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708 SMILES Strings for Neuropeptide Y receptor type 2

Compound NameSMILES String
BDBM10759 CC(=O)OCC[N+](C)(C)C
BDBM21280 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
BDBM25756 COCCc1ccc(OCC(O)CNC(C)C)cc1
BDBM29666 Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(Cl)cc1 |w:5.5|
BDBM31712 Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
BDBM31368 Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1CC1CCCO1
BDBM32876 CSc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1
BDBM32079 CCc1cc(-c2n[nH]cc2-c2ccc3OCOc3c2)c(O)cc1O
BDBM34406 CCOC(=O)c1ccc(cc1)-n1c2nc(C)[nH]c(=O)c2sc1=S
BDBM34803 COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
BDBM34807 CC(C)N=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:14.15,3.2|
BDBM37642 OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1 |c:5|
BDBM38893 CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
BDBM38831 Cc1nn(-c2ccccc2)c2sc(cc12)C(O)=O
BDBM36851 CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1
BDBM36957 Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1
BDBM37109 COc1ccc(cc1Cl)-n1nc2ccc(NS(C)(=O)=O)cc2n1
BDBM37026 CC(=O)c1c(C)[nH]c(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c1C
BDBM39446 CC(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
BDBM40182 CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccc(N)cc1
BDBM42412 COc1cccc(Oc2c[nH]nc2-c2ccc(O)cc2O)c1
BDBM42413 COc1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1
BDBM42414 COc1ccc(Oc2c(C)[nH]nc2-c2ccc(O)cc2O)cc1
BDBM42415 CCCCOc1cccc(OCCCC)c1C(=O)Nc1cc(C)on1
BDBM42416 CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)N(CC)CC)cc1
BDBM42417 O=C(NC1CCCCC1)C(N(Cc1ccc2OCOc2c1)C(=O)c1cnsn1)c1ccncc1
BDBM42418 CC(C)(C)n1nnnc1C(N(Cc1ccco1)Cc1ccccc1)c1ccc(cc1)C(F)(F)F
BDBM42419 OC(=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
BDBM42420 Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(cc1Cl)C(F)(F)F
BDBM42421 CCOC(=O)C(C=Nc1cc(C)nn1-c1ccc(Cl)cc1)C(=O)OCC |w:7.7|
BDBM42422 CCC(C)(N(Cc1ccco1)C(=O)Cc1cccs1)C(=O)NC1CCCC1
BDBM42423 Clc1ccc(Cn2cc(C(=O)c3ccco3)c3ccccc23)cc1
BDBM42424 CCC(C)(N(Cc1ccco1)C(=O)Cc1cccs1)C(=O)NC1CCCCC1
BDBM42425 O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
BDBM42426 Cc1cccc(OCCNC(=O)c2ccc(Oc3ccc(cc3[N+]([O-])=O)C(F)(F)F)cc2)c1
BDBM42427 Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(O)=O)c1
BDBM42428 CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(O)=O
BDBM42429 Cc1ccc(cc1)C(=O)C[n+]1cc(-c2ccccc2)n2CCCCCc12
BDBM42444 CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1
BDBM42445 COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(cc1C)C(C)(C)C
BDBM42446 COc1ccc(cc1)-c1noc(CN2CCCCC2c2nccn2C)n1
BDBM42447 Cc1cc(C)n(CCNCc2cn(nc2-c2ccc(F)cc2)-c2ccc(C)cc2)n1
BDBM42448 CCOC(=O)C1(CCCc2ccccc2)CCN(CC1)C1CCSCC1
BDBM42449 Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C
BDBM42450 Oc1ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)c1
BDBM42411 CCCCCCn1c2CCCc2c(=N)c2CCCc12
BDBM42451 CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(CN3CCOCC3)c12
BDBM42452 COc1ccc(cc1)-n1c(c[n+]-2c1CCc1ccccc-21)-c1ccc(Cl)cc1
BDBM42453 [H]C12CCC([H])(C1)C(C2)C(C)NC(=O)Cn1c(NCCO)nc2ccccc12 |TLB:9:7:6:3.2|
BDBM42454 Clc1ccc(-c2cs\c(=[NH+]/c3ccccc3)n2Cc2ccco2)c(Cl)c1
BDBM42430 COc1ccc(cc1N(CC(O)CN(CC(C)C)CC(C)C)S(=O)(=O)c1ccccc1)[N+]([O-])=O
BDBM42431 CCCCC(O)(CCCC)C(=O)NN(C(=O)OC)c1ccccc1
BDBM42432 CCc1cccc(CC)c1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1
BDBM42433 CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1
BDBM42434 [H][C@]12CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@]1([H])c1cc(C(=O)N3CCCC3)n(Cc3ccc(nc3)C(F)(F)F)c1C2
BDBM42456 Cc1ccc(c(C)c1)-n1c(c[n+]-2c1CCc1ccccc-21)-c1ccccc1 |(4.56,4.78,;5.04,6.24,;4.01,7.39,;4.49,8.85,;6,9.17,;7.02,8.03,;8.53,8.34,;6.55,6.56,;6.47,10.64,;5.57,11.88,;6.47,13.11,;7.93,12.65,;7.93,11.11,;9.26,10.34,;10.6,11.11,;10.6,12.65,;12,13.43,;12.01,15.03,;10.62,15.83,;9.24,15.02,;9.26,13.42,;4.03,11.88,;3.26,13.21,;1.72,13.21,;.95,11.88,;1.72,10.54,;3.26,10.54,)|
BDBM42457 [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]\[#7+](-[#6]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:15|
BDBM42458 COc1ccccc1-n1c2CCc3ccccc3-[n+]2cc1-c1ccccc1 |(9.56,5.73,;8.53,6.88,;7.02,6.56,;6.55,5.1,;5.04,4.78,;4.01,5.93,;4.49,7.39,;6,7.71,;6.47,9.17,;7.93,9.64,;9.26,8.87,;10.6,9.64,;10.6,11.18,;12,11.96,;12.01,13.57,;10.62,14.37,;9.24,13.56,;9.26,11.95,;7.93,11.18,;6.47,11.65,;5.57,10.41,;4.03,10.41,;3.26,11.75,;1.72,11.75,;.95,10.41,;1.72,9.08,;3.26,9.08,)|
BDBM42435 Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1
BDBM42436 Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc1ccccc1C(F)(F)F
BDBM42437 COc1ccc(cc1)C1N(N=C(N(C)N1C(C)=O)C(C)=O)c1ccc(Cl)cc1 |c:11|
BDBM42438 CCN1\C(Sc2ccccc12)=C\c1sc(c[n+]1C)-c1ccccc1C
BDBM42439 COc1ccc(cc1)N(C(=O)C1CCCCC1)S(=O)(=O)c1cccc2cccnc12
BDBM42440 Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1
BDBM42441 COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N
BDBM42455 Brc1ccc(cc1)-c1csc(N=CN2CCCC2)n1 |w:11.11|
BDBM42459 [#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|
BDBM42460 COc1ccc(cc1)N(C)S(=O)(=O)c1cccc(c1)C(=O)NCC1CCCCC1
BDBM42461 COc1ccc(cc1)N(C)S(=O)(=O)c1cccc(c1)C(=O)NC1CCC(C)CC1 |(16.42,7.7,;16.42,6.16,;15.08,5.39,;15.08,3.85,;13.75,3.08,;12.42,3.85,;12.42,5.39,;13.75,6.16,;11.08,3.08,;9.75,3.85,;11.08,1.54,;12.62,1.54,;9.54,1.54,;11.08,,;12.42,-.77,;12.42,-2.31,;11.08,-3.08,;9.75,-2.31,;9.75,-.77,;8.41,-3.08,;7.08,-2.31,;8.41,-4.62,;7.08,-5.39,;7.08,-6.93,;5.75,-7.7,;4.41,-6.93,;3.08,-7.7,;4.41,-5.39,;5.75,-4.62,)|
BDBM42462 CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)CO)C(O)C(OC2OCC(OC(C)=O)C(OC(C)=O)C2O)C1O |t:28|
BDBM42463 [H][C@@]12O[C@]1(C)[C@@H](C)[C@@]1([H])[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]11C(=O)C=CC(=O)[C@H](O)C(C)=C[C@@H](C)CC=C[C@@]21[H]
BDBM42478 COc1cccc(c1)-c1nc(no1)-c1ccc(NC(=O)Cc2ccccc2OC)cc1
BDBM42524 Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2C)C(=O)Nc2ccccc2-c2ccccc2)c1
BDBM42539 CCOc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM42357 Clc1ccc(NC(=O)NCCCn2ccnc2)cc1
BDBM42574 Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
BDBM42407 COc1ccc(cc1)N1CCN(CC1)C(c1nnnn1C1CCCC1)c1cccc(OC)c1OC
BDBM42408 COc1ccccc1CN(Cc1nnnn1Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O
BDBM42409 CC(C)CC(N1CCN(CC1)c1ccccc1F)c1nnnn1C1CCCC1
BDBM42442 CNCc1cc(Cl)cc(OC)c1OC(C)C
BDBM42443 CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc12 |t:1|
BDBM41606 [O-][N+](=O)c1ccc2nc(NC(NC(=O)c3ccccc3)(C(F)(F)F)C(F)(F)F)sc2c1
BDBM42046 Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1
BDBM44012 CCn1nc(c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O)[N+]([O-])=O
BDBM48527 Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N
BDBM48679 Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1 |w:6.5|
BDBM47537 Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
BDBM47421 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
BDBM47430 Oc1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1O
BDBM47312 CC(C)OC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O
BDBM46361 O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
BDBM46413 Nc1cc(nn1Cc1ccccc1)-c1ccc(Br)cc1
BDBM46522 COCCOC(=O)C(CC(O)=O)NCc1ccco1
BDBM55630 [Br-].Cc1sc2cc3-c4cccc5cccc(-c3c(C(=O)c3ccccc3)[n+]2c1C)c45
BDBM55896 COc1ccc(Nc2oc(\C=C3\SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1
BDBM55926 Cc1c(c(nn1C)C(=O)Sc1ccc(Br)cc1)[N+]([O-])=O
BDBM54371 Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
BDBM54120 COc1ccc(CN2C(=O)C(=CNc3ccccc3C(O)=O)c3ccccc3C2=O)cc1 |w:11.11|
BDBM54136 COc1ccccc1NS(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O |w:23.25|
BDBM58038 Clc1ccc(cc1)-[n+]1c([nH]c2nc3ccccc3nc12)-c1cccc(Br)c1
BDBM58040 [O-][N+](=O)c1cccc(NN=C(C(=O)c2ccc(Br)cc2)C(=O)C(F)(F)F)c1 |w:9.8|
BDBM57764 CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1
BDBM58070 COCCCN1C(=S)S\C(=C\c2nc(C#N)c(Nc3ccc(C)cc3)o2)C1=O
BDBM58157 CCOc1ccc(NC(=S)NNC(=S)Nc2cccc(c2)C(F)(F)F)cc1
BDBM58193 [O-][N+](=O)c1cc(cc(c1NCCNC(=S)Nc1ccc(Cl)c(Cl)c1)[N+]([O-])=O)C(F)(F)F
BDBM58233 NC(=S)C(=NNc1ccc(OC(F)(F)F)cc1)C#N |w:4.4|
BDBM57782 CCOc1c(OC(C)=O)ccc(\C=C2/SC(=S)N(CC=C)C2=O)c1[N+]([O-])=O
BDBM57123 CC(=O)C(Nc1ccc(Cl)cc1Cl)=NNc1cccc(Cl)c1 |w:13.14|
BDBM56597 Nc1c(c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1)-c1ccccc1
BDBM61821 CC1CCN(CC(O)COc2ccccc2C)CC1
BDBM61822 [O-][N+](=O)c1cccc2c(ccnc12)N1CCOCC1
BDBM61823 CC(SC(=S)N1CCCC1)C(O)=O
BDBM61828 [O-][N+](=O)c1cnc(NC(=O)COc2ccc(Cl)cc2)s1
BDBM61835 Fc1ccc2SCCC(=NNc3ccccn3)c2c1 |w:9.9|
BDBM61843 OC(=O)c1ccc(OCc2cn3ccccc3n2)cc1
BDBM61844 C(Sc1nc2ncncc2[nH]1)c1ccccc1
BDBM61818 Cc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O
BDBM61819 COCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCc2ccccc12
BDBM61820 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCC1
BDBM61824 Cc1nc(O)c(N=Nc2ccccc2C(O)=O)n1-c1ccccc1 |w:6.5|
BDBM61825 Cc1cccc2c(N)c3CCCCc3nc12
BDBM61826 CC(Nc1ccccc1)c1cccnc1
BDBM61827 NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1
BDBM61829 COc1ccc(cc1OC)-n1nnnc1SCC(=O)NCCc1ccccc1
BDBM61830 Cc1ccc(cc1)C(=O)n1nc(-n2cccc2)c2c(C)cc(C)nc12
BDBM61831 NNc1snc(Cl)c1C#N
BDBM61832 CN(C)c1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
BDBM61833 O=C(\C=C\c1cn(nc1-c1cccnc1)-c1ccccc1)N1CCCC1
BDBM61834 OC1(CS\C(=N/c2cccnc2)N1Cc1ccco1)c1ccc(OC(F)F)cc1
BDBM61836 FC(F)Oc1ccc(C=NNC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
BDBM61837 CCCOc1ccc(CN=Nc2ccc(cc2)C(O)=O)c(OCCC)c1 |w:9.8|
BDBM61838 CCn1c2ccccc2c2cc(NC(=O)CN(C)CC(=O)Nc3ccc(cc3)N3CCOCC3)ccc12
BDBM61839 COc1cc(cc(O)c1O)C(=S)N1CCN(CC1)c1ccccc1Cl
BDBM61840 COc1ccc(COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)cc1F
BDBM61841 COC(=O)C(=C\c1cn(C(C)=O)c2ccccc12)\[N+]([O-])=O
BDBM61842 Cc1sc2nc(SCc3ccc(cc3)C(O)=O)n(Cc3ccco3)c(=O)c2c1C
BDBM61845 Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O
BDBM61846 CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc3cn[nH]c3c2)s1
BDBM61847 [O-][N+](=O)c1ccc(nc1)N1CCC(CC1)C(=O)c1ccc(F)cc1F
BDBM61848 Nc1sc(cc1-c1n[nH]c(=S)n1C1CCCCC1)-c1ccccc1
BDBM61778 CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(cc1)N(CC)CC
BDBM61779 CN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12
BDBM61780 Oc1ccccc1Cn1c(nc2ccccc12)-c1ccccc1O
BDBM61781 Oc1cccc(c1)-c1cc(no1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM61782 CCC(C)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccc1
BDBM61783 Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)cc1Cl
BDBM61784 CC(C)c1ccc2=NC(=O)C(NNC(=O)c3cccc(c3)S(=O)(=O)Nc3cccc(Cl)c3)=c2c1 |c:33,t:6|
BDBM61785 COc1ccccc1Oc1ccc(cc1[N+]([O-])=O)-c1cnc2ccccc2n1
BDBM61786 CC(C)(C)NC(=O)C(N(C(=O)Cn1nnc(n1)-c1ccc(F)cc1)c1ccccc1F)c1ccc(O)cc1
BDBM61787 Cc1ccccc1OCC(O)CN1CCN(CC(O)COc2ccccc2C)CC1
BDBM61788 Cn1cc(c(n1)C(=O)Nc1ccc(cc1)C1CCCCC1)[N+]([O-])=O
BDBM61805 Cc1cccc(C)c1OCC(O)CNC(C)(C)C
BDBM61789 CC1CC(C)CN(CCCNC(=O)c2cc3c(n2C)c2ccccc2[nH]c3=O)C1
BDBM61790 CC(C)C1CCC(C)CC1OCC(O)CNC(C)c1ccccc1
BDBM61791 OC(CNC1Cc2ccccc2C1)COc1ccc(Cl)cc1
BDBM61793 CCCc1cc(-c2n[nH]cc2-c2ccc(o2)C(=O)OCC)c(O)cc1O
BDBM61794 CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1
BDBM61795 Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2CC=C)CC1
BDBM61796 CN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
