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1133 SMILES Strings for Neuropeptide Y receptor type 1

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|
BDBM31773 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
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|
BDBM35515 COC(=O)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N
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
BDBM38445 C=CCNc1nc(nc2ccccc12)N1CCCC1
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
BDBM39746 O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
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
BDBM42513 Clc1cccc(\C=C\C(=O)c2nc3ccccc3[nH]2)c1
BDBM42544 CCCCOc1ccc(cc1)C1=NNC(=O)CC1 |t:12|
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
BDBM42487 CCSc1nc2ccc(OC)cc2cc1C#N
BDBM42488 OC(=O)CSc1nnc(o1)-c1ccc2OCOc2c1
BDBM42489 COC(=O)C1=C(SC2(S1)C(C(=O)OC)=C(SC1=C2c2cccc(C)c2NC1(C)C)C(=O)OC)C(=O)OC |c:14,17,t:4|
BDBM42455 Brc1ccc(cc1)-c1csc(N=CN2CCCC2)n1 |w:11.11|
BDBM42490 Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
BDBM42491 CC(C)COC(=O)c1cccc2C(N=O)c3ccccc3-c12
BDBM42492 Brc1ccc(COC(=O)CCc2nc(c(o2)-c2ccccc2)-c2ccccc2)cc1
BDBM42493 CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(n1)N(C)C
BDBM42494 CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
BDBM42495 O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1
BDBM42496 Cc1cccc(NC(=S)NNC(=S)NCc2ccccc2)c1
BDBM42497 CCCCCCCCCS(=O)(=O)N[N-][CH+]c1cccc(c1)[N+]([O-])=O
BDBM42498 Cc1cccc(N2CCN(CCNC(=O)Cn3cccc3C(=O)c3ccccc3C)CC2)c1C
BDBM42499 CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2c1
BDBM42500 CCOc1ccc(cc1)-n1cc(C(=O)Nc2cccc(Cl)c2)c2cc(OC)c(OC)cc2c1=O
BDBM42501 COc1cc(C=Nn2cnnc2)ccc1OCc1ccc(C)cc1 |w:6.6|
BDBM42502 COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1
BDBM42503 C(CCN1CCCCC1)COc1ccc(OCc2ccccc2)cc1
BDBM42504 CC(NS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12)c1ccccc1
BDBM42505 COc1ccc(cc1)-c1n[nH]c2C(=O)N(C(c12)c1ccc(OC)c(OC)c1)c1ccccc1
BDBM42506 O=c1c2ccccc2nc2c3ccccc3c(NCCN3CCOCC3)nn12
BDBM42507 COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1
BDBM42508 Oc1cccc(c1)-c1nc2ccc3ccccc3c2c2CCCc12
BDBM42509 CC(C)Oc1ccc(cc1)C(=O)ON=C(C)c1ccc(C)c(C)c1 |w:13.13|
BDBM42510 COc1ccc(Cn2c(\C=C\c3ccccc3)nc3ccccc23)cc1
BDBM42511 CCC1=Nc2ccc(Br)cc2C(N1CC(=O)OC)c1ccccc1 |t:2|
BDBM42512 CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1
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]
BDBM42464 CC(C)c1ccc(cc1)-c1nnn(Cc2nc3ccccc3s2)n1
BDBM42465 Cc1onc(c1C(=O)Nc1sc2CCCc2c1C#N)-c1ccccc1Cl
BDBM42466 O=C(CN(Cc1ccc2OCOc2c1)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1
BDBM42467 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
BDBM42468 OC(Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N)c1ccco1
BDBM42469 Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
BDBM42470 COc1ccc(cc1OC)-c1nc(C#N)c(NC(C)c2ccccc2)o1
BDBM42471 CC1CCN(CC1)c1nc(C)nc2c3ccccc3oc12
BDBM42472 CC(C)COc1ccc(cc1)C(=O)OC1CC(C)(C)OCC1CN(C)C
BDBM42473 Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1n[nH]c2CCCc12 |t:9|
BDBM42474 COC(=O)c1ccc(CSc2nc3sc4CCCCc4c3c(=O)n2C)o1
BDBM42475 Clc1ccc(cc1)-c1nnn(Cc2nc3ccccc3s2)n1
BDBM42476 C(Sc1nnc(o1)-c1cccs1)c1csc(n1)-c1ccccc1
BDBM42477 COc1ccc(cc1)-n1nc(C(=O)Nc2ccc3OCOc3c2)c2ccccc2c1=O
BDBM42478 COc1cccc(c1)-c1nc(no1)-c1ccc(NC(=O)Cc2ccccc2OC)cc1
BDBM42479 O=C(CSc1nc2ccccc2o1)c1ccc2OCCOc2c1
BDBM42480 Clc1ccc(OCc2nc(C#N)c(o2)N2CCCCCC2)cc1
BDBM42481 COc1ccc(cc1)-c1noc(COc2ccc(Cl)c(C)c2)n1
BDBM42482 Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1 |t:8|
BDBM42483 COc1ccc(cc1)-c1nnc2sc(nn12)C(C)N1C(=O)c2ccccc2C1=O
BDBM42484 ClC1=CCC2C(C1)C(=O)N(CC1Cc3ccccc3CO1)C2=O |t:1|
BDBM42485 Cc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
BDBM42486 CCN(CC)CC(O)COc1ccc2n(c(C)c(C(C)=O)c2c1)-c1ccccc1
BDBM42514 CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(O)=O
BDBM42515 Clc1ccccc1-c1cc(COC(=O)Nc2ccccc2)no1
BDBM42516 Cc1nc(sc1C(=O)CSc1ccc(Cl)cc1)-c1ccccc1
BDBM42517 Clc1ccccc1CSc1nnc(\C=C\c2ccccc2)o1
BDBM42518 Clc1ccc(CSc2cc3CCc4ccccc4-c3nn2)cc1Cl
BDBM42519 Clc1ccc(NC(=O)c2csc(n2)-c2ccccc2)cc1
BDBM42520 COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1
BDBM42521 COC(=O)c1cc(Cl)c(NC(=O)c2ccc(cc2)C(C)(C)C)cc1OC
BDBM42522 Cc1ccc(cc1)-c1cc(C(=O)Nc2ccc3OCCOc3c2)c2ccccc2n1
BDBM42523 C\C(\C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
