H](CNC)NC[C@@H](CCC)NCC1CCC(C)CC1 |r,wU:3.6,wD:9.12,(19.25,-8.92,;20.57,-8.14,;21.91,-8.9,;23.24,-8.13,;24.57,-8.89,;24.58,-10.44,;25.92,-11.19,;23.23,-6.58,;24.56,-5.82,;24.55,-4.27,;25.88,-3.5,;27.22,-4.26,;28.55,-3.49,;23.21,-3.51,;23.22,-1.96,;21.87,-1.21,;21.85,.34,;20.51,1.09,;19.17,.31,;17.84,1.06,;19.19,-1.24,;20.54,-2.01,)|
BDBM50298872 CCC[C@H](CNC)NC[C@@H](CCC)NCCC12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:23:19.20.21,25:16:23:19.20.21,THB:25:20:17.16.24:23,21:20:17:24.22.23,21:22:17:19.25.20|
BDBM50298873 CCC[C@H](CNC)NC[C@@H](CCC)NCCC1CC2CCC1C2 |r,TLB:15:16:20.19:22|
BDBM50298874 CCC[C@H](CNC)NC[C@@H](CCC)NCCC1CCCC1 |r|
BDBM50299563 Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)C(=O)NCCc1ccc(cc1)-c1ccccc1 |r|
BDBM50299565 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
BDBM50299566 N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50299567 N[C@@H](Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50326883 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50326884 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50326885 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50326886 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
BDBM50326887 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
BDBM50326888 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50326889 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50326890 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50283516 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5C(C)=O |c:16|
BDBM50283517 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5-c1ccoc1 |c:16|
BDBM50283518 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OS(=O)(=O)C(F)(F)F |c:16|
BDBM50283519 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5-c1ccsc1 |c:16|
BDBM50283520 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5-c1cc2ccccc2s1 |c:16|
BDBM50283521 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5-c1ccco1 |c:16|
BDBM50283522 CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35 |c:17|
BDBM50283523 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5C |c:16|
BDBM50283524 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5-c1ccccc1 |c:16|
BDBM50283525 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5-c1cccs1 |c:16|
BDBM50295071 CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM50295072 CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM50334995 CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r|
BDBM50334996 CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
BDBM50334997 CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r|
BDBM50336674 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6cccc(F)c6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
BDBM50336675 Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:32:34.4.5|
BDBM50336676 Oc1ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:33:35.4.5|
BDBM50336677 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)CCc6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:31:33.4.5|
BDBM50336678 CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccc(O)cc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:23:33.27.26|
BDBM50336679 CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5cccc(O)c5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:23:33.27.26|
BDBM50336680 CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5O)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:23:33.27.26|
BDBM50336681 Oc1ccc(cc1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1Cc1ccccc1 |r,THB:30:29:14:24.18.17|
BDBM50336682 Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6O)CC[C@@]34O5)c2c1 |r,THB:8:7:33:35.4.5|
BDBM50336683 Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