BDBM61797 CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1 |t:20|
BDBM61798 COc1ccc(NC(=O)c2c(OC)cccc2OC)c(OC)c1
BDBM61799 Fc1c(F)c(F)c(C(=O)Nc2ccccc2Cl)c(F)c1F
BDBM61800 CCN(CC)CC(O)Cn1c2ccccc2c2ccccc12
BDBM61801 COc1ccc(NC(=S)NC(NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
BDBM61802 COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1
BDBM61803 OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
BDBM61804 O=C(Nc1sc2CCCCc2c1-c1nc2ccccc2[nH]1)C1CC1
BDBM61806 COc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc23)cc1
BDBM61807 Cc1cc2N(C(=O)CSC3=NCCS3)C(C)(C)c3ssc(=S)c3-c2cc1C |t:9|
BDBM61808 Oc1c2CC=CCc2c(O)n1-c1ccc(NCCc2ccc(O)cc2)c(c1)[N+]([O-])=O |c:4|
BDBM61809 Fc1ccc(Nc2c(nc3ccccn23)-c2ccco2)cc1
BDBM61810 FC(F)S(=O)(=O)c1cccc(NC(=S)N2CCN(CC2)c2cccc(Cl)c2)c1
BDBM61811 CCc1cc[n+](cc1)[C-](C(=S)Nc1cccc(C)c1)C(=O)c1ccc(C)c(c1)[N+]([O-])=O
BDBM61812 CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O
BDBM61813 Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
BDBM61814 COc1ccc(cc1)N1CCN(CC(O)COc2ccccc2[N+]([O-])=O)CC1
BDBM61815 [O-][N+](=O)c1ccc(cc1)N1CCC2(CC1)OCC1O[N-][C+](C1CO2)C(=O)N\N=C\c1ccc(Cl)cc1
BDBM61816 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3nnc(s3)C3CC3)c2c1
BDBM61817 [O-][N+](=O)c1cc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3CCc4cccc2c34)ccc1Cl |w:7.7|
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BDBM82286 [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#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]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#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]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
BDBM82288 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:56.59,55.56,31.32,8.17,73.74,20.21,93.94,wD:47.48,39.40,4.4,62.63,82.83,48.50,2.2,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;42.36,-.86,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
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BDBM86732 CC(C)n1c2CCCCc2c2cc(NC(=O)N(C)CCc3ccncc3)ccc12
BDBM86733 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |t:8|
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BDBM50046558 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
BDBM50046559 CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)[C@H](C)CC)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
BDBM50046540 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
BDBM50049741 CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50049742 CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50049743 CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50049744 CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50049745 CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50049746 CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50060720 Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(CC2)N2CCCCC2)c2ccccc12
BDBM50060721 Cn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc12
BDBM50060722 Cn1c(COc2ccc(Cl)cc2)c(C(=O)CN2CCC(CC2)N2CCCCC2)c2ccccc12
BDBM50060723 Cn1c(COc2ccc(Cl)cc2)c(C(=O)C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
BDBM50060724 Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC2CCNCC2)cc1
BDBM50060725 Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@@H]2CCCNC2)cc1
BDBM50060726 Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@H]2CCCNC2)cc1
BDBM50060727 Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc12
BDBM50060728 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
BDBM50060729 Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(CC2)N2CCCCC2)c2ccccc12
BDBM50060730 Clc1ccc(OCc2c(CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCN2CCCCC2)cc1
BDBM50060731 Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
BDBM50065469 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
BDBM50091653 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091654 CC(C)C[C@@H](CN[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O
BDBM50091656 CC(C)C[C@H](NC[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091657 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@H](CN[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C
BDBM50091658 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091659 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091660 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091661 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091662 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091663 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091664 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(N)=O
BDBM50091665 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091666 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091667 CC(C)C[C@@H](CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O
BDBM50091668 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091669 CC(C)C[C@@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O
BDBM50091670 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091671 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091672 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091673 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091674 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091675 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091676 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50091677 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091679 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091680 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O
BDBM50091681 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091682 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091650 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091684 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091685 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091686 CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(C)C)[C@@H](C)O
BDBM50091687 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50091651 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50090272 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1
BDBM50090274 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1
BDBM50090276 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1
BDBM50090277 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1
BDBM50090281 CC(NC(=O)C(CCCNC(N)=N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1
BDBM50090282 Oc1ccc2CN(CCCc2c1)C(=O)C(CCCNC(=N)NCCCc1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1
BDBM50090288 C[C@@H](NC(=O)C(CCCNC(N)=N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
BDBM50090271 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
BDBM50089038 Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:6.5,wD:9.9,(2.92,.42,;2.94,-1.13,;4.28,-1.89,;4.29,-3.44,;5.63,-4.22,;6.96,-3.45,;8.29,-4.21,;9.63,-3.44,;10.96,-4.22,;10.95,-5.76,;12.28,-6.54,;13.77,-6.13,;14.86,-7.21,;13.98,-8.47,;15.7,-5.91,;16.12,-8.05,;17.24,-7,;18.73,-7.45,;19.09,-8.94,;17.97,-9.99,;18.33,-11.48,;17.22,-12.56,;15.73,-12.11,;15.38,-10.62,;16.49,-9.56,;9.62,-6.51,;8.29,-5.75,;2.95,-4.23,;1.61,-3.45,;.26,-4.23,;-1.07,-3.46,;-1.07,-1.9,;.26,-1.13,;1.61,-1.9,)|
BDBM50091995 Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
BDBM50101531 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1
BDBM50101532 CCN(c1ccccc1)c1ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1
BDBM50101533 CC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101536 C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101537 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
BDBM50101540 C[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101542 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)cc1
BDBM50101544 COc1ccc(CC(C)N(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
BDBM50101546 CCC(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101548 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1
BDBM50101549 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1
BDBM50101552 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
BDBM50101556 CCn1c2ccccc2c2cc(NC(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc12
BDBM50101557 CC(Cc1ccc(F)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101559 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc(c2)[N+]([O-])=O)cc1
BDBM50101562 CN(C(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50099197 CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
BDBM50099199 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
BDBM50099200 CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50099201 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50099202 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50099203 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
BDBM50135638 CCCCc1ccccc1N(CCCN(C)C)C(=O)c1cc2ccccc2s1
BDBM50135639 CN(C)CCCN(C(=O)c1cc2ccccc2o1)c1ccccc1SCc1ccccc1
BDBM50135640 CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1SCc1ccccc1
BDBM50135641 CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1Cc1ccccc1
BDBM50135642 CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
BDBM50135643 CN(C)CCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
BDBM50135644 CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1NC(=O)c1ccccc1
BDBM50135645 CN(C)CCCN(C(=O)\C=C\c1ccccc1)c1ccccc1SCc1ccccc1
BDBM50135646 CN(C)CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1
BDBM50135647 CC(C(=O)N(CCCN(C)C)c1ccccc1SCc1ccccc1)c1ccccc1
BDBM50135648 CNCCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
BDBM50135649 CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1CCc1ccccc1
BDBM50135650 CN(C)CCCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
BDBM50135651 CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1-c1ccccc1
BDBM50140478 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCC2)CC1)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
BDBM50140479 FC(F)(F)C(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140480 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\C=C\c1ccccc1
BDBM50140481 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cc[n+]([O-])cc1
BDBM50140482 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1C(F)(F)F
BDBM50140483 CC(=O)CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140484 CC(=O)N1CCc2ccc(cc12)N(C\C=C\c1ccccc1)C1CCN(Cc2ccccc2)CC1
BDBM50140485 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cc(Cl)cc(Cl)c1
BDBM50140486 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCCc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140487 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cccc(c1)C#N
BDBM50140488 O=C(\C=C\c1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccc2CCNc2c1
BDBM50140489 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccsc1
BDBM50140490 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccncc1
BDBM50140491 CCOC(=O)C(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140492 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cccc(F)c1
BDBM50140493 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\C1N=CC=N1 |c:35,37|
BDBM50140494 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCCC2)CC1)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