BDBM42524 Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2C)C(=O)Nc2ccccc2-c2ccccc2)c1
BDBM42525 Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2-c2ccccc2)c1
BDBM42526 Cc1ccc(NC(=S)NCc2ccc3OCOc3c2)cc1C
BDBM42527 Cc1ccccc1\C=C\c1nc2ccccc2c(=O)n1CCc1ccccc1
BDBM42528 O=C(\C=C\c1cccc2ccccc12)c1ccncc1
BDBM42529 Clc1cccc(Cl)c1CSCC(=O)Nc1ccccc1-c1ccccc1
BDBM42530 Clc1ccc(CSc2nc(ccc2C#N)-c2cccnc2)cc1Cl
BDBM42531 Oc1c(Br)cc(Br)cc1C=Nc1cccc(NC(=O)c2ccco2)c1 |w:10.11|
BDBM42532 Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
BDBM42533 CN(C)CCCSc1nc(nc2CCCc12)-c1ccccc1
BDBM42534 Cc1ccc(NC(=S)NC(N)=Nc2nc(C)c3cc(C)ccc3n2)c(C)c1 |w:11.11|
BDBM42535 CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1
BDBM42536 Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2)c1
BDBM42537 Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1
BDBM42538 CCC(Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O)C(=O)OCc1ccccc1
BDBM42539 CCOc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
BDBM42540 CN(C)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)Nc1cccc(C)c1
BDBM42541 OC1(CCN(Cc2ccccc2)C2CCCCC12)c1ccccc1
BDBM42542 Clc1ccc(CSCC(=O)NN=Cc2c(Cl)cccc2Cl)cc1 |w:11.10|
BDBM42543 COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC |w:7.7|
BDBM42545 Brc1ccc(COc2ccccc2C(=O)NN=Cc2ccco2)cc1 |w:16.16|
BDBM42546 CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3ccccc3n(C(C)C)c2n1
BDBM42547 Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1
BDBM42548 CC(C)OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc2n(C)c3ccccc3c2c1
BDBM42549 [#6]-[#6]\[#6](-[#7]-[#6]-[#6]-[#6](-c1ccccc1)-c1ccccc1)=[#6]-1\[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-1=O
BDBM42550 COc1cccc(c1)-c1ccc(C#N)c(SCC(=O)NCCc2ccc(Cl)cc2)n1
BDBM42551 Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1
BDBM42552 COC(=O)c1c(C)oc2ccc(cc12)N(C(=O)c1ccncc1)S(=O)(=O)c1ccc2ccccc2c1
BDBM42553 Cc1cccc(c1C)-n1ccnc1SCC(=O)N1CCCc2ccccc12
BDBM42554 Clc1ccccc1C=NNC(=S)NCCc1ccccc1 |w:8.9|
BDBM42555 CCOc1ccc(Oc2c(C=NNC(C)=O)c(C)nn2-c2ccccc2)cc1 |w:11.11|
BDBM42556 Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl
BDBM42557 Clc1ccc(\C=C\C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1
BDBM42558 COC(=O)c1cc2occc2n1Cc1nc(oc1C)-c1ccccc1Cl
BDBM42559 Nc1c2CCCCCCc2nc2sc3CCCCc3c12
BDBM42560 CCCCC(=O)N\N=C\c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O
BDBM42561 Clc1ccc(CN2CCC(CC2)C(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
BDBM42562 CCc1n[nH]c(=S)n1N=Cc1cc(Br)c(OC)cc1OC |w:8.8|
BDBM42563 CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1
BDBM42564 CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C
BDBM42357 Clc1ccc(NC(=O)NCCCn2ccnc2)cc1
BDBM42565 CN(CCCCOc1ccc(C)cc1Br)Cc1ccccc1
BDBM42566 COc1cc(C=NNC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 |w:6.6|
BDBM42567 CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1
BDBM42568 C\C=C(\C)C(=O)O[C@H]1[C@H](Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)C(\C)=C/C
BDBM42569 O=C(COC(=O)c1ccc(cc1)-c1ccccc1)Nc1ccccc1-c1ccccc1
BDBM42570 COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1
BDBM42571 CN(C)Cc1ccccc1Sc1cccc2ccccc12
BDBM42572 CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
BDBM42573 CN1CCC(CC1)Oc1ccccc1Sc1ccccc1
BDBM42574 Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
BDBM42575 COc1ccccc1OCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
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
BDBM41946 Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1
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|
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM82420 CC[C@H](C)[C@H](NC(=O)[C@@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CS)NC(=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](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:14.21,2.2,79.80,95.96,96.98,110.111,130.131,45.51,60.63,wD:8.10,4.4,24.32,87.88,103.104,104.107,121.122,141.142,54.57,66.67,(12.61,11.35,;12.61,9.83,;11.32,9.08,;10.01,9.83,;11.32,7.56,;12.67,6.79,;14.07,7.56,;14.07,9.14,;15.42,6.79,;15.44,5.3,;14.12,4.5,;16.56,7.56,;17.92,6.79,;19.27,7.56,;17.92,5.19,;16.11,4.26,;16.11,3.19,;15.19,2.51,;15.5,1.43,;16.63,1.43,;17.08,2.47,;19.27,4.42,;19.27,2.82,;17.92,2.07,;20.68,2.03,;22.03,2.74,;22.06,4.3,;23.41,4.96,;23.41,6.5,;24.78,7.19,;26.07,6.34,;24.78,8.69,;20.68,.49,;22.03,-.24