BDBM50336684 Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(C[C@]5(CNC(=O)c6ccc(F)cc6)CC[C@@]34O5)c2c1 |r,THB:8:7:33:35.4.5|
BDBM50336685 Oc1cccc(c1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1Cc1ccccc1 |r,THB:30:29:14:24.18.17|
BDBM50336686 Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6F)CC[C@@]34O5)c2c1 |r,THB:8:7:33:35.4.5|
BDBM50336687 Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(C[C@]5(CNC(=O)c6cccc(F)c6)CC[C@@]34O5)c2c1 |r,THB:8:7:33:35.4.5|
BDBM50336661 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:29:31.4.5|
BDBM50336662 CN(C[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1)C(=O)c1ccccc1 |r,THB:22:21:6:16.10.9|
BDBM50336663 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)Cc6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
BDBM50336664 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)\C=C\c6ccoc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
BDBM50336665 Cc1ccc(cc1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
BDBM50336666 Cc1cccc(c1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
BDBM50336667 Cc1ccccc1C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
BDBM50336668 CN(C[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1)C(=O)c1ccc(C)cc1 |r,THB:22:21:6:16.10.9|
BDBM50336669 CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:19:29.23.22|
BDBM50336670 CC(C)CN1CC[C@]23C[C@]4(CNC(=O)c5ccccc5)CC[C@@]2(O4)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:22:32.26.25|
BDBM50336671 Oc1ccc(cc1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
BDBM50336672 Oc1cccc(c1)C(=O)NC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:30:29:14:24.18.17|
BDBM50336673 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6O)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
BDBM60212 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
BDBM50334987 CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
BDBM50334988 CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
BDBM50334989 CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
BDBM50334990 CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
BDBM50334991 CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r|
BDBM50334992 CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r|
BDBM50334993 CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
BDBM50334994 CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r|
BDBM81483 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
BDBM82090 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 |r|
BDBM50329099 CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:20:24.30.23|
BDBM50329100 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:27:4.29.5|
BDBM50329101 Oc1ccc2C[C@H]3N(CC4CCCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:29:4.31.5|
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM50329095 CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:17:21.27.20|
BDBM50329096 Oc1ccc2C[C@H]3N(Cc4ccccc4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:30:4.32.5|
BDBM50329097 Oc1ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:31:4.33.5|
BDBM50329098 Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:28:4.30.5|
BDBM81934 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O
BDBM81935 Oc1ccc2CC(C3CC3)N3CCC45C(Oc1c24)c1[nH]c2C4Oc6c7c(CC(C8CC8)N8CCC47C(O)(C8)Cc2c1CC5(O)C3)ccc6O |TLB:7:6:12.11:44.42,43:42:6.5.4.17:12.11,28:27:35.37:32.33,THB:23:24:35.37:32.33,45:25:35.37:32.33,41:42:6.5.4.17:12.11,16:17:12.11:44.42,3:4:12.11:44.42,36:35:32.33:25.24.26.27|
BDBM50330441 Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM50341314 CCCC[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(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM50341315 CCCC[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(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM50341316 CCCC[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(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r|