BDBM50140495 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140496 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)C1)C(=O)\C=C\c1ccccc1
BDBM50140497 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)C=C
BDBM50140498 CC(=O)N1CCCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140499 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccc(Cl)cc1
BDBM50140500 O=CN1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140501 CN1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140502 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)C#Cc1ccccc1
BDBM50140503 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cccc(Br)c1
BDBM50140504 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)CCc1ccccc1
BDBM50140505 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cccc(C)c1
BDBM50140506 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCC2)CC1)C(=O)\C=C\c1cccc(c1)C#N
BDBM50140507 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F
BDBM50140508 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140509 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CC2CCCCC2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140510 CC(=O)N1CCc2ccc(cc12)N(C1CCCN(Cc2ccccc2)C1)C(=O)\C=C\c1ccccc1
BDBM50140457 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCCC2)CC1)C(=O)\C=C\c1ccc(Cl)cc1
BDBM50140458 CS(=O)(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140459 CC(=O)N1CCc2ccc(cc12)N(CCCNCc1ccccc1)C(=O)\C=C\c1ccccc1
BDBM50140460 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cc(F)cc(F)c1
BDBM50140461 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cc(C)cc(C)c1
BDBM50140462 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cccc(Cl)c1
BDBM50140463 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C/c1ccccc1
BDBM50140464 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCCC2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140465 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCC2)CC1)C(=O)\C=C\c1ccc(Cl)cc1
BDBM50140466 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cccnc1
BDBM50140467 CC(=O)N1CCc2ccc(cc12)N(CCCN(CC=C)Cc1ccccc1)C(=O)\C=C\c1ccccc1
BDBM50140468 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
BDBM50140469 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)\C=C\c1ccccc1
BDBM50140470 CC(=O)n1ccc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140471 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ccccn1
BDBM50140472 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CC1)C(=O)c1ccccc1)C(=O)\C=C\c1ccccc1
BDBM50140473 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)C\C=C\c1ccccc1
BDBM50140474 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cccc(c1)C(F)(F)F
BDBM50140475 CC(=O)N1CCc2ccc(cc12)N(C1CCN(CCC2CCCC2)CC1)C(=O)\C=C\c1ccccc1
BDBM50140476 O=C(\C=C\c1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccc2CC(=O)Nc2c1
BDBM50140477 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1cccc(c1)S(=O)C(F)(F)F
BDBM50145232 Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1
BDBM50145236 CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1
BDBM50145239 CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145242 CC(C)C(=O)N1CCC(CNc2nc-3c(CCOc4ccc(C)cc-34)s2)CC1
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50185367 CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:154.161,136.143,125.132,88.92,99.103,81.85,56.58,70.74,33.34,3.3,18.18,7.14,wD:143.150,111.116,44.45,(19.56,-19.66,;18.24,-18.88,;16.9,-19.64,;15.57,-18.87,;15.58,-17.32,;14.25,-16.54,;12.91,-17.3,;14.26,-15.01,;15.6,-14.25,;15.61,-12.71,;16.95,-11.95,;16.96,-10.41,;18.3,-9.65,;19.63,-10.43,;18.31,-8.11,;12.93,-14.23,;11.59,-14.99,;11.58,-16.53,;10.27,-14.2,;8.93,-14.96,;10.28,-12.67,;11.62,-11.91,;13.02,-12.54,;14.06,-11.39,;13.29,-10.05,;13.78,-8.59,;12.76,-7.43,;11.24,-7.73,;10.76,-9.2,;11.79,-10.37,;14.23,-19.63,;12.9,-18.84,;14.22,-21.16,;15.55,-21.94,;16.88,-21.18,;18.21,-21.96,;19.55,-21.2,;20.88,-21.98,;22.21,-21.22,;22.23,-19.69,;23.54,-22,;15.53,-23.48,;14.19,-24.24,;16.86,-24.26,;16.85,-25.8,;15.51,-26.56,;15.5,-28.1,;16.71,-28.8,;16.7,-30.21,;15.49,-30.9,;15.47,-32.44,;14.26,-30.19,;14.27,-28.79,;18.17,-26.58,;19.51,-25.82,;18.16,-28.11,;19.49,-28.9,;20.83,-28.14,;22.15,-28.92,;22.3,-30.46,;23.82,-30.79,;24.6,-29.45,;26.12,-29.14,;26.6,-27.67,;25.58,-26.51,;24.06,-26.82,;23.57,-28.29,;19.47,-30.44,;18.14,-31.2,;20.8,-31.21,;20.79,-32.75,;22.12,-33.54,;23.45,-32.78,;24.78,-33.55,;26.12,-32.79,;27.45,-33.57,;27.44,-35.11,;28.79,-32.81,;19.45,-33.51,;18.12,-32.73,;19.44,-35.06,;18.1,-35.81,;18.09,-37.35,;19.42,-38.13,;19.41,-39.67,;16.77,-35.03,;16.78,-33.49,;15.43,-35.79,;15.42,-37.33,;16.75,-38.11,;16.74,-39.65,;18.07,-40.43,;18.06,-41.97,;19.39,-42.75,;20.72,-41.99,;19.37,-44.29,;14.08,-38.09,;12.76,-37.31,;14.08,-39.63,;12.74,-40.39,;12.73,-41.93,;14.05,-42.71,;15.39,-41.95,;16.72,-42.73,;16.71,-44.26,;18.04,-45.04,;15.37,-45.02,;14.05,-44.24,;11.41,-39.61,;11.42,-38.07,;10.07,-40.37,;8.74,-39.59,;8.84,-38.05,;7.56,-37.19,;6.12,-37.73,;5.16,-36.53,;6.01,-35.24,;5.61,-33.74,;6.71,-32.66,;8.21,-33.06,;8.6,-34.57,;7.5,-35.65,;7.4,-40.35,;7.39,-41.89,;6.08,-39.57,;4.74,-40.33,;4.73,-41.87,;6.05,-42.65,;6.04,-44.18,;7.37,-44.97,;8.71,-44.21,;8.72,-42.66,;10.04,-44.99,;3.41,-39.55,;3.42,-38.01,;2.07,-40.31,;.75,-39.53,;-.59,-40.29,;-1.92,-39.51,;-3.26,-40.27,;.76,-37.99,;-.57,-37.21,;2.1,-37.23,;2.11,-35.69,;3.45,-34.93,;3.46,-33.39,;4.8,-32.63,;4.81,-31.09,;6.15,-30.33,;7.48,-31.11,;6.16,-28.8,;.78,-34.91,;-.55,-35.67,;.8,-33.37,;-.53,-32.59,;-1.87,-33.35,;-3.2,-32.58,;-3.18,-31.03,;-4.52,-30.26,;-5.85,-31.02,;-7.17,-30.24,;-5.86,-32.56,;-4.53,-33.33,;-.52,-31.05,;-1.85,-30.27,;.82,-30.3,)|
BDBM50185369 CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:88.92,56.58,wD:99.103,81.85,70.74,33.34,44.45,3.3,18.18,7.14,(1.08,-23.2,;1.08,-21.66,;2.42,-20.89,;2.42,-19.35,;1.08,-18.58,;1.08,-17.04,;2.42,-16.27,;-.25,-16.27,;-1.58,-17.04,;-2.92,-16.27,;-4.25,-17.04,;-5.59,-16.27,;-6.92,-17.04,;-6.92,-18.58,;-8.25,-16.27,;-.25,-14.73,;1.08,-13.96,;2.42,-14.73,;1.08,-12.42,;2.42,-11.65,;-.25,-11.65,;-1.58,-12.42,;-1.74,-13.96,;-3.25,-14.29,;-4.03,-12.96,;-5.54,-12.63,;-6.02,-11.17,;-4.99,-10.02,;-3.48,-10.33,;-2.99,-11.79,;3.75,-18.58,;3.75,-17.04,;5.08,-19.35,;5.08,-20.89,;3.75,-21.66,;3.75,-23.2,;2.42,-23.97,;2.42,-25.51,;1.08,-26.28,;-.25,-25.51,;1.08,-27.82,;6.42,-21.66,;7.75,-20.89,;6.42,-23.2,;7.75,-23.97,;7.75,-25.51,;6.42,-26.28,;5.21,-25.59,;4,-26.3,;4.01,-27.69,;2.67,-28.46,;5.22,-28.39,;6.42,-27.68,;9.09,-23.2,;9.09,-21.66,;10.42,-23.97,;11.75,-23.2,;11.75,-21.66,;13.09,-20.89,;14.49,-21.5,;15.53,-20.35,;14.76,-19.01,;15.23,-17.54,;14.19,-16.39,;12.67,-16.71,;12.2,-18.19,;13.24,-19.34,;13.09,-23.97,;13.09,-25.51,;14.42,-23.2,;15.76,-23.97,;15.76,-25.51,;14.42,-26.28,;14.42,-27.82,;13.09,-28.59,;11.75,-27.82,;11.75,-26.28,;10.42,-28.59,;17.09,-23.2,;17.09,-21.66,;18.42,-23.97,;19.76,-23.2,;21.09,-23.97,;22.43,-23.2,;23.76,-23.97,;19.76,-21.66,;21.09,-20.89,;18.42,-20.89,;18.42,-19.35,;17.09,-18.58,;17.09,-17.04,;15.76,-16.27,;15.76,-14.73,;14.42,-13.96,;13.09,-14.73,;14.42,-12.42,;19.76,-18.58,;21.09,-19.35,;19.76,-17.04,;21.09,-16.27,;22.43,-17.04,;23.76,-16.27,;23.75,-14.86,;24.96,-14.16,;26.17,-14.86,;27.51,-14.09,;26.18,-16.26,;24.97,-16.96,;21.09,-14.73,;22.43,-13.96,;19.76,-13.96,)|
BDBM50197023 COc1cc(ccc1N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:76.78,77.81,45.47,94.96,23.23,61.63,114.116,wD:69.71,33.34,12.12,83.85,53.55,103.105,(-10.19,-15.44,;-8.86,-16.2,;-7.52,-15.43,;-6.19,-16.19,;-4.87,-15.42,;-4.86,-13.88,;-6.2,-13.11,;-7.53,-13.88,;-8.87,-13.11,;-3.53,-16.18,;-3.53,-17.72,;-2.21,-15.4,;-.87,-16.16,;-.87,-17.7,;.46,-18.47,;.46,-20.01,;1.79,-20.78,;1.8,-22.32,;.45,-23.09,;3.11,-23.09,;.46,-15.39,;.46,-13.85,;1.79,-16.16,;3.13,-15.4,;3.13,-13.86,;4.46,-13.09,;5.87,-13.72,;6.9,-12.57,;6.13,-11.24,;4.62,-11.56,;4.46,-16.17,;4.46,-17.71,;5.79,-15.39,;7.12,-16.16,;7.12,-17.7,;8.45,-18.47,;9.79,-17.7,;11.12,-18.47,;11.12,-20.01,;12.43,-20.77,;9.79,-20.78,;8.45,-20.01,;8.45,-15.39,;8.45,-13.85,;9.78,-16.16,;11.12,-15.4,;11.12,-13.86,;12.45,-13.09,;12.45,-11.55,;13.79,-13.86,;12.45,-16.17,;12.45,-17.71,;13.78,-15.39,;15.11,-16.16,;15.11,-17.7,;16.44,-18.47,;17.77,-17.69,;16.44,-20.01,;16.44,-15.39,;16.44,-13.85,;17.78,-16.16,;19.12,-15.39,;19.12,-13.85,;20.44,-13.08,;20.44,-11.54,;21.78,-13.85,;20.44,-16.16,;20.44,-17.7,;21.78,-15.39,;23.11,-16.16,;23.11,-17.7,;24.44,-18.47,;21.77,-18.47,;24.44,-15.39,;24.44,-13.85,;25.77,-16.16,;27.11,-15.39,;27.11,-13.85,;25.77,-13.08,;28.43,-13.07,;28.44,-16.16,;28.44,-17.7,;29.77,-15.38,;31.1,-16.16,;31.1,-17.7,;32.43,-18.47,;32.43,-20.01,;33.76,-20.77,;33.76,-22.31,;32.43,-23.07,;35.1,-23.07,;32.43,-15.39,;32.43,-13.85,;33.76,-16.15,;35.1,-15.39,;35.1,-13.85,;36.43,-13.08,;36.43,-11.54,;35.1,-10.76,;37.77,-10.77,;36.43,-16.16,;36.43,-17.7,;37.76,-15.39,;39.09,-16.16,;39.09,-17.7,;40.42,-18.47,;40.42,-20.01,;41.76,-20.77,;41.76,-22.31,;40.42,-23.08,;43.09,-23.08,;40.42,-15.39,;40.42,-13.85,;41.76,-16.16,;43.09,-15.39,;43.09,-13.85,;44.42,-13.08,;45.76,-13.85,;47.09,-13.08,;47.09,-11.54,;48.42,-10.77,;45.76,-10.77,;44.42,-11.54,;44.42,-16.16,;45.76,-15.39,;44.42,-17.7,)|
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BDBM50197009 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:75.77,76.80,4.4,93.95,20.28,60.62,113.115,wD:68.70,8.17,30.39,82.84,52.54,102.104,(10.74,-29.55,;10.74,-31.09,;12.08,-31.86,;9.41,-31.86,;9.41,-33.4,;8.07,-34.16,;6.74,-33.39,;6.74,-31.85,;5.41,-34.16,;5.41,-35.7,;6.74,-36.47,;8.07,-35.7,;9.41,-36.47,;9.41,-38.01,;10.72,-38.77,;8.07,-38.78,;6.74,-38.01,;4.07,-33.39,;2.75,-34.18,;2.75,-35.72,;1.42,-33.41,;1.42,-31.87,;2.75,-31.1,;4.15,-31.73,;5.19,-30.58,;4.42,-29.25,;2.91,-29.57,;.08,-34.17,;-1.26,-33.4,;-1.26,-31.86,;-2.58,-34.17,;-2.58,-35.71,;-1.26,-36.48,;-1.26,-38.02,;.08,-38.79,;.09,-40.33,;-1.26,-41.09,;1.4,-41.09,;-3.92,-33.4,;-5.24,-34.19,;-5.24,-35.73,;-6.58,-33.42,;-6.58,-31.88,;-7.91,-31.11,;-9.24,-31.88,;-10.58,-31.12,;-9.24,-33.43,;-7.9,-34.19,;-7.9,-35.73,;10.74,-34.17,;10.74,-35.71,;12.07,-33.39,;13.4,-34.16,;13.4,-35.7,;14.73,-36.47,;16.06,-35.7,;14.73,-38.01,;14.73,-33.39,;14.73,-31.85,;16.07,-34.16,;17.4,-33.4,;17.4,-31.86,;18.73,-31.09,;18.73,-29.55,;20.07,-31.86,;18.73,-34.17,;18.73,-35.71,;20.06,-33.39,;21.39,-34.16,;21.39,-35.7,;22.72,-36.47,;20.06,-36.47,;22.72,-33.39,;22.72,-31.85,;24.06,-34.16,;25.39,-33.39,;25.39,-31.85,;24.06,-31.08,;26.72,-31.08,;26.72,-34.16,;26.72,-35.7,;28.05,-33.39,;29.38,-34.16,;29.38,-35.7,;30.71,-36.47,;30.71,-38.01,;32.05,-38.77,;32.05,-40.31,;30.71,-41.08,;33.39,-41.08,;30.71,-33.39,;30.71,-31.85,;32.05,-34.16,;33.39,-33.39,;33.39,-31.85,;34.72,-31.08,;34.72,-29.54,;33.38,-28.77,;36.05,-28.77,;34.72,-34.16,;34.72,-35.7,;36.05,-33.39,;37.38,-34.16,;37.38,-35.7,;38.71,-36.47,;38.71,-38.01,;40.04,-38.78,;40.04,-40.32,;38.71,-41.08,;41.38,-41.08,;38.71,-33.39,;38.71,-31.85,;40.04,-34.16,;41.38,-33.39,;41.38,-31.85,;42.71,-31.08,;44.04,-31.85,;45.38,-31.08,;45.38,-29.54,;46.71,-28.77,;44.04,-28.77,;42.71,-29.54,;42.71,-34.16,;44.04,-33.39,;42.71,-35.7,)|