,;23.39,.55,;22.03,-1.86,;20.7,-2.63,;19.37,-1.86,;18.28,-2.95,;16.94,-2.18,;15.86,-3.27,;14.52,-2.5,;13.19,-3.27,;11.85,-2.5,;11.85,-.96,;10.52,-3.27,;10.92,-4.76,;9.59,-5.53,;9.98,-7.01,;8.65,-7.78,;9.05,-9.27,;9.19,-2.5,;7.85,-3.27,;7.85,-4.81,;6.52,-2.5,;6.52,-.96,;7.85,-.19,;5.19,-3.27,;3.7,-2.87,;3.7,-1.33,;2.37,-3.64,;2.37,-5.18,;3.7,-5.95,;.88,-3.24,;-.46,-4.01,;-.46,-5.55,;-1.94,-3.61,;-3.03,-4.7,;-1.94,-2.07,;-3.28,-1.3,;-3.28,.24,;-4.61,1.01,;-5.94,.24,;-7.43,.63,;-5.94,-1.3,;-4.61,-2.07,;9.97,6.79,;9.92,5.28,;8.55,7.56,;7.28,6.79,;7.28,5.25,;5.97,4.51,;4.74,5.28,;5.99,3.09,;5.87,7.56,;5.87,9.14,;4.58,6.79,;3.23,7.56,;3.23,9.08,;1.87,9.83,;1.89,11.25,;.52,9.23,;1.87,6.79,;1.89,5.3,;.54,7.52,;-.75,6.75,;-.69,5.28,;-1.94,4.38,;.56,4.61,;.75,3.01,;-2.12,7.52,;-2.14,9.1,;-3.47,6.67,;-4.85,7.5,;-4.91,9.04,;-3.58,9.66,;-6.12,9.79,;-6.22,6.67,;-6.26,5.15,;-7.55,7.52,;-8.99,6.75,;-8.91,5.28,;-10.24,4.42,;-10.13,2.94,;-11.44,2.13,;-11.44,.59,;-12.71,-.2,;-10.11,-.09,;-10.34,7.52,;-10.26,8.98,;-11.57,6.67,;-13.03,7.46,;-12.94,9,;-14.27,9.71,;-14.25,11.23,;-12.96,11.91,;-15.52,11.91,;-14.32,6.73,;-14.32,5.17,;-15.63,7.46,;-17,6.63,;-16.98,5.11,;-18.19,4.3,;-18.12,2.82,;-19.39,2.01,;-19.27,.53,;-20.52,-.32,;-18.04,-.2,;-18.41,7.4,;-18.37,8.85,;-19.77,6.52,;-21.16,7.29,;-21.18,8.85,;-22.24,9.58,;-23.62,8.94,;-24.89,9.71,;-24.86,11.27,;-26.07,12.08,;-23.53,11.93,;-22.2,11.1,;-22.72,6.57,;-24.05,7.73,;-22.72,5.17,)|
BDBM82281 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](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](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:86.89,85.86,61.62,8.17,103.104,20.28,41.47,123.124,54.56,wD:77.78,69.70,4.4,92.93,30.39,112.113,78.80,2.2,49.51,(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,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,6.01,;54.68,3.34,;56.22,3.34,;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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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,)|
BDBM82290 CC(C)C[C@H](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](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)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(O)=O
BDBM82292 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](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](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:110.115,109.112,85.88,8.17,127.130,20.28,41.47,147.150,54.58,wD:101.104,93.96,4.4,116.119,72.75,30.39,136.139,60.71,102.106,2.2,49.51,(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,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,3.34,;56.22,3.34,;54.68,6.01,;56.22,6.01,;56.99,4.68,;56.99,7.34,;56.22,8.68,;56.99,10.01,;58.53,10.01,;59.3,11.35,;58.53,12.68,;59.3,14.01,;56.99,12.68,;56.22,11.35,;58.53,7.34,;59.3,6.01,;58.53,4.68,;60.84,6.01,;61.61,4.68,;61.61,7.34,;63.15,7.34,;63.92,6.01,;65.46,6.01,;66.23,7.34,;67.77,7.34,;65.46,8.68,;63.92,8.68,;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,)|
BDBM82293 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7])-[#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](-[#8])=O
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BDBM50046545 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]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)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)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
BDBM50046546 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](C)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(O)=O
BDBM50046547 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
BDBM50046550 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(O)=O
BDBM50046553 CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC1=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)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](C)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
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
BDBM50065459 Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1
BDBM50065460 Clc1ccc(OCc2nc3c(OCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1
BDBM50065461 Clc1ccc(OCc2nc3c(OCCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1
BDBM50065462 Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1
BDBM50065463 Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1