BDBM50341317 CCCC[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(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r|
BDBM50341318 CSCC[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(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM50271991 C(CN1C(C[N+]2=C1NCC2C1CCCCC1)C1CCCCC1)C1CC2CCC1C2 |c:5,THB:0:22:28:26.25|
BDBM50326682 C[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
BDBM50326683 C[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
BDBM50326684 CCN(C(=O)CCN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
BDBM50326685 C[C@H]1CN(CCC(=O)NCc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
BDBM50326686 C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
BDBM50326687 C[C@H]1CN(CCC(=O)NC(C)(C)C)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
BDBM50326688 C[C@H]1CN(CC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
BDBM50326689 C[C@H]1CN(CC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
BDBM50326690 C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
BDBM50326691 CCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
BDBM50285003 COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18|
BDBM50321606 CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:8.20,58.71,93.99,78.84,wD:73.79,48.59,22.31,33.48,4.4,101.107,(24.59,-5.48,;25.93,-4.72,;25.93,-3.18,;24.59,-2.4,;24.59,-.86,;23.26,-.1,;21.93,-.87,;21.93,-2.41,;20.59,-.11,;20.59,1.44,;22,2.07,;23.25,1.19,;24.48,2.12,;23.98,3.58,;24.73,4.92,;23.94,6.24,;22.4,6.22,;21.65,4.87,;22.44,3.55,;19.25,-.87,;17.91,-.12,;17.91,1.43,;16.57,-.89,;16.57,-2.43,;17.91,-3.2,;17.91,-4.73,;19.24,-5.51,;19.24,-7.05,;17.93,-7.8,;20.61,-7.81,;15.25,-.1,;13.92,-.87,;13.92,-2.41,;12.59,-.1,;12.6,1.44,;13.92,2.21,;15.26,1.44,;16.59,2.21,;16.6,3.75,;17.93,4.53,;17.92,6.07,;16.58,6.84,;15.25,6.06,;15.26,4.52,;13.92,3.75,;11.26,-.86,;9.92,-.1,;9.92,1.45,;8.58,-.87,;8.58,-2.41,;9.92,-3.18,;11.32,-2.55,;12.36,-3.69,;11.59,-5.03,;10.08,-4.71,;7.25,-.09,;5.91,-.85,;5.91,-2.39,;4.58,-.08,;4.58,1.46,;5.91,2.23,;7.25,1.47,;8.58,2.24,;8.58,3.78,;7.24,4.55,;5.91,3.78,;3.25,-.85,;1.92,-.07,;1.92,1.47,;.58,-.85,;-.75,-.07,;-2.08,-.85,;-2.08,-2.38,;-3.41,-.07,;-3.41,1.47,;-4.75,-.84,;-6.09,-.08,;-6.09,1.47,;-7.42,-.86,;-7.4,-2.4,;-8.75,-.1,;-10.08,-.88,;-10.06,-2.42,;-8.72,-3.17,;-11.4,-3.2,;-12.73,-2.44,;-14.07,-3.22,;-12.76,-.9,;-11.41,-.13,;-11.43,1.41,;25.93,-.09,;25.93,1.45,;27.26,-.87,;28.59,-.09,;28.59,1.45,;29.93,2.21,;31.25,1.45,;29.93,3.76,;29.93,-.87,;29.93,-2.4,;31.26,-.1,;32.6,-.87,;32.6,-2.4,;33.93,-3.17,;35.28,-2.4,;36.61,-3.17,;36.61,-4.71,;35.27,-5.48,;33.94,-4.71,;33.93,-.1,;35.27,-.86,;33.93,1.45,)|
BDBM50321607 CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50321608 CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50266063 CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(O)=O)C1=O)[nH]c1ccccc21 |r|
BDBM50298854 CCC(C)[C@@H](CNC)N1CCN(CCC2CC3CCC2C3)[C@@H](C1)C(C)C |r,TLB:13:14:18.17:20|
BDBM50298855 CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCCC2CCCCC2)[C@@H](C1)C(C)C |r|
BDBM50298856 CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCC2CC3CCC2C3)[C@@H](C1)C(C)C |r,TLB:17:18:22.21:24|
BDBM50298857 CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC1CCCCCC1 |r|
BDBM50298858 CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCC1CCC(C)CC1 |r,wU:14.24,wD:3.12,(23.12,-8.45,;21.78,-7.69,;21.77,-6.15,;20.44,-5.38,;19.1,-6.16,;17.77,-5.4,;17.76,-3.86,;16.43,-3.1,;15.1,-3.87,;13.76,-3.12,;15.11,-5.42,;16.45,-6.18,;20.43,-3.84,;21.75,-3.07,;21.75,-1.53,;23.08,-.75,;24.41,-1.51,;24.42,-3.05,;25.75,-3.81,;27.09,-3.04,;28.43,-3.8,;27.07,-1.49,;25.74,-.74,;20.41,-.76,;20.41,.78,;19.06,1.54,;19.05,3.09,;17.71,3.84,;16.38,3.06,;15.04,3.82,;16.39,1.52,;17.74,.75,)|