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BDBM50210327 CSc1ncccc1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:32.33,68.70,83.85,103.105,11.11,52.54,wD:76.78,77.81,22.22,44.46,94.96,114.116,60.62,(-8.84,-20.26,;-10.17,-21.03,;-10.18,-22.57,;-11.51,-23.34,;-11.51,-24.88,;-10.17,-25.65,;-8.84,-24.88,;-8.84,-23.35,;-7.51,-22.58,;-7.51,-21.04,;-6.18,-23.35,;-4.84,-22.58,;-4.84,-21.04,;-3.51,-20.27,;-3.51,-18.73,;-2.18,-17.96,;-2.18,-16.42,;-.84,-15.65,;-3.51,-15.65,;-3.51,-23.35,;-3.51,-24.89,;-2.18,-22.58,;-.84,-23.35,;-.84,-24.89,;.49,-25.66,;1.97,-25.19,;2.86,-26.45,;1.94,-27.69,;.48,-27.2,;.49,-22.58,;.49,-21.04,;1.83,-23.35,;3.16,-22.58,;3.16,-21.04,;4.49,-20.27,;5.82,-21.04,;7.16,-20.28,;7.16,-18.73,;8.49,-17.96,;5.82,-17.96,;4.49,-18.74,;4.49,-23.35,;4.49,-24.89,;5.83,-22.58,;7.16,-23.35,;7.16,-24.89,;8.49,-25.66,;8.49,-27.2,;9.83,-24.89,;8.49,-22.58,;8.49,-21.04,;9.83,-23.35,;11.15,-22.56,;11.13,-21.02,;12.45,-20.23,;13.79,-20.98,;12.43,-18.69,;12.49,-23.31,;12.51,-24.85,;13.82,-22.52,;15.16,-23.28,;15.18,-24.82,;16.53,-25.57,;16.55,-27.11,;17.85,-24.78,;16.48,-22.49,;16.46,-20.95,;17.83,-23.24,;19.15,-22.45,;19.13,-20.91,;20.45,-20.12,;20.43,-18.58,;21.8,-20.87,;20.49,-23.2,;20.52,-24.74,;21.82,-22.41,;23.16,-23.17,;23.18,-24.71,;21.86,-25.49,;24.53,-25.46,;24.48,-22.38,;24.46,-20.84,;25.83,-23.13,;27.15,-22.34,;27.13,-20.8,;28.45,-20.01,;28.43,-18.47,;29.75,-17.68,;29.73,-16.14,;31.06,-15.36,;28.39,-15.39,;28.5,-23.09,;28.52,-24.63,;29.82,-22.3,;31.16,-23.06,;31.18,-24.6,;32.53,-25.35,;32.55,-26.89,;31.23,-27.67,;33.89,-27.64,;32.49,-22.27,;32.46,-20.73,;33.83,-23.02,;35.15,-22.23,;35.13,-20.69,;36.45,-19.9,;36.43,-18.36,;37.76,-17.57,;37.73,-16.03,;39.06,-15.25,;36.39,-15.28,;36.5,-22.98,;36.52,-24.52,;37.82,-22.19,;39.16,-22.94,;39.19,-24.48,;40.53,-25.24,;40.54,-26.77,;41.89,-27.52,;43.21,-26.74,;44.56,-27.49,;43.19,-25.19,;41.84,-24.44,;40.49,-22.16,;41.83,-22.91,;40.47,-20.62,)|
BDBM50249758 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
BDBM50249869 O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50264492 Cc1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(20.48,-8.99,;19.93,-10.43,;18.44,-10.83,;18.37,-12.37,;19.8,-12.91,;20.77,-11.72,;17.08,-13.21,;17.16,-14.75,;15.88,-15.58,;14.52,-14.88,;13.08,-15.44,;12.11,-14.24,;12.96,-12.95,;14.44,-13.35,;15.72,-12.52,;10.58,-14.32,;9.74,-13.01,;8.2,-13.1,;7.49,-14.47,;8.33,-15.77,;9.88,-15.69,;6.79,-15.85,;5.26,-15.61,;4.18,-16.7,;5.02,-14.08,;3.73,-13.24,;3.81,-11.7,;5.2,-10.99,;6.49,-11.84,;6.41,-13.38,)|
BDBM50264494 Cn1nnc(n1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(29.77,-38.49,;29.22,-39.92,;30.06,-41.21,;29.1,-42.41,;27.66,-41.87,;27.74,-40.33,;26.37,-42.71,;26.46,-44.24,;25.17,-45.08,;23.81,-44.38,;22.38,-44.93,;21.41,-43.73,;22.25,-42.45,;23.73,-42.85,;25.01,-42.02,;19.87,-43.81,;19.03,-42.51,;17.49,-42.6,;16.79,-43.97,;17.63,-45.26,;19.17,-45.19,;16.08,-45.34,;14.56,-45.1,;13.47,-46.19,;14.32,-43.57,;13.03,-42.73,;13.1,-41.19,;14.49,-40.49,;15.78,-41.34,;15.7,-42.88,)|
BDBM50264726 Clc1cc2nc([nH]c2cc1Cl)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265209 Clc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265265 FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265267 O=C1OC2(CCN(CC2)c2nc3cc(ccc3[nH]2)-c2ccccc2)c2ccccc12
BDBM50265298 COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50264444 Cc1nnc(o1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(6.6,-22.73,;6.06,-24.16,;6.9,-25.45,;5.93,-26.65,;4.5,-26.1,;4.57,-24.56,;3.21,-26.94,;3.29,-28.48,;2.01,-29.31,;.64,-28.62,;-.79,-29.17,;-1.76,-27.97,;-.92,-26.69,;.57,-27.08,;1.85,-26.25,;-3.29,-28.05,;-4.13,-26.75,;-5.67,-26.83,;-6.38,-28.2,;-5.54,-29.5,;-3.99,-29.42,;-7.08,-29.58,;-8.61,-29.34,;-9.69,-30.43,;-8.85,-27.81,;-10.14,-26.97,;-10.06,-25.43,;-8.67,-24.73,;-7.38,-25.57,;-7.47,-27.12,)|
BDBM50246646 CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7|
BDBM50281777 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
BDBM50281778 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
BDBM50281779 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50281775 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
BDBM50281776 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
BDBM50296881 COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F |r|
BDBM50312007 C(Cc1ccc(cc1)N=C1NCCS1)Nc1nc2ccccc2s1 |w:8.8|
BDBM50312042 C(Cc1ccc(cc1)N=C1N[C@@H](CCS1)c1ccccc1)Nc1nc2ccccc2s1 |r,w:8.8|
BDBM50301642 Fc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:17.21,wD:14.14,(31.68,5.18,;31.69,3.64,;33.02,2.88,;33.03,1.33,;31.69,.56,;30.36,1.33,;30.36,2.87,;29.03,3.64,;27.69,2.87,;26.36,3.64,;26.37,5.18,;25.04,5.95,;23.7,5.18,;22.37,5.95,;23.7,3.64,;22.37,2.86,;22.37,1.32,;23.7,.56,;25.03,1.32,;25.03,2.86,;24.62,-.69,;23.72,-1.95,;24.2,-3.41,;22.24,-1.48,;20.9,-2.25,;19.56,-1.48,;19.57,.06,;20.9,.83,;22.23,.07,;27.69,5.95,;29.02,5.19,)|
BDBM50301192 Cc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
BDBM50301193 CCc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
BDBM50309856 CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:115.119,108.110,102.107,86.87,70.76,42.47,25.25,8.12,128.133,144.148,168.174,179.185,198.204,wD:93.101,78.84,63.63,50.56,37.38,30.29,16.21,4.4,133.137,156.161,174.181,187.193,208.215,(-7.15,2.46,;-5.84,1.71,;-5.84,.16,;-4.52,-.61,;-4.52,-2.17,;-3.17,-2.95,;-1.85,-2.19,;-1.85,-.63,;-.5,-2.97,;-.5,-4.49,;-1.85,-5.26,;-3.2,-4.49,;-1.85,-6.79,;.81,-2.2,;2.17,-2.98,;2.17,-4.51,;3.49,-2.22,;3.49,-.67,;2.16,.09,;2.16,1.65,;3.51,2.43,;.85,2.41,;4.83,-3,;6.15,-2.24,;6.15,-.69,;7.5,-3.01,;7.5,-4.55,;8.83,-2.25,;10.16,-3.02,;10.16,-4.56,;11.49,-2.25,;11.42,-.71,;13.08,-.39,;13.89,-1.85,;12.75,-3.09,;12.94,-4.62,;11.71,-5.54,;14.36,-5.22,;15.59,-4.29,;14.54,-6.75,;15.96,-7.35,;17.19,-6.42,;16.15,-8.88,;14.92,-9.8,;13.5,-9.21,;13.31,-7.67,;12.27,-10.13,;17.57,-9.48,;17.75,-11.01,;16.52,-11.93,;19.17,-11.61,;20.4,-10.69,;20.22,-9.16,;21.44,-8.23,;22.86,-8.83,;21.26,-6.7,;19.36,-13.14,;20.78,-13.74,;22.01,-12.82,;20.96,-15.27,;22.39,-15.87,;22.57,-17.4,;21.34,-18.33,;23.95,-18.08,;25.2,-17.14,;26.4,-18.33,;25.65,-19.83,;23.98,-19.58,;22.82,-20.6,;21.36,-20.1,;23.12,-22.11,;21.96,-23.12,;20.5,-22.63,;19.34,-23.64,;20.2,-21.12,;24.58,-22.61,;24.88,-24.12,;23.72,-25.13,;26.34,-24.61,;27.49,-23.6,;27.19,-22.08,;25.73,-21.59,;28.35,-21.07,;26.63,-26.12,;28.09,-26.62,;29.25,-25.6,;28.39,-28.13,;27.17,-29.09,;28.02,-30.56,;29.65,-30.21,;29.84,-28.53,;31.14,-27.64,;31.14,-26.14,;32.51,-28.42,;33.81,-27.67,;33.81,-26.09,;35.11,-25.34,;36.4,-26.09,;36.4,-27.59,;32.51,-29.93,;33.88,-30.71,;35.18,-29.96,;33.88,-32.22,;32.52,-33.01,;32.52,-34.58,;35.2,-32.99,;36.54,-32.22,;36.54,-30.67,;37.86,-32.99,;37.82,-34.51,;39.48,-34.82,;40.27,-33.34,;39.12,-32.12,;39.29,-30.59,;38.07,-29.64,;40.71,-30,;40.91,-28.47,;41.94,-30.93,;43.36,-30.35,;43.56,-28.83,;44.98,-28.25,;46.2,-29.19,;47.63,-28.61,;45.99,-30.72,;44.58,-31.29,;-5.84,-2.93,;-5.84,-4.45,;-7.19,-2.15,;-8.5,-2.91,;-8.5,-4.43,;-9.85,-2.13,;-9.85,-.57,;-11.18,-2.89,;-12.53,-2.11,;-12.53,-.55,;-13.85,.21,;-13.85,1.77,;-12.5,2.54,;-12.5,4.06,;-13.82,4.83,;-11.14,4.84,;-13.85,-2.87,;-13.85,-4.39,;-15.2,-2.09,;-16.52,-2.85,;-16.52,-4.38,;-17.87,-5.15,;-17.89,-6.68,;-19.23,-7.43,;-20.56,-6.65,;-21.88,-7.42,;-20.54,-5.11,;-19.2,-4.36,;-17.87,-2.07,;-17.87,-.51,;-19.18,-2.83,;-20.53,-2.06,;-20.53,-.49,;-21.85,.27,;-21.84,1.82,;-23.15,2.6,;-24.49,1.84,;-25.82,2.61,;-24.5,.3,;-23.17,-.48,;-21.85,-2.82,;-21.85,-4.33,;-23.2,-2.04,;-24.51,-2.8,;-24.51,-4.32,;-23.2,-5.08,;-25.86,-2.02,;-25.86,-.46,;-27.19,-2.77,;-28.54,-2,;-28.54,-.44,;-29.86,-2.76,;-29.86,-4.28,;-31.21,-1.98,;-32.52,-2.74,;-32.52,-4.26,;-33.87,-5.04,;-33.87,-6.56,;-35.22,-4.26,;-33.87,-1.96,;-33.87,-.4,;-35.19,-2.72,;-36.54,-1.94,;-36.54,-.38,;-37.86,.38,;-37.86,1.94,;-36.5,2.71,;-36.5,4.24,;-37.82,5,;-35.15,5.01,;-37.86,-2.7,;-37.86,-4.22,;-39.21,-1.92,;-40.52,-2.68,;-40.52,-4.2,;-41.88,-4.98,;-42.06,-6.5,;-43.56,-6.8,;-44.32,-5.46,;-43.29,-4.33,;-41.88,-1.9,;-41.88,-.34,;-43.2,-2.66,;-44.55,-1.89,;-44.55,-.33,;-45.85,.44,;-45.83,2,;-47.17,2.77,;-48.5,2.02,;-49.83,2.78,;-48.51,.47,;-47.18,-.3,;-45.85,-2.64,;-47.2,-1.86,;-45.85,-4.17,)|
BDBM50309855 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#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]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50323040 CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
BDBM50330441 Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM50342721 COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 |(28.08,-21.34,;29.62,-21.32,;30.38,-19.98,;29.6,-18.65,;30.35,-17.31,;29.57,-15.98,;31.89,-17.31,;32.64,-15.97,;31.74,-14.71,;30.2,-14.71,;32.65,-13.46,;34.12,-13.94,;35.45,-13.17,;35.44,-11.63,;36.78,-10.86,;38.11,-11.63,;39.44,-10.86,;40.77,-11.64,;40.76,-13.17,;42.08,-13.95,;43.42,-13.2,;43.43,-11.66,;42.11,-10.87,;36.78,-13.94,;36.79,-15.49,;38.12,-16.26,;35.45,-16.26,;34.12,-15.49,;32.68,-18.62,;34.22,-18.59,;31.93,-19.96,)|
BDBM50343728 CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10|
BDBM50343729 Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40|
BDBM50352370 COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(C)(C)c2ccccc2)cc1Cl
BDBM50352371 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1
BDBM50352372 COC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccncc2)cc1)c1ccccc1
BDBM50352373 COC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccncc2)cc1F)c1ccccc1
BDBM50352374 COC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)c1ccccc1
BDBM50352375 COC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1F)c1ccccc1
BDBM50352376 COC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1C#N)c1ccccc1
BDBM50352377 COC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1C)c1ccccc1
BDBM50352378 COC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1)c1ccccc1
BDBM50352379 COC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1
BDBM50352380 CCC(CC)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(C(=O)OC)c1ccccc1
BDBM50352381 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)OC)c2ccccc2)c(F)c1
BDBM50352382 CCNC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1F)c1ccccc1
BDBM50352383 CCNC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1C#N)c1ccccc1
BDBM50352384 CCNC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1
BDBM50352385 CCNC(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1C#N)c1ccccc1
BDBM50352386 CCNC(=O)C(N1CCN(CC1)c1ccc(NC(=O)C(CC)CC)cc1F)c1ccccc1
BDBM50352387 CCNC(=O)C(N1CCN(CC1)c1ccc(NC(=O)C(CC)CC)cc1C#N)c1ccccc1
BDBM50352388 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1C#N)c1ccccc1
BDBM50352389 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1F)c1ccccc1
BDBM50352390 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccccc2)c(c1)C#N
BDBM50352391 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccccc2)c(F)c1
BDBM50352392 CCN(CC)C(=O)[C@H](N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1 |r|
BDBM50352393 CCN(CC)C(=O)[C@@H](N1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1 |r|
BDBM50346228 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)n(c1)C(F)F |r,c:3|
BDBM50354071 CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:7.6,wD:10.13,(6.6,-30,;5.27,-29.21,;5.29,-27.67,;6.84,-27.69,;6.08,-26.34,;3.97,-26.88,;3.99,-25.34,;2.66,-24.55,;1.31,-25.3,;-.01,-24.52,;.01,-22.97,;1.35,-22.21,;2.68,-23,;-1.32,-22.19,;-2.66,-22.95,;-4.03,-22.33,;-5.04,-23.43,;-4.3,-24.74,;-4.92,-26.21,;-6.42,-26.6,;-7.64,-25.66,;-7.67,-24.07,;-9.06,-23.55,;-9.31,-22.09,;-8.16,-21.14,;-6.77,-21.66,;-6.52,-23.12,;-2.83,-24.44,)|
BDBM50354072 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|