BDBM50065464 Cc1ccc2n(CCCC3CCCNC3)c(COc3ccc(Cl)cc3)nc2c1
BDBM50065465 Cc1cccc2n(CCCC3CCCNC3)c(COc3ccc(Cl)cc3)nc12
BDBM50065466 Clc1ccc(OCc2nc3c(OCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1
BDBM50065467 Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1
BDBM50065468 Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1
BDBM50065469 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
BDBM50065470 Oc1cccc2n(CCCC3CCCNC3)c(COc3ccc(Cl)cc3)nc12
BDBM50065471 Clc1ccc(OCc2nc3ccccc3n2CCC2CCNCC2)cc1
BDBM50065472 Clc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1
BDBM50065473 Clc1ccc(OCc2nc3ccccc3n2CCC2CCCNC2)cc1
BDBM50065474 Cc1cccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCCNC3)c12
BDBM50065475 Clc1ccc(OCc2nc3c(OCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1
BDBM50065476 Clc1ccc(OCc2nc3c(OCCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1
BDBM50065477 Clc1ccc(OCc2nc3c(OCCCC4CCCCN4)cccc3n2CCCC2CCCNC2)cc1
BDBM50065478 Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCCN2)cc1
BDBM50065479 Clc1ccc(OCc2nc3c(OCCC4CCCCN4)cccc3n2CCCC2CCCNC2)cc1
BDBM50065480 Clc1ccc(OCc2nc3ccccc3n2CCN2CCCCC2)cc1
BDBM50065481 Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCNC2)cc1
BDBM50065482 Clc1ccc(OCc2nc3ccccc3n2CCCN2CCCCC2)cc1
BDBM50065483 Clc1ccc(OCc2nc3ccccc3n2CCCCC2CCCNC2)cc1
BDBM50065484 Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCN2)cc1
BDBM50069412 Cc1cccc2n(CCCC3CCN(CCN4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069413 Cc1cccc2n(CCCC3CCN(CCCC(N)=O)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069414 Cc1cccc2n(CCCC3CCN(CCCN4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069415 Cc1cccc2n(CCCC3CCN(CCCCN4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069416 Cc1cccc2n(CCCC3CCN(CC3)C(=O)CCN3CCCCC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069417 CC(C)CCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
BDBM50069418 CN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
BDBM50069419 Cc1cccc2n(CCCC3CCN(CC(O)=O)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069420 Cc1cccc2n(CCCC3CCN(CCCc4ccccc4)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069421 Cc1cccc2n(CCCC3CCN(CCc4ccccc4)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069422 Cc1cccc2n(CCCC3CCN(CCCC(O)=O)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069423 Cc1cccc2n(CCCC3CCN(CCCC(=O)N4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069424 CCOC(=O)CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
BDBM50069425 CCOC(=O)CN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
BDBM50069426 Cc1cccc2n(CCCC3CCN(CC(=O)N4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069427 CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
BDBM50069428 Cc1cccc2n(CCCC3CCNCC3)c(COc3ccc(Cl)cc3)nc12
BDBM50069429 Cc1cccc2n(CCCC3CCN(Cc4ccccc4)CC3)c(COc3ccc(Cl)cc3)nc12
BDBM50073054 CC[C@H]1CC[C@](CC1)(N1CCN(CC1)c1ccccc1)c1cccc(OCOC)c1 |wU:5.8,2.1,(9.31,-1.88,;7.97,-2.65,;7.97,-4.19,;9.31,-4.96,;9.31,-6.51,;7.97,-7.28,;6.65,-6.51,;6.65,-4.96,;9.31,-8.05,;10.62,-7.28,;11.96,-8.05,;11.96,-9.59,;10.62,-10.34,;9.29,-9.59,;13.29,-10.37,;14.61,-9.59,;15.95,-10.37,;15.95,-11.91,;14.6,-12.68,;13.27,-11.91,;6.64,-8.05,;6.64,-9.61,;5.29,-10.38,;3.96,-9.61,;3.96,-8.07,;2.63,-7.3,;1.29,-8.07,;-.04,-7.3,;-1.38,-8.07,;5.29,-7.28,)|
BDBM50075222 Clc1ccc(OCc2sc3ccccc3c2CN2CCCCC2)cc1
BDBM50075223 CN(C)C1CCN(CCc2c(sc3ccccc23)C(Oc2ccc(Cl)cc2Cl)c2ccccc2)CC1
BDBM50075224 CN(C)C1CCN(CCc2c(Cc3ccc(Cl)cc3Cl)sc3ccccc23)CC1
BDBM50075225 COC(c1sc2ccccc2c1CCN1CCC(CC1)N(C)C)c1ccc(Cl)cc1Cl
BDBM50075226 CN(C)C1CCN(CCc2c(COc3ccc(C)cc3)sc3ccccc23)CC1
BDBM50075227 CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3Br)sc3ccccc23)CC1
BDBM50075228 CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3Cl)sc3ccccc23)CC1
BDBM50075229 CN(C)C1CCN(CCc2c(COc3c(Br)cc(Br)cc3Br)sc3ccccc23)CC1
BDBM50075230 CN(C)C1CCN(CCc2c(\C=C\c3ccc(Cl)cc3Cl)sc3ccccc23)CC1
BDBM50075231 CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3CO)sc3ccccc23)CC1
BDBM50075232 Clc1ccc(OCc2sc3ccccc3c2CCN2CCCCC2)cc1
BDBM50075233 CN(C)C1CCN(CCc2c(COc3ccccc3Br)sc3ccccc23)CC1
BDBM50075234 CN(C)C1CCN(CCc2c(COc3ccc(cc3Br)C#N)sc3ccccc23)CC1
BDBM50075235 CN(C)C1CCN(CCc2c(COc3ccc(C)cc3C(C)(C)C)sc3ccccc23)CC1
BDBM50075236 CN(C)C1CCN(CCc2c(sc3ccccc23)C(C)(C)Oc2ccc(Cl)cc2Cl)CC1
BDBM50075237 CN(C)C1CCN(CCc2c(COc3ccc(cc3)-c3ccccc3)sc3ccccc23)CC1