BDBM50298859 CNC[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NCCC1CC2CCC1C2 |r,TLB:25:26:30.29:32|
BDBM50286101 [I-].[H][C@@]12N=C(c3ccccc3)[C@]3(C)C[C@]4(C=C[C@]13OC)[C@@]1([H])Cc3ccc(OC)c(OC)c3[C@@]24CC[N+]1(C)C |r,c:15,t:2,TLB:4:11:33.2:15.16,18:17:3.4:33.14.13,12:11:33.2:15.16,THB:16:17:3.4:33.14.13|
BDBM50286102 CCOc1ccc(cc1)C1=N[C@@H]2[C@@]3(OC)C=C[C@@]4(C[C@@]13C)C1Cc3ccc(OC)c(O)c3C24CCN1C |c:16,t:10,TLB:6:9:12:32.17.18,20:19:32.11:16.15,9:19:32.11:16.15,16:17:31.23.22:35.33.34,36:35:17:31.23.22,29:31:17:35.33.34|
BDBM50286103 COC12C=CC34C[C@@]1(C)C(=N[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1 |c:3,10,TLB:24:25:5:15.13.14,26:9:2:12.5.6,16:15:5:25.19.18,THB:4:5:25.19.18:15.13.14|
BDBM50286104 COc1ccc2CC3N(C)CCC4([C@@H]5N=C(c6ccccc6)[C@]6(C)CC34C=CC56OC)c2c1O |c:29,t:14,TLB:9:8:25:31.5.6,THB:16:15:28:12.25.24,26:25:31.5.6:8.11.10,32:31:25:8.11.10|
BDBM50286105 CO[C@]12C=C[C@]34C[C@@]1(C)[C@@H](N(C)[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1 |c:3,TLB:25:26:5:16.14.15,8:7:13.12:3.4,9:7:13.12:3.4,11:10:2:13.5.6,17:16:5:26.20.19,THB:4:5:26.20.19:16.14.15|
BDBM50286106 COC12C=CC34C[C@@]1(C)[C@@H](N[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1 |c:3,TLB:24:25:5:15.13.14,26:9:2:12.5.6,16:15:5:25.19.18,THB:4:5:25.19.18:15.13.14|
BDBM50321597 CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:33.48,22.31,4.4,48.59,93.100,wD:70.77,58.62,8.20,85.92,(16.65,-3.98,;15.32,-4.75,;15.32,-6.29,;13.98,-7.06,;13.98,-8.6,;12.65,-9.36,;11.32,-8.59,;11.32,-7.05,;9.99,-9.35,;9.99,-10.9,;11.32,-11.67,;12.72,-11.05,;13.76,-12.19,;12.98,-13.52,;13.46,-14.99,;12.42,-16.14,;10.92,-15.81,;10.44,-14.35,;11.48,-13.21,;8.66,-8.59,;7.33,-9.38,;7.33,-10.92,;6,-8.61,;6,-7.07,;7.33,-6.3,;7.33,-4.76,;8.66,-3.97,;8.68,-2.43,;7.33,-1.66,;10,-1.66,;4.65,-9.35,;3.32,-8.59,;3.32,-7.05,;1.99,-9.36,;1.76,-10.89,;2.96,-11.84,;2.73,-13.37,;3.92,-14.33,;5.36,-13.77,;6.57,-14.74,;8.01,-14.17,;8.23,-12.64,;7.03,-11.68,;5.59,-12.24,;4.39,-11.29,;.66,-8.58,;-.66,-9.38,;-.66,-10.92,;-2,-8.61,;-2,-7.07,;-.66,-6.29,;.75,-6.93,;1.79,-5.78,;1.01,-4.45,;-.5,-4.76,;-3.33,-9.38,;-4.67,-8.61,;-4.67,-7.07,;-6,-9.38,;-7.33,-8.62,;-8.66,-9.39,;-9.99,-8.62,;-11.33,-9.39,;-11.33,-10.93,;-9.99,-11.69,;-8.66,-10.92,;-7.33,-11.7,;-6,-10.91,;-4.66,-11.68,;-3.33,-10.91,;-4.66,-13.22,;-5.99,-13.99,;-3.32,-13.99,;-3.32,-15.53,;-4.65,-16.3,;-5.98,-15.53,;-4.65,-17.84,;-3.31,-18.61,;-3.31,-20.15,;-1.98,-17.84,;-1.98,-16.29,;-.65,-15.52,;15.32,-9.37,;15.32,-10.91,;16.65,-8.59,;17.98,-9.36,;17.98,-10.91,;19.32,-11.67,;20.64,-10.9,;19.32,-13.21,;19.32,-8.59,;19.32,-7.05,;20.65,-9.36,;21.98,-8.59,;21.98,-7.05,;23.31,-6.28,;24.65,-7.06,;25.98,-6.29,;25.99,-4.75,;24.65,-3.98,;23.32,-4.75,;23.31,-9.36,;24.65,-8.59,;23.31,-10.91,)|
BDBM50321598 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CSSC[C@@H](N)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:69.84,89.95,29.31,10.11,wD:44.48,74.80,19.20,81.87,55.59,(1.42,-5.48,;.09,-4.71,;-1.25,-5.49,;-2.59,-4.72,;-3.92,-5.48,;-2.59,-3.17,;-1.25,-2.41,;-1.25,-.87,;.08,-3.17,;1.41,-2.4,;2.75,-3.17,;2.75,-4.71,;4.08,-2.39,;4.08,-.85,;5.42,-3.16,;6.02,-4.57,;5.09,-5.8,;3.56,-5.61,;5.68,-7.22,;4.75,-8.45,;3.42,-7.68,;2.08,-8.45,;.68,-7.83,;-.35,-8.98,;.42,-10.31,;1.93,-9.98,;4.75,-9.99,;3.42,-10.76,;6.09,-10.76,;6.09,-12.3,;4.75,-13.07,;4.75,-14.61,;6.08,-15.37,;6.09,-16.91,;4.75,-17.69,;4.75,-19.22,;3.42,-19.99,;2.08,-19.22,;2.09,-17.68,;3.42,-16.92,;3.42,-15.39,;7.42,-13.07,;7.42,-14.61,;8.75,-12.3,;10.09,-13.07,;10.09,-14.61,;8.75,-15.38,;8.75,-16.92,;7.42,-17.69,;7.42,-19.23,;6.09,-20,;8.75,-20,;11.42,-12.3,;12.75,-13.07,;11.42,-10.76,;12.75,-9.99,;14.09,-10.76,;15.42,-9.99,;15.57,-8.48,;17.08,-8.15,;17.86,-9.48,;19.37,-9.79,;19.85,-11.26,;18.82,-12.42,;17.3,-12.1,;16.82,-10.63,;12.75,-8.45,;11.42,-7.68,;14.09,-7.68,;14.09,-6.14,;12.75,-5.37,;12.75,-3.83,;10,-3.73,;8.47,-3.54,;7.88,-2.12,;8.81,-.89,;6.35,-1.93,;5.75,-.51,;15.42,-5.37,;16.75,-6.14,;15.42,-3.83,;16.75,-3.06,;18.09,-3.83,;19.42,-3.06,;19.42,-1.52,;20.76,-3.83,;16.75,-1.52,;15.42,-.75,;18.09,-.75,;18.09,.78,;16.75,1.55,;16.75,3.09,;18.09,3.85,;18.09,5.39,;16.76,6.16,;15.42,5.39,;15.43,3.86,;19.42,1.55,;19.42,3.09,;20.76,.78,)|