BDBM50354073 O=S(=O)(NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1)c1cccs1 |r,wU:5.4,wD:8.11,(42.05,-18.71,;40.51,-18.69,;41.3,-17.37,;39.18,-17.9,;39.2,-16.36,;37.88,-15.57,;36.53,-16.33,;35.21,-15.54,;35.23,-14,;36.57,-13.24,;37.9,-14.03,;33.9,-13.22,;32.56,-13.98,;31.2,-13.36,;30.19,-14.46,;30.93,-15.76,;30.31,-17.24,;28.81,-17.62,;27.6,-16.69,;27.56,-15.09,;26.18,-14.58,;25.93,-13.12,;27.07,-12.17,;28.47,-12.69,;28.71,-14.15,;32.39,-15.46,;40.49,-20.23,;41.73,-21.16,;41.24,-22.62,;39.69,-22.6,;39.24,-21.12,)|
BDBM50354076 COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:14.14,wD:17.21,(38.95,-3.6,;37.61,-2.84,;36.28,-3.62,;36.3,-5.16,;34.96,-5.95,;33.62,-5.18,;32.29,-5.96,;33.61,-3.64,;34.95,-2.87,;34.94,-1.33,;36.48,-1.32,;35.7,.01,;33.6,-.57,;33.59,.98,;32.25,1.74,;30.92,.96,;29.58,1.72,;29.58,3.26,;30.9,4.05,;32.24,3.28,;28.23,4.02,;26.91,3.24,;25.54,3.83,;24.55,2.71,;25.3,1.43,;24.71,-.06,;23.22,-.47,;21.99,.44,;21.93,2.03,;20.53,2.52,;20.26,3.98,;21.39,4.95,;22.79,4.45,;23.06,3,;26.76,1.75,)|
BDBM50373626 CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:14.14,wD:17.21,(3.32,-35.53,;3.32,-37.07,;4.66,-37.84,;4.65,-39.37,;5.97,-40.14,;7.31,-39.38,;7.31,-37.84,;5.98,-37.06,;8.64,-40.15,;9.98,-39.39,;8.64,-41.69,;1.99,-37.84,;1.99,-39.38,;.66,-37.07,;-.68,-37.84,;-.67,-39.38,;-2.01,-40.14,;-3.35,-39.37,;-3.34,-37.83,;-2.01,-37.06,;-4.68,-40.13,;-4.69,-41.67,;-6.02,-42.43,;-6.02,-43.97,;-7.36,-41.66,;-7.35,-40.12,;-8.68,-39.34,;-6.01,-39.35,)|
BDBM50368404 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50384197 OC(C1CCN(CC1)C(=S)Nc1ccc(cc1)N1CCCCC1)(c1ccccc1)c1ccccc1
BDBM50384198 COc1cccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)c1
BDBM50384199 CCOC(=O)c1cccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)c1
BDBM50384200 COc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1C(F)(F)F
BDBM50384201 CCS(=O)(=O)c1ccc(OC(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384202 CCN(CC)C(=O)c1ccc(OC(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384203 CS(=O)(=O)Nc1ccc(OC(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384204 COc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384205 CC(C)Oc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384206 OC(C1CCN(CC1)C(=S)Nc1ccc(OC(F)(F)F)cc1)(c1ccccc1)c1ccccc1
BDBM50384207 CCCc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384208 OC(C1CCN(CC1)C(=S)Nc1ccc(cc1)C(F)(F)F)(c1ccccc1)c1ccccc1
BDBM50384209 CCN(CC)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384210 OC(C1CCN(CC1)C(=S)Nc1ccc(cc1)N1CCCC1)(c1ccccc1)c1ccccc1
BDBM50384211 CCOC(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384212 CNC(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384213 CCNC(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384214 CN(C)C(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384215 CCN(CC)C(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384216 CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384217 CCN(CC)S(=O)(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384218 OC(C1CCN(CC1)C(=S)Nc1ccc(cc1)S(=O)(=O)N1CCCC1)(c1ccccc1)c1ccccc1
BDBM50384219 CCNS(=O)(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384220 CCN(CC)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1Cl
BDBM50384221 CCOc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1C#N
BDBM50384222 CC(C)Oc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1C#N
BDBM50384223 CCOc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)c(F)c1
BDBM50384224 CCOc1ccc(NC(=S)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc1
BDBM50384225 CCOC(=O)c1ccc(NC(=S)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc1
BDBM50384226 CCOc1ccc(NC(=S)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
BDBM50384227 CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccn2)cc1
BDBM50384228 CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccsc2)c2ccccc2)cc1
BDBM50384229 CCOc1ccc(NC(=S)N2CCC(CC2)C(O)(c2c(C)noc2C)c2ccccc2)cc1
BDBM50384230 CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccc(F)cc2)cc1
BDBM50384231 CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)cc1
BDBM50384232 COc1ccc(OC(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384233 CCOc1ccc(OC(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384234 CN(C)S(=O)(=O)c1ccc(OC(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384235 CCN(CC)S(=O)(=O)c1ccc(OC(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384236 OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)S(=O)(=O)N1CCCC1)(c1ccccc1)c1ccccc1
BDBM50384237 CS(=O)(=O)c1ccc(OC(=O)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384238 CN(C)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM50384239 CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
BDBM50408041 CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50408999 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50409214 CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50414446 CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
BDBM50414447 COc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)C)cc1Cl
BDBM50414448 COc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)C)cc1Cl
BDBM50414449 CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)c(Cl)c1
BDBM50414450 CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2cccc(c2)C(F)(F)F)c(Cl)c1
BDBM50414451 CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)c(Cl)c1
BDBM50414452 CN(C(=O)C(C)(C)C)c1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
BDBM50414453 CCC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
BDBM50414454 Clc1cc(NC(=O)C2CCCCC2)ccc1N1CCN(CC1)C(=O)c1ccccc1
BDBM50414455 CC1(CCCCC1)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
BDBM50414456 Clc1cc(NC(=O)C2CCCCO2)ccc1N1CCN(CC1)C(=O)c1ccccc1
BDBM50414457 Clc1cc(NC(=O)C2CCOCC2)ccc1N1CCN(CC1)C(=O)c1ccccc1
BDBM50414458 Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCN(CC1)C(=O)c1ccccc1
BDBM50414459 CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1)c1ccccc1
BDBM50414460 Clc1cc(NC(=O)Cc2ccccn2)ccc1N1CCN(CC1)C(=O)c1ccccc1
BDBM50414461 Clc1cc(NC(=O)C(c2ccccc2)c2ccccn2)ccc1N1CCN(CC1)C(=O)c1ccccc1
BDBM50414462 Cc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(CC1)C(=O)c1ccccc1
BDBM50414463 COc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(CC1)C(=O)c1ccccc1
BDBM50414464 CC(C)(C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1ccccc1
BDBM50414465 CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)c(Cl)c1)c1ccccc1
BDBM50414466 COc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
BDBM50414467 CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ncccc2C(F)(F)F)c(Cl)c1)c1ccccc1
BDBM50414468 COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
BDBM50414469 Clc1cc(NC(=O)Cc2ccccc2)ccc1N1CCN(CC1)C(=O)c1ccccc1
BDBM50414470 Cc1cccc(c1)C(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
BDBM50414471 CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(c1)C(F)(F)F)c1ccccc1
BDBM50414472 CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(F)c1)c1ccccc1
BDBM50414473 CC(C)(C(=O)Nc1ccc(cc1Cl)N1CCN(CC1)C(=O)c1ccccc1)c1ccccc1
BDBM50417471 CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
BDBM50417472 CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1
BDBM50417473 CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1
BDBM50417474 CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1
BDBM50417475 Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCC(CC1)N1CCCCC1
BDBM50417476 CC(C)(C(=O)Nc1ccc(N2CCC(CC2)N2CCCCC2)c(Cl)c1)c1ccccc1
BDBM50417477 Clc1cc(NC(=O)C2(CCC2)c2ccccc2)ccc1N1CCC(CC1)N1CCCCC1
BDBM50417478 Cc1cccc(c1)C(C)(C)C(=O)Nc1ccc(N2CCC(CC2)N2CCCCC2)c(Cl)c1
BDBM50417479 CC(C)(C(=O)Nc1ccc(N2CCC(CC2)N2CCCCC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
BDBM50417480 Clc1cc(NC(=O)C(c2ccccc2)c2ccccn2)ccc1N1CCC(CC1)N1CCCCC1
BDBM50417481 CCNC1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
BDBM50417482 CC(C)NC1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
BDBM50417483 CCCNC1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
BDBM50417484 CC(C)CNC1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
BDBM50417486 CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1ccccc1
BDBM50417487 Cc1cccc(c1)C(C)(C)C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1
BDBM50417488 CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
BDBM50417489 CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1ccccn1
BDBM50417490 CC(C)(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
BDBM50417491 Cc1ccnc(n1)C(C)(C)C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1
BDBM50417492 CCC(C(=O)Nc1ccc(N2CCC(CC2)NCC2CC2)c(Cl)c1)c1ncccn1
BDBM50417493 CC(C)(C(=O)Nc1ccc(N2CCC3(CCNC3)CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
BDBM50417494 CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1cccc(c1)C(F)(F)F
BDBM50417495 CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2F)c(Cl)c1
BDBM50417496 CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2cccc(F)c2)c(Cl)c1
BDBM50417497 CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccc(F)cc2)c(Cl)c1
BDBM50417498 CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(Cl)c1
BDBM50416459 FC(F)(F)c1ccc(Nc2nc(cs2)-c2ccccn2)cc1
BDBM50426596 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C(=O)CCCCCN)C(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:8.17,2.2,115.118,131.134,146.149,166.169,69.80,64.67,103.106,54.55,wD:41.43,30.39,20.28,4.4,123.126,139.142,140.145,157.160,177.180,85.88,94.97,64.66,54.56,c:61,(32.42,-36.47,;32.42,-34.93,;33.75,-34.16,;35.09,-34.93,;33.75,-32.62,;32.42,-31.85,;31.09,-32.62,;31.09,-34.16,;29.75,-31.85,;29.75,-30.31,;28.42,-29.54,;28.42,-28,;27.08,-27.23,;25.76,-28,;24.42,-27.23,;25.76,-29.54,;27.08,-30.31,;28.42,-32.62,;28.42,-34.16,;29.75,-34.93,;27.08,-34.93,;27.08,-36.47,;28.42,-37.24,;29.82,-36.61,;30.86,-37.75,;30.09,-39.09,;28.58,-38.77,;25.76,-34.16,;24.42,-34.93,;23.08,-34.16,;24.42,-36.47,;25.76,-37.24,;25.76,-38.78,;24.42,-39.55,;24.42,-41.09,;23.08,-41.86,;21.76,-41.09,;23.08,-43.4,;23.08,-37.24,;21.76,-36.47,;21.76,-34.93,;20.42,-37.24,;20.42,-38.78,;19.08,-36.47,;19.07,-34.9,;20.43,-34.11,;17.71,-34.12,;17.7,-32.54,;16.34,-31.76,;16.33,-30.19,;14.97,-29.41,;14.96,-27.83,;17.72,-37.27,;17.72,-38.84,;16.41,-36.53,;17.39,-35.41,;15.47,-34.83,;9.44,-32.24,;8.29,-33.21,;6.76,-32.84,;5.7,-33.96,;6.14,-35.43,;5.08,-36.55,;5.52,-38.02,;4.47,-39.13,;3.35,-38.07,;3.16,-39.93,;1.81,-39.19,;.49,-39.99,;1.77,-37.65,;3.09,-36.85,;3.05,-35.31,;4.36,-34.51,;4.32,-32.98,;2.97,-32.24,;2.94,-30.7,;1.66,-33.03,;1.7,-34.57,;.42,-36.92,;-.91,-37.72,;-.86,-39.25,;-2.25,-36.98,;5.82,-39.87,;5.86,-41.4,;7.14,-39.06,;8.49,-39.8,;8.52,-41.34,;7.21,-42.14,;7.24,-43.68,;5.93,-44.48,;5.96,-46.02,;9.8,-39,;9.77,-37.46,;11.15,-39.74,;11.19,-41.28,;9.87,-42.08,;9.91,-43.62,;11.26,-44.35,;11.29,-45.89,;9.98,-46.7,;12.54,-42.01,;12.57,-43.55,;13.85,-41.21,;13.82,-39.67,;12.47,-38.93,;12.43,-37.4,;11.08,-36.66,;11.04,-35.12,;9.69,-34.39,;15.13,-38.88,;16.49,-39.62,;15.09,-37.34,;35.09,-31.85,;35.09,-30.31,;36.41,-32.62,;37.75,-31.85,;37.75,-30.31,;39.08,-29.54,;40.42,-30.31,;39.08,-28,;39.08,-32.62,;39.08,-34.16,;40.42,-31.85,;41.75,-32.62,;41.75,-34.16,;43.09,-34.93,;43.09,-36.47,;44.42,-34.16,;43.09,-31.85,;43.09,-30.31,;44.42,-32.62,;45.75,-31.85,;45.75,-30.31,;47.08,-29.54,;47.08,-28,;48.41,-30.31,;47.08,-32.62,;47.08,-34.16,;48.41,-31.85,;49.76,-32.62,;49.76,-34.16,;48.41,-34.93,;51.08,-34.93,;51.08,-31.85,;51.08,-30.31,;52.42,-32.62,;53.74,-31.85,;53.74,-30.31,;55.08,-29.54,;55.08,-28,;56.42,-27.23,;56.42,-25.7,;55.08,-24.93,;57.74,-24.93,;55.08,-32.62,;55.08,-34.16,;56.42,-31.85,;57.74,-32.62,;57.74,-34.16,;59.08,-34.93,;59.08,-36.47,;57.74,-37.24,;60.41,-37.24,;59.08,-31.85,;60.41,-32.62,;59.08,-30.31,;60.41,-29.54,;60.41,-28,;61.75,-27.23,;61.75,-25.7,;63.08,-24.93,;63.08,-23.39,;61.75,-22.62,;64.42,-22.62,;61.75,-30.31,;61.75,-31.85,;63.08,-29.54,;64.42,-30.31,;64.42,-31.85,;65.75,-32.62,;67.08,-31.85,;68.41,-32.62,;68.41,-34.16,;69.75,-34.93,;67.08,-34.93,;65.75,-34.16,;65.75,-29.54,;67.08,-30.31,;65.75,-28,)|