BDBM50075238 CC(CN1CCC(CC1)N(C)C)c1c(COc2ccc(Cl)cc2Cl)sc2ccccc12
BDBM50075239 CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C)sc3ccccc23)CC1
BDBM50075240 CN(C)C1CCN(CCc2c(COc3ccccc3CC=C)sc3ccccc23)CC1
BDBM50075241 CN(C)C1CCN(CCc2c(COc3ccc(cc3)C(F)(F)F)sc3ccccc23)CC1
BDBM50075242 CN(C)C1CCN(CCc2c(COc3ccc(CO)cc3Br)sc3ccccc23)CC1
BDBM50075243 Clc1ccc(OCc2sc3ccccc3c2CCCN2CCCCC2)cc1
BDBM50075244 CN(C)C1CCN(CCc2c(sc3ccccc23)C(=O)Nc2ccc(Cl)cc2Cl)CC1
BDBM50075245 CN(C)C1CCN(CCc2c(sc3ccccc23)C(O)c2ccc(Cl)cc2Cl)CC1
BDBM50075246 CN(C)C1CCN(CCc2c(sc3ccccc23)-c2ccc(Cl)cc2Cl)CC1
BDBM50075247 CN(C)C1CCN(CCc2c(C=Nc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 |w:12.12|
BDBM50075248 CN(C)C1CCN(CCc2c(CCOc3ccc(Cl)cc3Cl)sc3ccccc23)CC1
BDBM50075249 CN(C)Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(CC1)N(C)C
BDBM50075250 CN(C)C1CCN(CCc2c(CN=Nc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 |w:13.13|
BDBM50075251 CNCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(CC1)N(C)C
BDBM50075252 CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(F)(F)F)sc3ccccc23)CC1
BDBM50075253 CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3)sc3ccccc23)CC1
BDBM50075254 CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(N)=O)sc3ccccc23)CC1
BDBM50075255 CN(C)C1CCN(CCc2c(CNc3ccc(Cl)cc3Cl)sc3ccccc23)CC1
BDBM50075256 CN(C)C1CCN(CCc2c(COc3ccc(C)cc3Br)sc3ccccc23)CC1
BDBM50075257 CN(C)C1CCN(CCc2c(COc3ccccc3I)sc3ccccc23)CC1
BDBM50075258 CN(C)C1CCN(CCc2c(COc3ccccc3C)sc3ccccc23)CC1
BDBM50075259 CN(C)C1CCN(CCc2c(COc3ccccc3C=O)sc3ccccc23)CC1
BDBM50075260 CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C#N)sc3ccccc23)CC1
BDBM50075261 CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3)sc3ccccc23)CC1
BDBM50075262 CN(C)C1CCN(CCc2c(sc3ccccc23)C#Cc2ccc(Cl)cc2Cl)CC1
BDBM50075263 COCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(CC1)N(C)C
BDBM50075264 CN(C)C1CCN(CCc2c(COc3c(C)cc(C)cc3C)sc3ccccc23)CC1
BDBM50075265 CC(Oc1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC(CC1)N(C)C
BDBM50075266 CN(C)C1CCN(CCc2c(COc3ccccc3)sc3ccccc23)CC1
BDBM50075267 CN(C)C1CCN(CCc2c(COc3ccc(C)cc3C)sc3ccccc23)CC1
BDBM50075268 CN(C)C1CCN(CCc2c(COc3ccccc3CO)sc3ccccc23)CC1
BDBM50075269 CN(C)C1CCN(CCc2c(sc3ccccc23)C(=O)c2ccc(Cl)cc2Cl)CC1
BDBM50075270 CN(C)C1CCN(CCc2c(CO)sc3ccccc23)CC1
BDBM50075795 C=CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
BDBM50075796 C(COc1cccc2n(CCCC3CCN(CCCN4CCCCC4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
BDBM50075797 C(COc1cccc2n(CCCC3CCN(CCC4CCCCC4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
BDBM50075798 C(COc1cccc2n(CCCC3CCN(CC4CCCCC4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
BDBM50075808 Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCCC2CCCNC2)cc1
BDBM50075809 C(COc1cccc2n(CCCC3CCN(CCc4ccccc4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
BDBM50075810 CC(C)N1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
BDBM50075811 O=C(CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1)c1ccccc1
BDBM50075812 C(COc1cccc2n(CCCC3CCN(C\C=C/c4ccccc4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
BDBM50075799 C(COc1cccc2n(CCCC3CCN(CCCc4ccccc4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
BDBM50075800 C=CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
BDBM50075801 CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
BDBM50075802 Oc1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc34)CC2)cc1
BDBM50075803 O=C(CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1)c1ccccc1
BDBM50075804 CC(C)CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
BDBM50075805 C(COc1cccc2n(CCCC3CCNCC3)c(COc3ccccc3)nc12)CN1CCCCC1
BDBM50075806 CC(C)CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
BDBM50075807 Ic1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc34)CC2)cc1
BDBM50078972 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078973 CC(C)(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078974 CNC(Nc1ccccc1)=NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O |w:10.11|
BDBM50078975 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4OCOc4c3)C2=O)c1
BDBM50079002 COc1ccc(NC(=O)NC2CCc3ccccc3N(Cc3cccc(NC(=O)NC(C)C)c3)C2=O)cc1
BDBM50078976 CC(C)CNC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078977 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(N)Nc3ccc(O)cc3)C2=O)c1 |w:23.23|