BDBM50321599 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CSSC[C@@H](N)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:10.11,65.79,85.90,29.31,wD:19.20,70.75,40.43,77.82,51.54,(-6.99,1.44,;-8.33,2.2,;-9.67,1.43,;-11.01,2.2,;-12.34,1.43,;-11,3.74,;-9.66,4.51,;-9.66,6.05,;-8.33,3.74,;-7,4.51,;-5.67,3.75,;-5.66,2.21,;-4.33,4.52,;-4.34,6.06,;-3,3.75,;-2.4,2.34,;-3.33,1.11,;-4.86,1.3,;-2.73,-.31,;-3.66,-1.53,;-5,-.77,;-6.33,-1.54,;-7.73,-.92,;-8.76,-2.06,;-7.99,-3.4,;-6.48,-3.07,;-3.66,-3.08,;-5,-3.85,;-2.33,-3.85,;-2.33,-5.39,;-3.66,-6.16,;-3.66,-7.7,;-5,-8.46,;-5,-10,;-3.67,-10.77,;-2.33,-10,;-2.34,-8.46,;-1,-6.16,;-1,-7.7,;.34,-5.39,;1.67,-6.16,;1.67,-7.7,;.34,-8.47,;.34,-10.01,;-1,-10.78,;-1,-12.32,;-2.33,-13.09,;.34,-13.09,;3,-5.39,;4.34,-6.16,;3,-3.85,;4.34,-3.08,;5.67,-3.85,;7.01,-3.08,;7.16,-1.56,;8.67,-1.24,;9.44,-2.57,;10.95,-2.88,;11.43,-4.34,;10.4,-5.5,;8.89,-5.18,;8.41,-3.71,;4.34,-1.54,;3,-.77,;5.67,-.77,;5.67,.77,;4.34,1.54,;4.34,3.08,;1.59,3.18,;.06,3.38,;-.54,4.79,;.39,6.02,;-2.07,4.99,;-2.66,6.41,;7.01,1.54,;8.34,.77,;7.01,3.08,;8.34,3.85,;9.67,3.08,;11.01,3.85,;11.01,5.39,;12.34,3.08,;8.34,5.39,;7.01,6.16,;9.67,6.16,;9.67,7.7,;8.34,8.47,;8.34,10.01,;9.68,10.78,;9.68,12.32,;8.34,13.09,;7.01,12.31,;7.01,10.77,;11.01,8.47,;11.01,10.01,;12.34,7.7,)|
BDBM50271919 CC(C)C[C@@H]1CN2[C@@H](C[NH+]=C2N1CCC1CC2CCC1C2)C1CCCCC1 |r,c:9,THB:13:14:20:18.17|
BDBM50262499 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r|
BDBM50272038 CC(C)CC1C[N+]2=C(NCC2C2CCCCC2)N1CC1CCC(C)CC1 |t:6,(18.78,-19.11,;17.24,-19.08,;16.51,-17.72,;16.44,-20.39,;14.9,-20.35,;14.03,-19.08,;12.56,-19.52,;12.51,-21.07,;11.03,-21.5,;10.15,-20.23,;11.1,-19,;10.66,-17.53,;11.71,-16.42,;11.28,-14.94,;9.78,-14.58,;8.72,-15.69,;9.15,-17.17,;13.96,-21.58,;14.4,-23.06,;13.34,-24.18,;11.85,-23.81,;10.79,-24.92,;11.23,-26.4,;10.16,-27.51,;12.72,-26.76,;13.79,-25.65,)|
BDBM50272081 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1 |r|
BDBM50326657 COc1cccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3CC=C)c12 |r|
BDBM50326658 CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r|
BDBM50326659 COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
BDBM50326660 COc1cccc2C[C@H]3N(CC=C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
BDBM50326661 Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
BDBM50326662 CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
BDBM50326663 CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
BDBM50326665 O=CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@@H]2CCC4=O)c35 |r|
BDBM50326666 COC1CCC2C(CCN=C2Cc2cccc(O)c2)C1 |c:9|
BDBM50326667 COC1=CCC2=C(CCNC2Cc2ccccc2O)C1 |t:2,5|
BDBM50326681 C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
BDBM50244419 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCn1c23 |r|