BDBM50423655 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]C1([#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-2-c3ccccc3-[#7]-[#6](=O)-c3ccccc-23)[#6]-[#6]-[#6]-[#6]1)-[#6](=O)-[#7]-[#6]-[#6]-n1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r|
BDBM50441962 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#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](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50442562 NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.15|
BDBM50442563 NCCCCCCNC(=O)NC(N)=NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r,w:13.13|
BDBM50442564 NCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:25.25|
BDBM50442565 NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:34.34|
BDBM50442566 NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:29.29|
BDBM50442567 NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:24.24|
BDBM50442571 NCCCOCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:29.29|
BDBM50442572 NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:19.19|
BDBM50442573 NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:88.91|
BDBM50442574 [#7]-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1)-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 |r|
BDBM50442575 NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:88.91|
BDBM50442576 [#7]-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1)-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 |r|
BDBM50442577 NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50441953 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:91.94,87.88,30.39,8.17,2.2,45.46,53.54,61.62,76.77,wD:95.97,106.108,20.28,4.4,62.64,69.70,70.73,(20.13,-29.15,;20.13,-27.61,;21.47,-26.84,;22.8,-27.61,;21.47,-25.3,;20.13,-24.53,;18.8,-25.3,;18.8,-26.84,;17.47,-24.53,;17.47,-22.98,;18.8,-22.21,;20.12,-22.98,;21.47,-22.21,;21.46,-20.67,;22.8,-19.89,;20.11,-19.9,;18.8,-20.68,;16.13,-25.29,;14.79,-24.53,;14.79,-22.98,;13.46,-25.29,;13.46,-26.83,;14.79,-27.6,;16.21,-26.98,;17.23,-28.12,;16.47,-29.46,;14.96,-29.14,;12.13,-24.51,;10.8,-25.29,;10.8,-26.83,;9.46,-24.51,;9.46,-22.97,;10.8,-22.2,;10.8,-20.67,;12.13,-19.89,;12.13,-18.35,;10.8,-17.58,;13.47,-17.58,;8.12,-25.29,;6.78,-24.51,;5.46,-25.28,;6.78,-22.97,;22.8,-24.54,;22.8,-22.99,;24.14,-25.3,;25.47,-24.54,;25.47,-22.99,;26.81,-22.22,;28.14,-22.99,;26.81,-20.68,;26.81,-25.31,;26.81,-26.85,;28.14,-24.54,;29.47,-25.31,;30.8,-24.54,;30.8,-23,;32.14,-22.22,;29.48,-22.23,;29.47,-26.85,;28.14,-27.62,;30.8,-27.62,;30.8,-29.16,;32.14,-29.93,;32.14,-31.47,;33.47,-29.16,;34.81,-29.93,;29.47,-29.93,;28.13,-29.16,;29.47,-31.93,;27.73,-32.93,;26.47,-32.05,;26.6,-30.51,;25.07,-32.7,;27.38,-34.9,;25.89,-35.3,;28.66,-36.44,;30.18,-36.17,;30.87,-34.29,;32.75,-33.61,;33.93,-34.6,;35.38,-34.08,;36.55,-35.07,;38,-34.55,;36.29,-36.59,;31.17,-37.35,;30.64,-38.8,;32.68,-37.09,;33.98,-38.63,;35.5,-38.53,;36.09,-39.95,;34.91,-40.94,;33.6,-40.12,;32.18,-40.69,;30.96,-39.74,;31.95,-42.22,;30.53,-42.8,;29.31,-41.85,;29.53,-40.32,;28.32,-39.38,;26.89,-39.95,;25.67,-39,;24.25,-39.58,;25.89,-37.48,;30.31,-44.32,;28.88,-44.9,;31.52,-45.27,;31.3,-46.8,;29.88,-47.37,;29.66,-48.9,;28.23,-49.47,;28.02,-51,;29.23,-51.95,;29.01,-53.48,;30.65,-51.38,;30.87,-49.85,;32.52,-47.75,;32.31,-49.27,;33.95,-47.17,)|
BDBM50441954 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,95.96,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,106.107,(14.44,-25.37,;14.44,-23.83,;15.77,-23.06,;17.11,-23.83,;15.77,-21.52,;14.44,-20.75,;13.11,-21.52,;13.11,-23.06,;11.77,-20.75,;11.77,-19.21,;13.11,-18.44,;14.42,-19.22,;15.77,-18.45,;15.77,-16.9,;17.11,-16.13,;14.42,-16.14,;13.11,-16.91,;10.44,-21.52,;9.1,-20.75,;9.1,-19.21,;7.77,-21.52,;7.77,-23.06,;9.1,-23.83,;10.52,-23.21,;11.55,-24.35,;10.78,-25.69,;9.27,-25.37,;6.44,-20.75,;5.1,-21.52,;5.1,-23.06,;3.77,-20.75,;3.77,-19.21,;5.1,-18.44,;5.1,-16.9,;6.44,-16.13,;6.44,-14.59,;5.1,-13.82,;7.77,-13.82,;2.43,-21.52,;1.11,-20.75,;-.23,-21.52,;1.11,-19.21,;17.11,-20.75,;17.11,-19.21,;18.44,-21.52,;19.77,-20.75,;19.77,-19.21,;21.11,-18.44,;22.44,-19.21,;21.11,-16.9,;21.11,-21.52,;21.11,-23.06,;22.44,-20.75,;23.78,-21.52,;23.78,-23.06,;25.11,-23.83,;25.11,-25.37,;26.44,-23.06,;25.11,-20.75,;25.11,-19.21,;26.44,-21.52,;27.78,-20.75,;27.78,-19.21,;29.11,-18.44,;26.44,-18.44,;26.44,-16.9,;29.11,-21.52,;29.11,-23.06,;30.45,-20.75,;31.78,-21.52,;31.78,-23.06,;30.45,-23.83,;33.11,-23.83,;33.11,-20.75,;33.11,-19.21,;34.45,-21.52,;35.78,-20.75,;35.78,-19.21,;37.11,-18.44,;37.11,-16.9,;38.44,-16.13,;38.44,-14.59,;37.11,-13.82,;39.78,-13.82,;37.11,-21.52,;37.11,-23.06,;38.44,-20.75,;39.78,-21.52,;39.78,-23.06,;41.11,-23.83,;41.11,-25.37,;42.45,-23.06,;41.11,-20.75,;41.11,-19.21,;42.45,-21.52,;43.78,-20.75,;43.78,-19.21,;45.11,-18.44,;45.11,-16.9,;46.45,-16.13,;46.45,-14.59,;45.11,-13.82,;47.78,-13.82,;45.11,-21.52,;45.11,-23.06,;46.45,-20.75,;47.78,-21.52,;47.78,-23.06,;49.12,-23.83,;50.45,-23.06,;51.78,-23.83,;51.78,-25.37,;53.12,-26.14,;50.45,-26.14,;49.12,-25.37,;49.12,-20.75,;50.45,-21.52,;49.12,-19.21,)|
BDBM50441955 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,96.97,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,107.108,(19.2,-17.88,;19.2,-16.34,;20.54,-15.57,;21.87,-16.34,;20.54,-14.03,;19.2,-13.26,;17.86,-14.03,;17.86,-15.57,;16.54,-13.26,;16.54,-11.72,;17.86,-10.95,;19.2,-11.72,;20.54,-10.95,;20.54,-9.41,;21.87,-8.64,;19.2,-8.64,;17.86,-9.41,;15.2,-14.03,;13.87,-13.26,;13.87,-11.72,;12.53,-14.03,;12.53,-15.57,;13.87,-16.34,;15.27,-15.72,;16.3,-16.86,;15.53,-18.2,;14.03,-17.88,;11.2,-13.26,;9.87,-14.03,;9.87,-15.57,;8.53,-13.26,;8.53,-11.72,;9.87,-10.95,;9.87,-9.41,;11.2,-8.64,;11.2,-7.1,;9.87,-6.33,;12.53,-6.33,;7.2,-14.03,;5.87,-13.27,;4.53,-14.04,;5.86,-11.73,;21.87,-13.26,;21.87,-11.72,;23.2,-14.03,;24.53,-13.26,;24.53,-11.72,;25.87,-10.95,;27.21,-11.72,;25.87,-9.41,;25.87,-14.03,;25.87,-15.57,;27.21,-13.26,;28.54,-14.03,;28.54,-15.57,;29.87,-16.34,;29.87,-17.88,;31.2,-15.57,;29.87,-13.26,;29.87,-11.72,;31.2,-14.03,;32.54,-13.26,;32.54,-11.72,;33.88,-10.95,;31.2,-10.95,;31.2,-9.41,;33.88,-14.03,;33.88,-15.57,;35.2,-13.26,;36.54,-14.03,;36.54,-15.57,;35.2,-16.34,;37.87,-16.34,;37.87,-13.26,;37.87,-11.72,;39.21,-14.03,;40.54,-13.26,;40.54,-11.72,;41.87,-10.95,;41.87,-9.41,;43.21,-8.64,;43.21,-7.1,;41.87,-6.33,;44.54,-6.33,;41.87,-14.03,;41.87,-15.57,;43.21,-13.26,;44.54,-14.03,;44.54,-15.57,;45.88,-16.34,;45.88,-17.88,;44.54,-18.65,;47.21,-18.65,;45.88,-13.26,;45.88,-11.72,;47.21,-14.03,;48.54,-13.26,;48.54,-11.72,;49.88,-10.95,;49.88,-9.41,;51.21,-8.64,;51.21,-7.1,;49.88,-6.33,;52.54,-6.33,;49.88,-14.03,;49.88,-15.57,;51.21,-13.26,;52.54,-14.03,;52.54,-15.57,;53.87,-16.34,;55.21,-15.57,;56.55,-16.34,;56.55,-17.88,;57.88,-18.65,;55.21,-18.65,;53.87,-17.88,;53.88,-13.26,;55.21,-14.03,;53.88,-11.72,)|
BDBM50441963 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#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](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#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]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50441964 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]1C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]2C[C@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)C2(C)C)C1(C)C |r,wU:4.4,30.39,86.87,88.90,61.62,71.73,69.70,53.54,8.17,wD:62.64,103.104,20.28,2.2,75.76,45.46,92.93,(28.14,3.58,;26.8,2.79,;26.8,1.28,;28.14,.5,;25.45,.5,;24.13,1.26,;22.82,.5,;22.82,-1.03,;21.47,1.28,;21.47,2.84,;22.82,3.61,;24.15,2.81,;25.51,3.55,;25.52,5.11,;26.85,5.87,;24.18,5.88,;22.83,5.12,;20.15,.52,;18.81,1.29,;18.81,2.85,;17.49,.53,;17.49,-1,;16.14,-1.78,;15.96,-3.29,;14.44,-3.6,;13.68,-2.26,;14.73,-1.12,;16.14,1.3,;16.14,2.86,;17.49,3.64,;14.83,3.62,;14.83,5.18,;13.51,5.94,;13.51,7.49,;12.19,8.26,;12.19,9.8,;13.53,10.59,;10.87,10.56,;13.51,2.86,;12.17,3.63,;10.84,2.86,;12.17,5.18,;25.45,-1.03,;26.8,-1.81,;24.11,-1.81,;24.11,-3.36,;22.79,-4.13,;21.44,-3.35,;20.13,-4.11,;21.44,-1.79,;25.45,-4.14,;25.45,-5.66,;26.77,-3.38,;28.1,-4.14,;29.44,-3.37,;30.78,-4.15,;30.78,-5.7,;32.1,-3.38,;28.1,-5.68,;26.76,-6.45,;29.43,-6.45,;29.43,-8,;30.75,-8.76,;30.75,-10.31,;32.07,-8,;32.07,-6.48,;28.09,-8.77,;26.74,-8,;28.09,-10.3,;26.74,-11.07,;25.33,-10.68,;24.82,-12.11,;23.43,-12.78,;22.15,-11.92,;23.32,-14.31,;21.94,-14.99,;20.66,-14.13,;20.77,-12.59,;19.5,-11.73,;19.6,-10.2,;18.33,-9.34,;18.43,-7.8,;16.95,-10.01,;21.83,-16.52,;23.11,-17.38,;20.45,-17.2,;20.34,-18.73,;19.17,-19.74,;20.1,-20.9,;19.9,-22.42,;18.53,-23.1,;21.18,-23.28,;21.07,-24.82,;19.69,-25.49,;18.41,-24.63,;17.04,-25.31,;16.93,-26.84,;15.55,-27.52,;14.27,-26.65,;15.44,-29.05,;22.35,-25.68,;22.24,-27.21,;23.73,-25,;25.01,-25.86,;24.9,-27.4,;26.18,-28.25,;26.07,-29.79,;27.34,-30.65,;28.73,-29.99,;30,-30.86,;28.84,-28.45,;27.56,-27.59,;26.39,-25.19,;27.67,-26.05,;26.5,-23.65,;21.37,-19.92,;22.55,-18.93,;22.33,-21.11,;26.3,-12.64,;25.82,-14.1,;27.77,-13.09,)|
BDBM50441965 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#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]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#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]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#7])-[#6]-c1ccc(-[#8])cc1 |r|
BDBM50441966 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
BDBM50441967 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:96.99,88.90,92.96,69.70,73.76,30.39,8.17,2.2,45.46,62.64,wD:107.110,77.79,20.28,4.4,53.54,61.62,(15.59,-37.55,;15.59,-36.01,;16.93,-35.24,;18.27,-36.01,;16.93,-33.7,;15.59,-32.93,;14.27,-33.7,;14.27,-35.23,;12.93,-32.93,;12.93,-31.38,;14.27,-30.61,;15.59,-31.38,;16.94,-30.61,;16.93,-29.06,;18.26,-28.29,;15.58,-28.3,;14.27,-29.08,;11.6,-33.69,;10.26,-32.92,;10.26,-31.38,;8.93,-33.69,;8.93,-35.23,;10.26,-36,;11.67,-35.38,;12.7,-36.52,;11.93,-37.86,;10.42,-37.53,;7.59,-32.92,;6.26,-33.69,;6.26,-35.22,;4.93,-32.92,;4.93,-31.37,;6.26,-30.6,;6.26,-29.06,;7.6,-28.29,;7.6,-26.75,;6.26,-25.99,;8.93,-25.98,;3.59,-33.68,;2.25,-32.91,;.93,-33.68,;2.25,-31.37,;18.27,-32.93,;18.27,-31.39,;19.6,-33.7,;20.94,-32.93,;20.94,-31.39,;22.27,-30.62,;23.61,-31.39,;22.27,-29.08,;22.27,-33.71,;22.27,-35.24,;23.6,-32.94,;24.93,-33.71,;24.93,-35.25,;26.27,-36.02,;26.27,-37.56,;27.6,-35.25,;26.27,-32.94,;26.27,-31.4,;27.61,-33.71,;28.94,-32.94,;30.28,-33.71,;31.6,-32.94,;30.28,-35.25,;28.94,-36.02,;28.94,-31.4,;27.61,-30.63,;30.28,-30.63,;30.28,-29.09,;29.03,-28.19,;29.51,-26.72,;31.05,-26.72,;31.52,-28.19,;32.99,-28.66,;33.31,-30.17,;34.13,-27.63,;35.6,-28.12,;35.92,-29.62,;34.77,-30.65,;35.09,-32.16,;33.95,-33.19,;34.26,-34.7,;35.73,-35.17,;33.12,-35.73,;36.74,-27.09,;38.21,-27.56,;36.43,-25.58,;34.96,-25.1,;33.71,-26,;32.46,-25.1,;32.94,-23.63,;34.49,-23.63,;35.4,-22.39,;36.91,-22.63,;34.84,-20.95,;33.32,-20.71,;32.35,-21.9,;30.83,-21.66,;29.86,-22.86,;28.34,-22.63,;27.37,-23.82,;27.92,-25.25,;25.85,-23.58,;32.77,-19.27,;33.73,-18.07,;31.24,-19.03,;30.7,-17.59,;31.66,-16.4,;31.11,-14.96,;29.59,-14.71,;29.03,-13.28,;30.01,-12.08,;29.45,-10.65,;31.52,-12.32,;32.08,-13.76,;29.17,-17.35,;28.62,-15.91,;28.2,-18.55,)|