BDBM50079003 O=C(NC1CCc2ccccc2N(Cc2cccc(NC(=O)Nc3ccccc3)c2)C1=O)Nc1ccccc1
BDBM50079004 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccn3)C2=O)c1
BDBM50078978 O=C(NC1CCc2ccccc2N(Cc2cccc(NC(=O)Oc3ccccc3)c2)C1=O)Nc1ccccc1
BDBM50078979 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50079005 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(OC(=O)Nc3ccccc3)C2=O)c1
BDBM50079006 CN(C(=O)OC(C)(C)C)c1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078980 O=C(NC1CC1)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078981 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4OCCOc4c3)C2=O)c1
BDBM50079007 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Oc3ccccc3)C2=O)c1
BDBM50079008 CC(C)(C)OC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078956 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nncs3)C2=O)c1
BDBM50078957 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(NC(C)C)Nc3ccc(O)cc3)C2=O)c1 |w:23.23|
BDBM50078958 COC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078959 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4[nH]ncc4c3)C2=O)c1
BDBM50078960 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nccs3)C2=O)c1
BDBM50078961 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nc4ccccc4s3)C2=O)c1
BDBM50078962 CNC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078963 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(cc3)-c3ccccc3)C2=O)c1
BDBM50078964 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4C(=O)N(C)C(=O)c4c3)C2=O)c1
BDBM50078982 CC(C)NC(=O)Nc1cccc(CN2CCCCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078983 CC(C)NC(=O)Cc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50079009 CNC(Nc1ccc(O)cc1)=NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O |w:11.12|
BDBM50079010 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3cccc(F)c3F)C2=O)c1
BDBM50078984 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(N)cc3)C2=O)c1
BDBM50078985 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(F)cc3)C2=O)c1
BDBM50079011 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccncc3)C2=O)c1
BDBM50079012 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ccsc4c3)C2=O)c1
BDBM50078986 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(COC(=O)Nc3ccccc3)C2=O)c1
BDBM50078987 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(cc3)[N+]([O-])=O)C2=O)c1
BDBM50079013 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ncccc4c3)C2=O)c1
BDBM50079014 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NS(=O)(=O)c3ccccc3)C2=O)c1
BDBM50078988 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3cnc4ccccc4c3)C2=O)c1
BDBM50078989 Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50079015 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(F)cc3F)C2=O)c1
BDBM50079016 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ccoc4c3)C2=O)c1
BDBM50078990 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(NCCO)Nc3ccc(O)cc3)C2=O)c1 |w:23.23|
BDBM50078991 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)c3ccccc3)C2=O)c1
BDBM50079017 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4scnc4c3)C2=O)c1
BDBM50079018 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccn[nH]3)C2=O)c1
BDBM50078992 CC(C)OC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078993 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4[nH]ccc4c3)C2=O)c1
BDBM50078965 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ncsc4c3)C2=O)c1
BDBM50078994 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ocnc4c3)C2=O)c1
BDBM50078995 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4C(=O)NC(=O)c4c3)C2=O)c1
BDBM50078996 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3cc(F)cc(F)c3)C2=O)c1
BDBM50078966 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4sccc4c3)C2=O)c1
BDBM50078967 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(cc3)N(C)C)C2=O)c1
BDBM50078968 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3OCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078997 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(CNC(=O)Nc3ccccc3)C2=O)c1
BDBM50078998 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(Cl)cc3)C2=O)c1
BDBM50078999 O=C(NC1CCc2ccccc2N(Cc2cccc(NC(=O)N3CCOCC3)c2)C1=O)Nc1ccccc1
BDBM50079000 CC(C)NC(=O)Nc1nc(CN2c3ccccc3OCC(NC(=O)Nc3ccc(F)cc3F)C2=O)cs1
BDBM50079001 NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