BDBM50321601 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:5.5,1.0,78.83,66.79,55.66,37.39,97.102,wD:22.22,41.55,89.94,(17.54,.39,;18.85,-.37,;20.18,.39,;20.18,1.92,;18.85,2.7,;21.5,2.69,;21.5,4.24,;22.81,1.93,;22.81,.41,;21.51,-.37,;21.53,-1.91,;22.87,-2.67,;22.87,-4.2,;24.18,-1.88,;24.18,-.35,;18.85,-1.92,;20.2,-2.69,;17.54,-2.68,;17.54,-4.23,;16.23,-4.98,;14.91,-4.23,;16.23,-6.53,;14.91,-7.3,;13.6,-6.53,;12.26,-7.31,;12.29,-8.88,;10.96,-9.65,;9.62,-8.89,;9.61,-7.35,;10.94,-6.57,;14.91,-8.85,;16.26,-9.62,;13.6,-9.6,;13.6,-11.15,;12.3,-11.91,;12.3,-13.47,;10.99,-14.22,;10.99,-15.77,;9.67,-16.53,;8.36,-15.77,;8.36,-14.26,;7.02,-16.55,;7.02,-18.1,;8.36,-18.88,;9.61,-17.94,;10.87,-18.83,;10.39,-20.31,;11.18,-21.63,;10.42,-22.98,;8.88,-22.99,;8.1,-21.66,;8.85,-20.32,;5.7,-15.79,;4.36,-16.57,;4.36,-18.12,;3.05,-15.81,;3.05,-14.3,;4.36,-13.54,;4.36,-11.99,;5.67,-11.23,;5.67,-9.68,;4.33,-8.91,;6.98,-8.93,;1.71,-16.59,;.4,-15.83,;.4,-14.32,;-.95,-16.61,;-.95,-18.16,;.4,-18.93,;1.74,-18.14,;3.07,-18.9,;3.08,-20.45,;4.42,-21.21,;1.76,-21.23,;.42,-20.46,;-2.26,-15.85,;-3.61,-16.63,;-3.61,-18.18,;-4.92,-15.87,;-6.26,-16.65,;-4.92,-14.35,;-3.61,-13.6,;-2.21,-14.2,;-1.18,-13.04,;-1.97,-11.71,;-3.47,-12.05,;12.33,-16.55,;12.33,-18.07,;13.67,-15.77,;14.98,-16.53,;14.98,-18.05,;16.33,-18.82,;17.67,-18.05,;16.33,-20.33,;16.33,-15.75,;16.33,-14.2,;17.64,-16.51,;18.98,-15.73,;18.98,-14.18,;20.3,-13.43,;21.63,-14.17,;22.95,-13.39,;22.94,-11.85,;21.61,-11.09,;20.27,-11.87,;20.3,-16.49,;21.64,-15.71,;20.3,-18.01,)|
BDBM50321604 CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:58.71,74.80,8.20,87.93,69.75,wD:48.59,22.31,4.4,33.48,95.101,(27.14,-11.6,;25.81,-10.83,;25.81,-9.29,;24.47,-8.52,;24.47,-6.97,;23.14,-6.2,;21.8,-6.97,;21.8,-8.5,;20.47,-6.2,;20.47,-4.66,;21.89,-4.07,;23.12,-5,;24.38,-4.1,;23.93,-2.63,;24.71,-1.31,;23.96,.04,;22.43,.05,;21.64,-1.26,;22.38,-2.61,;19.13,-6.97,;17.8,-6.2,;17.8,-4.66,;16.46,-6.97,;16.46,-8.51,;17.8,-9.28,;17.8,-10.82,;19.14,-11.58,;19.13,-13.12,;17.8,-13.89,;20.46,-13.9,;15.12,-6.21,;13.78,-6.97,;13.78,-8.51,;12.45,-6.2,;12.42,-4.66,;13.74,-3.87,;15.09,-4.61,;16.4,-3.81,;16.37,-2.28,;17.69,-1.49,;17.67,.05,;16.32,.8,;15,.01,;15.03,-1.52,;13.71,-2.32,;11.12,-6.97,;9.78,-6.21,;9.78,-4.66,;8.44,-6.98,;8.44,-8.51,;9.78,-9.29,;11.18,-8.65,;12.21,-9.8,;11.45,-11.14,;9.94,-10.82,;7.1,-6.21,;5.76,-6.97,;5.76,-8.5,;4.43,-6.2,;4.43,-4.66,;5.76,-3.89,;7.1,-4.65,;8.42,-3.88,;8.42,-2.34,;7.09,-1.57,;5.75,-2.34,;3.1,-6.99,;1.76,-6.22,;1.76,-4.68,;.42,-6.99,;.42,-8.53,;-.9,-6.21,;-2.25,-6.97,;-2.25,-8.51,;-3.58,-6.2,;-4.91,-6.98,;-3.58,-4.66,;-2.25,-3.89,;-.92,-4.66,;.41,-3.89,;.4,-2.35,;1.77,-1.59,;-.92,-1.58,;-2.25,-2.35,;25.81,-6.21,;25.81,-4.67,;27.15,-6.98,;28.48,-6.21,;28.48,-4.66,;29.82,-3.89,;31.15,-4.66,;29.82,-2.35,;29.82,-6.97,;29.82,-8.51,;31.15,-6.2,;32.49,-6.97,;32.49,-8.5,;33.83,-9.28,;35.16,-8.5,;36.5,-9.28,;36.5,-10.82,;35.16,-11.58,;33.83,-10.81,;33.83,-6.2,;35.15,-6.96,;33.83,-4.65,)|
BDBM50321605 CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:69.75,8.20,58.71,89.95,wD:48.59,22.31,33.48,4.4,97.103,74.80,(28.82,-7.95,;30.15,-7.19,;30.15,-5.65,;28.82,-4.88,;28.82,-3.34,;27.48,-2.57,;26.15,-3.35,;26.15,-4.89,;24.82,-2.58,;24.82,-1.03,;26.22,-.4,;27.48,-1.28,;28.71,-.35,;28.21,1.11,;28.95,2.45,;28.16,3.77,;26.62,3.74,;25.87,2.4,;26.66,1.08,;23.48,-3.34,;22.13,-2.59,;22.13,-1.04,;20.8,-3.36,;20.8,-4.9,;22.13,-5.67,;22.13,-7.21,;23.47,-7.98,;23.47,-9.52,;22.16,-10.27,;24.84,-10.28,;19.47,-2.57,;18.15,-3.35,;18.15,-4.88,;16.82,-2.57,;16.82,-1.03,;18.15,-.26,;19.48,-1.03,;20.81,-.26,;20.82,1.28,;22.15,2.06,;22.15,3.6,;20.8,4.36,;19.47,3.58,;19.48,2.05,;18.14,1.28,;15.48,-3.33,;14.14,-2.57,;14.14,-1.02,;12.8,-3.34,;12.8,-4.88,;14.14,-5.65,;15.55,-5.02,;16.59,-6.17,;15.81,-7.5,;14.31,-7.18,;11.47,-2.57,;10.13,-3.32,;10.13,-4.86,;8.81,-2.55,;8.81,-1.01,;10.13,-.25,;11.47,-1.01,;12.81,-.24,;12.8,1.31,;11.47,2.07,;10.14,1.3,;7.47,-3.33,;6.13,-2.55,;6.13,-1.01,;4.8,-3.33,;4.8,-4.87,;3.47,-2.56,;2.12,-3.32,;2.13,-4.86,;.8,-2.54,;.81,-1,;-.54,-3.3,;-1.86,-2.52,;-1.85,-.98,;-.51,-.23,;-3.18,-.2,;-4.52,-.96,;-5.84,-.18,;-4.53,-2.49,;-3.2,-3.27,;-3.21,-4.81,;30.15,-2.57,;30.15,-1.03,;31.49,-3.34,;32.82,-2.57,;32.82,-1.02,;34.15,-.26,;35.48,-1.03,;34.15,1.29,;34.15,-3.34,;34.15,-4.88,;35.49,-2.57,;36.82,-3.34,;36.82,-4.88,;38.16,-5.65,;39.5,-4.87,;40.83,-5.65,;40.84,-7.18,;39.5,-7.95,;38.16,-7.19,;38.16,-2.57,;39.49,-3.33,;38.16,-1.02,)|