BDBM50441968 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1(C)C |r,wU:93.94,89.91,87.88,30.39,8.17,2.2,45.46,61.62,76.77,wD:104.105,20.28,4.4,53.54,62.64,69.70,70.73,(16.35,-26.48,;16.35,-24.94,;17.69,-24.17,;19.02,-24.94,;17.69,-22.63,;16.35,-21.86,;15.02,-22.63,;15.02,-24.17,;13.68,-21.86,;13.68,-20.32,;15.02,-19.55,;16.34,-20.31,;17.69,-19.54,;17.68,-18,;19.01,-17.22,;16.33,-17.23,;15.02,-18.01,;12.35,-22.63,;11.02,-21.86,;11.02,-20.32,;9.69,-22.63,;9.69,-24.17,;11.02,-24.94,;12.44,-24.32,;13.47,-25.46,;12.7,-26.8,;11.18,-26.48,;8.35,-21.86,;7.02,-22.63,;7.02,-24.17,;5.68,-21.86,;5.68,-20.32,;7.02,-19.55,;7.02,-18.01,;8.35,-17.24,;8.35,-15.7,;7.02,-14.93,;9.69,-14.93,;4.35,-22.63,;3.01,-21.86,;1.67,-22.63,;3.01,-20.32,;19.02,-21.86,;19.02,-20.32,;20.36,-22.63,;21.7,-21.86,;21.7,-20.32,;23.03,-19.55,;24.36,-20.32,;23.03,-18.01,;23.03,-22.63,;23.03,-24.17,;24.36,-21.86,;25.69,-22.63,;25.69,-24.17,;27.03,-24.94,;27.03,-26.48,;28.36,-24.17,;27.03,-21.86,;27.03,-20.32,;28.36,-22.63,;29.7,-21.86,;29.7,-20.32,;31.03,-19.55,;28.36,-19.55,;28.36,-18.01,;31.03,-22.63,;31.03,-24.17,;32.37,-21.86,;33.7,-22.63,;33.7,-24.17,;32.37,-24.94,;35.04,-24.94,;35.04,-21.87,;35.04,-20.32,;36.38,-22.63,;37.7,-21.87,;37.7,-20.32,;39.04,-19.55,;39.04,-18.01,;40.37,-17.24,;40.37,-15.7,;39.04,-14.93,;41.71,-14.93,;39.05,-22.64,;39.05,-24.17,;40.36,-21.88,;41.7,-22.65,;43.18,-22.32,;43.51,-23.86,;44.85,-24.63,;44.85,-26.17,;46.18,-23.86,;47.52,-24.63,;48.85,-23.86,;50.18,-24.63,;51.51,-23.86,;52.85,-24.63,;54.18,-23.86,;54.18,-22.32,;55.52,-24.63,;47.52,-26.17,;46.18,-26.95,;48.85,-26.95,;48.85,-28.49,;47.52,-29.25,;47.52,-30.79,;48.85,-31.57,;48.85,-33.11,;47.52,-33.88,;47.52,-35.42,;46.18,-33.11,;46.18,-31.57,;50.18,-29.25,;50.19,-30.79,;51.52,-28.48,;42.04,-24.17,;40.53,-24.53,;42.39,-25.67,)|
BDBM50441969 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:87.88,30.39,8.17,2.2,45.46,61.62,69.70,94.96,90.93,wD:20.28,4.4,53.54,62.64,70.73,76.77,105.107,(16.22,-29.76,;15.45,-28.43,;16.22,-27.09,;17.76,-27.09,;15.45,-25.76,;13.91,-25.76,;13.14,-27.09,;13.91,-28.43,;11.6,-27.09,;10.83,-25.76,;11.6,-24.42,;13.14,-24.42,;13.91,-23.09,;13.14,-21.76,;13.91,-20.42,;11.6,-21.76,;10.83,-23.09,;10.83,-28.43,;9.29,-28.43,;8.52,-27.09,;8.52,-29.76,;9.29,-31.09,;10.83,-31.09,;11.74,-29.84,;13.2,-30.32,;13.2,-31.86,;11.74,-32.34,;6.98,-29.76,;6.21,-31.09,;6.98,-32.43,;4.67,-31.09,;3.9,-29.76,;4.67,-28.43,;3.9,-27.09,;4.67,-25.76,;3.9,-24.42,;2.36,-24.42,;4.67,-23.09,;3.9,-32.43,;2.36,-32.43,;1.59,-33.76,;1.59,-31.09,;16.22,-24.42,;15.45,-23.09,;17.76,-24.42,;18.53,-23.09,;17.76,-21.76,;18.53,-20.42,;20.07,-20.42,;17.76,-19.09,;20.07,-23.09,;20.84,-24.42,;20.84,-21.76,;22.38,-21.76,;23.15,-23.09,;24.69,-23.09,;25.46,-24.42,;25.46,-21.76,;23.15,-20.42,;22.38,-19.09,;24.69,-20.42,;25.46,-19.09,;24.69,-17.76,;25.46,-16.42,;23.15,-17.76,;22.38,-16.42,;27,-19.09,;27.77,-20.42,;27.77,-17.76,;29.31,-17.76,;30.08,-16.42,;31.62,-16.42,;29.31,-15.09,;30.08,-19.09,;29.31,-20.42,;31.62,-19.09,;32.39,-20.42,;31.62,-21.76,;32.39,-23.09,;33.93,-23.09,;34.7,-24.42,;33.93,-25.76,;32.39,-25.76,;34.7,-27.09,;33.93,-20.42,;34.7,-19.09,;34.7,-21.76,;36.24,-21.76,;37.33,-20.67,;38.42,-21.76,;37.33,-22.85,;37.33,-24.39,;36,-25.16,;38.66,-25.16,;39.99,-24.39,;39.99,-22.85,;41.33,-22.07,;41.33,-20.53,;42.67,-19.76,;42.67,-18.22,;41.33,-17.45,;44,-17.45,;41.33,-25.16,;41.33,-26.7,;42.67,-24.39,;44,-25.16,;44,-26.7,;45.33,-27.47,;46.66,-26.7,;48,-27.47,;48,-29.01,;49.34,-29.78,;46.66,-29.78,;45.33,-29.01,;45.33,-24.39,;46.67,-25.16,;45.33,-22.85,)|
BDBM50442580 NCCOCCOCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.15|
BDBM50441956 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50441957 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50442543 NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50441958 C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
BDBM50441959 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50441960 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#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](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50441961 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#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](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50442545 CCC(=O)NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50442547 NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50442552 NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50442553 NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:29.29,86.89|
BDBM50442554 NCCN(CCNC(=O)CCCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:26.26,80.83|
BDBM50442556 NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:26.26,80.83|
BDBM50442557 NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:28.28,84.87|
BDBM50442559 NCCN(CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:17.17,62.65|
BDBM50435127 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:130.133,116.125,100.108,84.95,60.71,49.51,30.39,8.17,2.2,138.142,139.145,156.160,176.180,wD:125.129,108.116,95.99,72.84,54.58,41.47,20.28,4.4,145.149,167.171,187.191,(61.16,-21.04,;61.16,-19.5,;62.5,-18.73,;63.84,-19.5,;62.5,-17.19,;61.16,-16.42,;59.83,-17.19,;59.83,-18.73,;58.5,-16.42,;58.5,-14.88,;59.83,-14.11,;61.16,-14.88,;62.5,-14.11,;62.5,-12.57,;63.83,-11.8,;61.16,-11.8,;59.83,-12.57,;57.16,-17.19,;55.83,-16.42,;55.83,-14.88,;54.5,-17.19,;54.5,-18.73,;55.83,-19.5,;57.24,-18.87,;58.27,-20.01,;57.5,-21.34,;55.99,-21.02,;53.17,-16.42,;51.83,-17.19,;51.83,-18.73,;50.5,-16.42,;50.5,-14.88,;51.83,-14.11,;51.83,-12.57,;53.17,-11.8,;53.17,-10.26,;51.83,-9.49,;54.5,-9.49,;49.16,-17.19,;47.83,-16.42,;47.83,-14.88,;46.5,-17.19,;46.49,-18.73,;47.62,-19.78,;47.26,-21.28,;49.09,-19.34,;45.17,-16.42,;43.83,-17.19,;43.83,-18.73,;42.49,-16.42,;42.49,-14.88,;41.16,-17.19,;39.83,-16.42,;39.83,-14.88,;38.49,-17.19,;38.49,-18.73,;39.83,-19.5,;37.16,-16.42,;35.83,-17.19,;35.83,-18.73,;34.49,-16.42,;34.49,-14.88,;35.83,-14.11,;37.16,-14.88,;38.49,-14.11,;38.49,-12.57,;39.83,-11.8,;37.16,-11.8,;35.83,-12.57,;33.16,-17.19,;31.83,-16.42,;31.83,-14.88,;30.49,-17.19,;30.49,-18.73,;31.83,-19.5,;33.15,-18.73,;34.49,-19.5,;34.49,-21.03,;35.83,-21.8,;33.15,-21.8,;31.83,-21.03,;29.15,-16.42,;27.83,-17.19,;27.83,-18.73,;26.49,-16.42,;26.49,-14.88,;27.83,-14.11,;27.83,-12.57,;29.15,-11.8,;29.15,-10.26,;27.83,-9.49,;30.49,-9.49,;25.16,-17.19,;23.83,-16.42,;23.83,-14.88,;22.49,-17.19,;22.49,-18.73,;21.15,-16.42,;19.82,-17.19,;19.82,-18.73,;18.49,-16.42,;18.49,-14.88,;19.73,-13.96,;19.56,-12.43,;21.14,-14.58,;17.16,-17.19,;15.82,-16.42,;15.82,-14.88,;14.49,-17.19,;14.49,-18.73,;15.82,-19.5,;17.16,-18.73,;15.82,-21.04,;13.15,-16.42,;11.82,-17.19,;11.82,-18.73,;10.49,-16.42,;10.49,-14.88,;11.82,-14.11,;11.82,-12.57,;10.49,-11.8,;13.15,-11.8,;9.16,-17.19,;7.82,-16.42,;7.82,-14.88,;6.48,-17.19,;6.48,-18.73,;5.15,-16.42,;3.81,-17.19,;3.81,-18.73,;2.44,-16.49,;2.43,-14.94,;.78,-14.69,;.03,-16.2,;1.22,-17.37,;63.84,-16.42,;63.84,-14.88,;65.17,-17.19,;66.5,-16.42,;66.5,-14.88,;65.17,-14.11,;67.84,-14.11,;67.84,-17.19,;67.84,-18.73,;69.17,-16.42,;70.5,-17.19,;70.5,-18.73,;71.84,-19.5,;71.84,-21.04,;73.17,-21.81,;73.17,-23.35,;71.84,-24.12,;74.5,-24.12,;71.84,-16.42,;71.84,-14.88,;73.17,-17.19,;74.5,-16.42,;74.5,-14.88,;75.84,-14.11,;75.84,-12.57,;77.17,-11.8,;77.17,-10.26,;75.84,-9.49,;78.5,-9.49,;75.84,-17.19,;75.84,-18.73,;77.17,-16.42,;78.5,-17.19,;78.5,-18.73,;79.84,-19.5,;79.84,-21.04,;78.5,-21.81,;81.17,-21.81,;79.84,-16.42,;79.84,-14.88,;81.17,-17.19,;82.5,-16.42,;82.5,-14.88,;83.84,-14.11,;83.84,-12.57,;85.18,-11.8,;85.18,-10.26,;83.84,-9.49,;86.51,-9.49,;83.84,-17.19,;83.84,-18.73,;85.18,-16.42,;86.51,-17.19,;86.51,-18.73,;87.84,-19.5,;89.17,-18.73,;90.5,-19.5,;90.5,-21.03,;91.84,-21.8,;89.17,-21.8,;87.84,-21.03,;87.84,-16.42,;89.17,-17.19,;87.84,-14.88,)|
BDBM50437007 CCNC(=O)C(C1CCN(CC1)c1ccc(cc1F)C(=O)Nc1ccccc1-c1ccccc1)c1ccccc1
BDBM50437008 CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)Nc2c(C)noc2C)cc1F)c1ccccc1
BDBM50437009 CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)Nc2c(C)noc2C)cc1F)c1ccccc1
BDBM50437010 CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2c(C)noc2C)cc1F)c1ccccc1
BDBM50437011 CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1F)c1ccccc1
BDBM50437012 CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2Br)cc1F)c1ccccc1
BDBM50437013 CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2c(C)noc2C)cc1F)c1ccccc1
BDBM50437014 CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1
BDBM50437015 CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)Nc2c(C)cccc2C)cc1F)c1ccccc1
BDBM50437016 CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccsc2)cc1F)c1ccccc1
BDBM50437017 CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1F)c1ccccc1
BDBM50437018 CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1
BDBM50445664 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1c(C)noc1C)c1ccccc1
BDBM50445665 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2cccc(OC)c2)c(F)c1
BDBM50445666 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2cccc(Cl)c2)c(F)c1
BDBM50445667 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2cccc(F)c2)c(F)c1
BDBM50445668 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)C2(C)CCCCC2)cc1F)c1ccccc1
BDBM50445669 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)CC2CC2)cc1F)c1ccccc1
BDBM50445670 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)CC2CCCC2)cc1F)c1ccccc1
BDBM50445671 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)[C@H]2CCOC2)cc1F)c1ccccc1 |r|
BDBM50445672 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)C2CCCC2)cc1F)c1ccccc1
BDBM50445673 CC[C@H](C)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccccc2)c(F)c1 |r|
BDBM50445674 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)C2(CCCC2)c2ccccc2)cc1F)c1ccccc1
BDBM50445675 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cc1F)c1ccccc1
BDBM50445676 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)Nc2c(C)noc2C)cc1F)c1ccccc1
BDBM50445677 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)Cc2c(C)noc2C)cc1F)c1ccccc1
BDBM50445678 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2c(C)cnn2C(C)(C)C)cc1F)c1ccccc1
BDBM50445679 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2c(C)cnn2CC)cc1F)c1ccccc1
BDBM50445680 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(NC(=O)c2c(C)noc2C)cc1F)c1ccccc1
BDBM50445681 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)\C=C\c1ncc[nH]1
BDBM50445653 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2noc(CC)n2)c2ccccc2)c(F)c1
BDBM50445654 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2nnc(o2)C(C)C)c2ccccc2)c(F)c1
BDBM50445655 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2nc(no2)-c2ccccc2)c2ccccc2)c(F)c1