BDBM50078969 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(O)cc3)C2=O)c1
BDBM50078970 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3F)C2=O)c1
BDBM50078971 CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4CCCc4c3)C2=O)c1
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
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
BDBM50090273 NC(=N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1
BDBM50090274 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1
BDBM50090275 NC(=N)NCCCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)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
BDBM50090278 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1
BDBM50090279 NC(=N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
BDBM50090280 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(O)cc1
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
BDBM50090283 C[C@H](NC(=O)C(CCCNC(N)=N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
BDBM50090284 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCc2cc(O)ccc12
BDBM50090285 NC(=N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1
BDBM50090286 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccn1
BDBM50090287 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCc2ccccc12
BDBM50090288 C[C@@H](NC(=O)C(CCCNC(N)=N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
BDBM50090289 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1
BDBM50090290 NC(=N)NCCCC(NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc2C1
BDBM50090291 NC(=N)NCCCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCc2ccccc2C1
BDBM50090292 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccn1
BDBM50090293 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1
BDBM50090294 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1
BDBM50090295 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc12
BDBM50090296 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc2C1
BDBM50090271 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
BDBM50089035 COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)N1Cc2ccccc2C1=O
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,)|
BDBM50089039 NCCCCNc1nc(N)c2cc(ccc2n1)-c1ccccc1
BDBM50089046 O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 |wU:8.8,wD:5.4,(14.76,-4.11,;14.78,-5.65,;14.76,-7.18,;13.46,-4.87,;12.12,-5.62,;10.79,-4.85,;10.81,-3.3,;9.47,-2.51,;8.15,-3.28,;6.82,-2.49,;5.48,-3.25,;4.15,-2.49,;2.82,-3.25,;2.82,-4.79,;1.48,-5.55,;.15,-4.78,;-1.18,-5.55,;-2.5,-4.78,;-2.5,-3.23,;-1.18,-2.47,;.15,-3.23,;1.48,-2.47,;8.13,-4.83,;9.45,-5.6,;16.13,-4.9,;16.13,-3.36,;17.48,-2.61,;18.8,-3.4,;20.15,-2.65,;21.47,-3.44,;21.45,-4.99,;20.09,-5.74,;18.78,-4.94,;17.46,-5.68,)|
BDBM50089061 CCCCN(CCCC)CCCNc1nc(Nc2cccc(c2)C(F)(F)F)c2ccccc2n1
BDBM50089062 COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)N1C(=O)CC(CC1=O)C1CCCCC1
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
BDBM50101563 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50099737 Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
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
BDBM50110415 O=S(=O)(NC[C@@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 |wU:5.4,8.8,(20.02,-8.52,;20.02,-6.98,;20.02,-5.43,;18.69,-6.2,;17.36,-6.99,;16.03,-6.22,;15.25,-4.89,;13.73,-4.87,;12.96,-6.2,;11.63,-5.43,;10.29,-6.2,;8.96,-5.43,;7.61,-6.2,;7.61,-7.75,;6.27,-8.52,;4.93,-7.72,;3.6,-8.52,;2.27,-7.75,;2.27,-6.2,;3.6,-5.43,;4.94,-6.2,;6.27,-5.41,;13.73,-7.54,;15.25,-7.54,;21.37,-6.2,;22.13,-7.54,;23.65,-7.54,;24.42,-6.23,;23.65,-4.9,;24.42,-3.58,;23.65,-2.25,;22.13,-2.27,;21.37,-3.59,;22.13,-4.9,)|
BDBM50110416 COc1ccc2CCCC(CNCC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)Cc2c1
BDBM50110417 COc1ccc2CCCC(CNC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)Cc2c1
BDBM50110419 COc1ccc2CCCC(Cc2c1)NCCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110421 COc1cc2CCCC(Cc2cc1OC)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110406 COc1ccc2CCCC(CNCCN3CCC(CNS(=O)(=O)c4cccc5ccccc45)CC3)Cc2c1
BDBM50110407 COc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110408 COc1ccc2CCCC(Cc2c1)NC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110410 Cc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110411 Clc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110412 [O-][N+](=O)c1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110413 COc1ccc2CCCC(CNCC3CN(CCNS(=O)(=O)c4cccc5ccccc45)C3)Cc2c1