BDBM50271960 COc1ccc(C[C@@H]2CN3[C@@H](C)C[NH+]=C3N2CCCC2CCCCC2)cc1 |r,c:13|
BDBM50271871 COc1ccc(C[C@@H]2CN3[C@@H](C[NH+]=C3N2CCC2CC3CCC2C3)C2CCCCC2)cc1 |r,c:12,THB:16:17:23:21.20|
BDBM50271872 COc1ccc(C[C@@H]2CN3[C@H](C[NH+]=C3N2CCC23CC4CC(CC(C4)C2)C3)C2CCCCC2)cc1 |r,c:12,TLB:16:17:20.19.24:22,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|
BDBM82266 COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C |c:9,THB:9:8:20.19.18:6.5.16|
BDBM85325 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#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]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O
BDBM85326 Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=C)CCC35O |TLB:22:23:5.4.18:13.12.7,24:23:5.4.18:13.12.7|
BDBM85328 N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM85329 [H]C12Cc3ccc(O)c4OC5C(O)C=CC1C5(CCN2)c34 |c:13,TLB:8:20:15:19.17.18|
BDBM85331 CN1CCC2(C)c3cc(O)ccc3CC1C2(C)CCC(=O)CCC1CCCC1 |TLB:16:15:3.2.1:13.12.6,THB:7:6:3.2.1:15,17:15:3.2.1:13.12.6,0:1:15:13.12.6|
BDBM85333 [#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@@H](-[#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
BDBM85334 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(N)=O |wU:7.7,11.11,1.1,67.72,15.22,26.38,58.61,wD:3.3,40.51,52.57,(12.69,6.59,;11.36,5.82,;12.13,4.49,;10.02,6.59,;8.69,5.82,;7.35,6.59,;7.35,8.13,;6.02,5.82,;5.25,4.49,;6.02,3.16,;7.56,3.16,;5.25,1.82,;6.58,1.05,;6.58,-.49,;5.25,-1.26,;7.92,-1.26,;7.15,-2.59,;7.92,-3.93,;7.15,-5.26,;7.92,-6.59,;7.15,-7.93,;7.92,-9.26,;5.61,-7.93,;9.25,-2.03,;10.58,-1.26,;10.58,.28,;11.92,-2.03,;13.25,-2.8,;13.25,-4.34,;12.01,-5.24,;12.48,-6.71,;14.02,-6.71,;15.05,-7.85,;16.56,-7.53,;17.03,-6.07,;16,-4.92,;14.5,-5.24,;12.69,-.69,;14.23,-.69,;15,-2.03,;15,.64,;15.27,2.15,;16.72,2.68,;17.9,1.68,;19.34,2.2,;19.62,3.72,;21.07,4.24,;18.44,4.71,;16.99,4.19,;16.51,.37,;17.04,-1.08,;16.04,-2.26,;18.55,-1.36,;18.82,.16,;20.27,.68,;20.07,-1.63,;21.4,-.86,;21.4,.68,;22.73,-1.63,;23.5,-.29,;24.07,-2.4,;25.4,-1.63,;25.4,-.09,;26.73,.68,;28.07,-.09,;28.07,-1.63,;26.73,-2.4,;4.26,.64,;5.44,-.35,;3.08,1.63,;4.68,6.59,;3.35,5.82,;5.45,7.93,;3.91,7.93,;10.79,7.93,;12.33,7.93,;10.02,9.26,)|
BDBM85098 [#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O
BDBM86258 CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
BDBM86518 CN1CCC23C4Oc5c2c(CC1C3CCC4O)ccc5O |TLB:13:12:1.2.3:10.9.8|
BDBM86519 CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5OC(C)=O |TLB:13:12:10.9.8:3.2.1|
BDBM86520 CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5O |TLB:13:12:1.2.3:10.9.8|
BDBM50357428 CN(C\C=C(/C)c1ccccc1)Cc1ccccc1
BDBM50357429 COc1ccc(cc1)C(\C)=C\CN(C)Cc1ccccc1
BDBM50357430 C\C(=C/CN1CCC(Cc2ccccc2)CC1)c1ccccc1
BDBM50357431 COc1ccc(cc1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1
BDBM50357432 COc1cccc(c1)C(\C)=C\CN(C)Cc1ccccc1
BDBM50357447 COc1cccc(c1)C(\C)=C\CN1CCC(Cc2ccccc2)CC1
BDBM50360140 CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:3:4:20:29.23.22|
BDBM50360141 CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:0:1:17:26.20.19|
BDBM50360142 Oc1cccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CC3)c12 |r,THB:25:24:8:29.5.6|
BDBM50360143 Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
BDBM50360144 Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3Cc3ccccc3)c2c1 |r,THB:24:23:7:31.4.5|
BDBM50360145 Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CCc3ccccc3)c2c1 |r,THB:24:23:7:32.4.5|
BDBM50360146 Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCC3)c2c1 |r,THB:24:23:7:29.4.5|
BDBM50360147 Oc1ccc2C[C@@H]3[C@@H]4Cc5cc6ccccc6nc5C[C@]4(CCN3CC3CCCC3)c2c1 |r,THB:24:23:7:30.4.5|
BDBM82507 CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