BDBM50445682 C\C=C\C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc2CCN(C(C)=O)c2c1
BDBM50445656 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2nc(no2)C(C)C)c2ccccc2)c(F)c1
BDBM50445657 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2nc(CC)no2)c2ccccc2)c(F)c1
BDBM50445683 CC(=O)N1CCc2ccc(cc12)N(CC#Cc1ccccc1)C1CCN(Cc2ccccc2)CC1
BDBM50445684 CC(=O)N1CCc2ccc(cc12)N(C\C=C/c1ccccc1)C1CCN(Cc2ccccc2)CC1
BDBM50445658 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2nc(C)no2)c2ccccc2)c(F)c1
BDBM50445659 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2ncno2)c2ccccc2)c(F)c1
BDBM50445685 CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM50445618 CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:68.69,84.84,106.108,122.124,131.134,138.140,139.143,156.158,176.178,22.22,26.31,35.40,44.53,wD:73.73,94.95,107.110,114.116,130.132,145.147,165.167,(41.62,-23.36,;40.29,-22.59,;38.95,-23.36,;37.62,-22.59,;36.28,-23.36,;34.95,-22.59,;33.62,-23.36,;32.28,-22.59,;30.95,-23.36,;29.62,-22.59,;28.28,-23.36,;26.95,-22.59,;25.62,-23.36,;24.28,-22.59,;22.95,-23.36,;21.61,-22.59,;21.61,-21.05,;20.28,-23.36,;20.28,-24.9,;18.95,-25.67,;18.95,-27.21,;17.61,-27.98,;17.61,-29.52,;16.28,-30.29,;14.95,-29.52,;14.95,-27.98,;13.61,-30.29,;12.28,-29.52,;10.94,-30.29,;9.61,-29.52,;8.28,-30.29,;6.94,-29.52,;13.61,-31.83,;14.95,-32.6,;16.28,-31.83,;14.95,-34.14,;13.61,-34.91,;13.61,-36.45,;12.28,-37.22,;12.28,-38.76,;10.94,-39.53,;16.28,-34.91,;17.61,-34.14,;17.61,-32.6,;18.95,-34.91,;18.95,-36.45,;17.61,-37.22,;16.29,-36.45,;14.95,-37.22,;14.95,-38.76,;13.62,-39.53,;16.3,-39.53,;17.62,-38.76,;20.28,-34.14,;21.61,-34.91,;22.95,-34.14,;21.61,-36.45,;18.95,-30.29,;18.95,-31.83,;20.28,-29.52,;21.61,-30.29,;22.95,-29.52,;24.28,-30.29,;25.62,-29.52,;26.95,-30.29,;28.28,-29.52,;28.28,-27.98,;29.62,-30.29,;30.95,-29.52,;30.95,-27.98,;32.28,-30.29,;32.28,-31.83,;33.62,-29.52,;34.95,-30.29,;34.95,-31.83,;36.28,-32.6,;36.28,-34.14,;37.62,-34.91,;37.62,-36.45,;36.28,-37.22,;38.95,-37.22,;36.28,-29.52,;36.28,-27.98,;37.62,-30.29,;38.95,-29.52,;38.95,-27.98,;40.29,-27.21,;41.7,-27.84,;42.72,-26.69,;41.96,-25.36,;40.45,-25.68,;40.29,-30.29,;40.29,-31.83,;41.62,-29.52,;42.95,-30.29,;42.95,-31.83,;44.29,-32.6,;45.61,-31.83,;46.96,-32.6,;46.95,-34.14,;48.29,-34.91,;45.61,-34.91,;44.29,-34.14,;44.29,-29.52,;44.29,-27.98,;45.62,-30.29,;46.95,-29.52,;46.95,-27.98,;48.29,-27.21,;45.62,-27.21,;45.62,-25.67,;48.29,-30.29,;48.29,-31.83,;49.62,-29.52,;50.95,-30.29,;50.95,-31.83,;52.29,-32.6,;53.62,-31.83,;52.29,-34.14,;52.29,-29.52,;52.29,-27.98,;53.62,-30.29,;54.96,-29.52,;54.96,-27.98,;56.29,-27.21,;56.29,-25.67,;57.62,-27.98,;56.29,-30.29,;56.29,-31.83,;57.62,-29.52,;58.96,-30.29,;58.96,-31.83,;60.29,-32.6,;57.62,-32.6,;57.62,-34.14,;60.29,-29.52,;60.29,-27.98,;61.62,-30.29,;62.96,-29.52,;62.96,-27.98,;61.62,-27.21,;64.29,-27.21,;64.29,-30.29,;64.29,-31.83,;65.63,-29.52,;66.96,-30.29,;66.96,-31.83,;68.29,-32.6,;68.29,-34.14,;69.63,-34.91,;69.63,-36.45,;68.29,-37.22,;70.96,-37.22,;68.29,-29.52,;68.29,-27.98,;69.63,-30.29,;70.96,-29.52,;70.96,-27.98,;72.29,-27.21,;72.29,-25.67,;70.96,-24.9,;73.63,-24.9,;72.29,-30.29,;72.29,-31.83,;73.63,-29.52,;74.96,-30.29,;74.96,-31.83,;76.29,-32.6,;76.29,-34.14,;77.63,-34.91,;77.63,-36.45,;76.29,-37.22,;78.96,-37.22,;76.29,-29.52,;76.29,-27.98,;77.63,-30.29,;78.96,-29.52,;78.96,-27.98,;80.3,-27.21,;81.63,-27.98,;82.96,-27.21,;82.96,-25.67,;84.3,-24.9,;81.63,-24.9,;80.3,-25.67,;80.3,-30.29,;81.63,-29.52,;80.3,-31.83,)|
BDBM50445619 CCC(=O)NCCNC(=O)CCCC(=O)NC(=N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r|
BDBM50445620 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1noc(CF)n1)c1ccccc1
BDBM50445621 CCC(CC)c1nc(no1)-c1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccccc2)c(F)c1
BDBM50445622 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1noc(n1)C(C)(C)C)c1ccccc1
BDBM50445623 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1noc(n1)C1CC1)c1ccccc1
BDBM50445624 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1noc(CC)n1)c1ccccc1
BDBM50445625 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1nc(C)ns1)c1ccccc1
BDBM50445626 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1cc(C)[nH]n1)c1ccccc1
BDBM50445627 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1ncc(CC)o1)c1ccccc1
BDBM50445628 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1cc(=O)n([nH]1)C(C)C)c1ccccc1
BDBM50445629 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1nc(C(C)C)n(C)n1)c1ccccc1
BDBM50445630 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1nnc([nH]1)C(C)C)c1ccccc1
BDBM50445631 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1nnc(o1)C(C)C)c1ccccc1
BDBM50445632 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1noc(n1)C(C)C)c1ccccc1
BDBM50445633 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1nc(no1)C(C)C)c1ccccc1
BDBM50445634 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1nc(C)no1)c1ccccc1
BDBM50445635 CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)Cc2c(C)noc2C)cc1F)c1ccccc1
BDBM50445636 CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)C2CCOC2)cc1F)c1ccccc1
BDBM50445637 CCC(CC)C(=O)Nc1ccc(N2CCC(CC2)C(C(=O)N(CC)CC)c2ccccc2)c(F)c1
BDBM50445638 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccc(F)cc2F)c(F)c1
BDBM50445639 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccc(F)c(F)c2)c(F)c1
BDBM50445640 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccc(O)cc2)c(F)c1
BDBM50445641 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccc(OC(F)(F)F)cc2)c(F)c1
BDBM50445642 CCOc1ccc(cc1)C(N1CCN(CC1)c1ccc(NC(=O)C(CC)CC)cc1F)C(=O)N(CC)CC
BDBM50445643 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccc(OC)cc2)c(F)c1
BDBM50445644 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccc(cc2)C#N)c(F)c1
BDBM50445645 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccc(Cl)cc2)c(F)c1
BDBM50445646 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C(=O)N(CC)CC)c2ccc(F)cc2)c(F)c1
BDBM50445647 CN(C)CCCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1SCc1ccccc1 |r|
BDBM50445648 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2ncco2)c2cccc(F)c2)c(c1)C#N
BDBM50445649 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1C#N)-c1nc(no1)C(C)C)c1ccccc1
BDBM50445650 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2ccccc2)c2ncccn2)c(F)c1
BDBM50445651 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C2CCOC2)c2ccccc2)c(F)c1
BDBM50445652 CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2cc(C)no2)c2ccccc2)c(F)c1
BDBM50445660 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1ccccc1OC)c1ccccc1
BDBM50445661 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1ccccc1)c1ccccc1
BDBM50445662 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1cccnc1)c1ccccc1
BDBM50445663 CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1cnn(C)c1)c1ccccc1
BDBM50185368 CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:111.116,18.18,85.89,42.44,32.35,wD:3.2,74.77,67.71,56.60,7.7,37.38,100.104,(-6.32,-13.79,;-5,-13.01,;-3.66,-13.78,;-2.33,-13,;-2.33,-11.46,;-1,-10.69,;.33,-11.45,;-1,-9.14,;-2.34,-8.38,;-2.35,-6.84,;-3.69,-6.08,;-3.69,-4.53,;-2.36,-3.76,;-2.37,-2.22,;-1.02,-4.52,;.32,-8.36,;.31,-6.82,;-1.03,-6.06,;1.65,-6.05,;2.98,-6.81,;2.98,-8.36,;1.74,-9.26,;2.23,-10.72,;3.77,-10.72,;4.8,-11.86,;6.3,-11.54,;6.78,-10.07,;5.74,-8.93,;4.24,-9.25,;1.64,-4.51,;2.97,-3.73,;4.31,-4.48,;2.96,-2.18,;1.61,-1.43,;4.28,-1.41,;4.27,.14,;5.59,.92,;5.58,2.46,;4.24,3.21,;6.91,3.24,;6.89,4.78,;8.25,2.49,;9.59,3.25,;9.59,4.79,;10.94,5.55,;12.34,4.91,;13.37,6.05,;12.61,7.39,;13.1,8.86,;12.08,10,;10.57,9.7,;10.09,8.23,;11.11,7.08,;10.91,2.47,;10.9,.93,;12.25,3.23,;13.58,2.45,;13.57,.91,;12.23,.15,;12.22,-1.39,;10.88,-2.15,;9.55,-1.37,;8.22,-2.13,;9.56,.17,;14.92,3.21,;14.93,4.75,;16.25,2.43,;17.59,3.19,;18.92,2.41,;18.91,.87,;20.24,.09,;17.6,4.73,;16.27,5.51,;18.94,5.49,;20.26,4.71,;20.25,3.17,;21.58,2.39,;21.57,.85,;22.9,.07,;22.89,-1.47,;21.55,-2.23,;24.22,-2.25,;21.61,5.47,;21.62,7.01,;22.94,4.69,;24.27,5.45,;24.29,6.99,;25.63,7.75,;25.63,9.29,;26.97,10.05,;28.3,9.28,;29.64,10.04,;28.29,7.74,;26.95,6.97,;25.6,4.67,;26.94,5.43,;25.59,3.13,;-.99,-13.76,;.34,-12.99,;-.99,-15.31,;-2.31,-16.08,;-3.65,-15.31,;-4.98,-16.09,;-6.32,-15.32,;-7.65,-16.1,;-8.99,-15.34,;-8.99,-13.79,;-10.31,-16.11,;-2.31,-17.62,;-.97,-18.38,;-3.64,-18.4,;-3.63,-19.94,;-2.3,-20.71,;-2.29,-22.24,;-.95,-23,;-.95,-24.54,;-2.28,-25.32,;-2.27,-26.86,;-3.62,-24.55,;-3.62,-23.02,;-4.96,-20.71,;-4.95,-22.25,;-6.3,-19.95,)|
BDBM50185366 CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:3.3,18.18,75.79,68.71,43.45,101.106,32.35,wD:112.117,7.7,86.90,57.61,38.39,(13.8,-37.49,;13.73,-39.03,;15.03,-39.86,;14.95,-41.4,;13.59,-42.11,;12.29,-41.28,;12.35,-39.74,;10.92,-41.99,;10.85,-43.53,;12.15,-44.36,;12.08,-45.89,;13.39,-46.72,;13.31,-48.26,;11.94,-48.97,;14.61,-49.09,;9.62,-41.16,;8.26,-41.87,;8.19,-43.41,;6.96,-41.04,;7.03,-39.5,;8.39,-38.79,;9.78,-39.46,;10.85,-38.35,;10.14,-36.98,;10.66,-35.53,;9.67,-34.34,;8.15,-34.59,;7.62,-36.04,;8.6,-37.24,;5.58,-41.75,;4.22,-41.06,;4.14,-39.53,;2.94,-41.89,;3.02,-43.41,;1.58,-41.19,;1.51,-39.66,;.15,-38.97,;.07,-37.45,;-1.29,-36.75,;-2.57,-37.58,;-1.37,-35.23,;-.09,-34.4,;-2.73,-34.54,;-2.73,-32.99,;-4.07,-32.23,;-4.07,-30.69,;-2.85,-29.76,;-3.35,-28.3,;-4.89,-28.31,;-5.94,-27.17,;-7.45,-27.52,;-7.91,-28.99,;-6.87,-30.12,;-5.36,-29.79,;-1.4,-32.22,;-.06,-32.98,;-1.41,-30.68,;-.08,-29.9,;1.26,-30.66,;2.59,-29.89,;3.93,-30.65,;5.26,-29.87,;6.6,-30.64,;6.61,-32.18,;7.93,-29.87,;-.08,-28.36,;-1.42,-27.6,;1.25,-27.58,;1.24,-26.05,;-.1,-25.27,;-1.43,-26.05,;-2.76,-25.29,;2.57,-25.26,;3.91,-26.03,;2.57,-23.72,;1.23,-22.96,;-.1,-23.73,;-1.44,-22.97,;-2.77,-23.75,;-4.11,-22.98,;-5.43,-23.77,;-5.43,-25.3,;-6.78,-22.99,;1.22,-21.42,;2.55,-20.64,;-.11,-20.67,;-.12,-19.11,;1.22,-18.34,;1.21,-16.79,;-.01,-16.09,;-.02,-14.7,;1.19,-14,;1.19,-12.45,;2.41,-14.68,;2.41,-16.09,;-1.46,-18.34,;-1.46,-16.79,;-2.79,-19.13,;16.26,-42.22,;16.19,-43.76,;17.62,-41.51,;17.69,-39.97,;16.39,-39.15,;16.46,-37.61,;15.16,-36.78,;15.23,-35.24,;13.93,-34.41,;12.56,-35.12,;14,-32.87,;19.06,-39.26,;20.36,-40.09,;19.12,-37.72,;20.5,-37.01,;21.79,-37.84,;23.16,-37.14,;23.22,-35.74,;24.47,-35.09,;25.64,-35.85,;27.01,-35.13,;25.59,-37.25,;24.34,-37.89,;20.57,-35.48,;21.93,-34.76,;19.26,-34.65,)|
BDBM50185364 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#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]-c1ccc(-[#8])cc1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O
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BDBM50089428 CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
BDBM50089431 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCC(O)=O)C(N)=O |r|
BDBM50089433 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
BDBM50089438 CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
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BDBM50089441 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
BDBM50089442 CC(C)C[C@H](NC(=O)C(CN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
BDBM50089430 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)CCC(O)=O)C(N)=O |r|
BDBM50089436 CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
BDBM50208988 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
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