BDBM50359546 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM84994 CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
BDBM50354578 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 |r|
BDBM50367335 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)OC |r|
BDBM50367336 Cl.[H][C@@]12[#8]-c3c4c(-[#6][C@@]5([H])[#7](-[#6]-[#6]-6-[#6]-[#6]-6)-[#6]-[#6][C@@]14[C@@]5([#8])[#6]-[#6]\[#6]2=[#7]\[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#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@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#8]-[#6])ccc3-[#8] |r,THB:11:10:18:7.6.5|
BDBM50367337 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3C)c45)C(O)=O |r,w:20.20,TLB:33:41:24:37.38.39,25:24:37.38.39:27.28.41,40:39:24:27.28.41|
BDBM50367338 CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CCC4=NNC(N)=O)ccc5O |r,w:17.21,TLB:13:12:1.2.3:9.10.8,THB:0:1:12:9.10.8,7:8:1.2.3:12|
BDBM50354653 C[C@@H](N1Cc2cc(O)ccc2CC(N)C1=O)C(=O)NC1Cc2ccccc2CN(CC(N)=O)C1=O |r|
BDBM50367339 CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)NN=C1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C(O)=O |r,w:20.20,TLB:33:44:24:37.38.39,25:24:37.38.39:27.28.44,40:39:24:27.28.44|
BDBM50367340 Cl.[H][C@@]12[#8]-c3c4c(-[#6][C@@]5([H])[#7](-[#6])-[#6]-[#6][C@@]14[C@@]5([#8])[#6]-[#6]\[#6]2=[#7]\[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#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@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#8]-[#6])ccc3-[#8] |r,THB:11:10:15:7.6.5|
BDBM50347160 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H]1[C@]4(CCN5CC1CC1)c67)[C@@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
BDBM50347161 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]6Cc7ccc(O)c8O[C@@H]1[C@]4(CCN6CC1CC1)c78)[C@@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3CC1CC1)c46)ccc5O |r|
BDBM50347162 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]6Cc7ccc(O)c8O[C@@H]1[C@]4(CCN6CC1CC1)c78)[C@@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3C)c46)ccc5O |r|
BDBM50347163 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]6Cc7ccc(O)c8O[C@@H]1[C@]4(CCN6C)c78)[C@@H]3O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3C)c46)ccc5O |r|
BDBM50347164 Oc1ccc2C[C@@H]3[C@@H]4CC[C@]5(O[C@@H]6N7[C@H]5O[C@]5(CC[C@H]8[C@H]9Cc%10ccc(O)c%11O[C@@H]5[C@]8(CCN9CC5CC5)c%10%11)[C@@H]7O[C@]65CC[C@H]6[C@H]7Cc8ccc(O)c9O[C@@H]5[C@]6(CCN7CC5CC5)c89)[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
BDBM50347174 Oc1ccc2CC34CCC(=O)CC3(CCN(CC3CC3)C4)c2c1
BDBM50347175 CN1CCC23CC(=O)CCC2(Cc2ccc(O)cc32)C1
BDBM50347176 Oc1ccc2CC34CCC(=O)CC3(CCN(CC3(O)CC3)C4)c2c1
BDBM50347177 CCC12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc13)C2(C)C |r,THB:6:5:20:19.13.12|
BDBM50347178 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C1(O)CC[C@@]35OC1 |r|
BDBM50347179 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
BDBM50355374 FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r|
BDBM50355375 FC(F)(F)c1cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCC(=O)N(C2CCN(CCc3ccccc3)CC2)c2ccccc2)cc(c1)C(F)(F)F |r|
BDBM50366764 Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
BDBM50366797 CC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O
BDBM50354992 CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3CC(C)C)c46)ccc5O |r|
BDBM50354993 Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
BDBM50354994 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)O[C@H]3CO[C@@H]4N3[C@H]5O[C@]43CC[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5CC4CC4)C3)c2c1 |r,TLB:8:7:19:52.4.5|
BDBM50354995 Oc1ccc2C[C@@H]3[C@@H]4CC[C@]5(O[C@H]6CO[C@@H]7N6[C@H]5O[C@]75CC[C@H]6[C@H]7Cc8ccc(O)c9O[C@@H]5[C@]6(CCN7CC5CC5)c89)[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|