BDBM50109178 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2)c1)C(=O)OC |c:5,t:8|
BDBM50109179 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(O)c2)c1 |c:13,t:10|
BDBM50109180 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2O)c1)C(=O)OC |c:5,t:8|
BDBM50109181 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(c2)-c2ccccc2)c1 |c:13,t:10|
BDBM50109182 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)C2CCCCC2)c1 |c:13,t:10|
BDBM50109183 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2C)c1)C(=O)OC |c:5,t:8|
BDBM50109111 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=S)NCCCN2CCC(CC2)c2cccc(OC)c2)c1 |c:13,t:10|
BDBM50109113 COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)C2CCCCC2)c1 |c:13,t:10|
BDBM50109114 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCCN2CCC(CC2)c2ccccc2)=NC#N)c1 |w:39.42,c:13,t:10|
BDBM50109115 COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(OC)c2)c1 |c:13,t:10|
BDBM50109116 COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=S)NCCCN2CCN(CC2)C2CCCCC2)c1 |c:13,t:10|
BDBM50109117 COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCCN2CCC(CC2)c2ccccc2)=NC#N)c1 |w:39.42,c:13,t:10|
BDBM50109118 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)C2CCCCC2)c1 |c:13,t:10|
BDBM50109119 COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCCN2CCC(CC2)C(C)(C)C)=NC#N)c1 |w:37.39,c:13,t:10|
BDBM50109120 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=S)NCCCN2CCN(CC2)C2CCCCC2)c1 |c:13,t:10|
BDBM50109121 COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=S)NCCCN2CCC(CC2)C(C)(C)C)c1 |c:13,t:10|
BDBM50109122 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(OC)c2)c1 |c:13,t:10|
BDBM50109123 COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=S)NCCCN2CCC(CC2)c2cccc(OC)c2)c1 |c:13,t:10|
BDBM50109184 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(C)cc2)c1)C(=O)OC |c:5,t:8|
BDBM50109185 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1 |c:13,t:10|
BDBM50109186 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2)c1 |c:13,t:10|
BDBM50109187 COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1 |c:16,t:13|
BDBM50109188 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2OC)c1 |c:13,t:10|
BDBM50109189 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)c1)C(=O)OC |c:5,t:8|
BDBM50109190 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(Cl)cc2)c1)C(=O)OC |c:5,t:8|
BDBM50109191 COC(=O)C1=C(C)N=C(C)C(C#N)C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1 |c:4,t:7|
BDBM50109192 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)C(=O)OC |c:5,t:8|
BDBM50109193 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1 |c:13,t:10|
BDBM50109194 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2cccc(O)c2)c1)C(=O)OC |c:5,t:8|
BDBM50109173 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2)c1)C(=O)OC |c:5,t:8|
BDBM50109174 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCNCC2)c1 |c:13,t:10|
BDBM50109175 CCCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)C(=O)OC |c:7,t:10|
BDBM50109176 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCCCC2)c1 |c:13,t:10|
BDBM50109177 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(OC)cc2)c1)C(=O)OC |c:5,t:8|
BDBM50110562 COc1ccc2CCCC(Cc2c1)NCC1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O
BDBM50114976 [O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 |wU:14.14,wD:17.18,(3.83,-5.18,;2.48,-5.95,;1.15,-5.2,;2.5,-7.47,;1.17,-8.28,;1.17,-9.82,;2.5,-10.59,;3.83,-9.82,;3.83,-8.26,;5.16,-7.47,;5.56,-8.98,;5.16,-5.95,;6.49,-8.26,;7.82,-7.47,;9.17,-8.24,;10.48,-7.47,;11.83,-8.24,;11.83,-9.78,;13.17,-10.55,;14.5,-9.78,;15.83,-10.55,;17.16,-9.78,;17.16,-8.24,;18.49,-7.47,;19.83,-8.26,;21.15,-7.47,;22.48,-8.26,;22.47,-9.8,;21.14,-10.57,;19.82,-9.78,;18.49,-10.55,;10.5,-10.55,;9.17,-9.78,)|
BDBM50114977 O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 |wU:5.4,wD:8.8,(-1.14,-3.49,;-1.56,-2,;-1.56,-.45,;-.2,-2.77,;1.13,-2,;2.46,-2.76,;3.8,-1.97,;5.13,-2.74,;5.13,-4.29,;6.46,-5.06,;7.79,-4.29,;9.15,-5.06,;10.48,-4.29,;10.46,-2.76,;11.82,-1.99,;13.15,-2.77,;14.48,-2.01,;15.79,-2.77,;15.79,-4.31,;14.46,-5.08,;13.12,-4.3,;11.82,-5.07,;3.8,-5.06,;2.46,-4.3,;-2.89,-2.78,;-2.87,-4.31,;-4.2,-5.1,;-5.56,-4.33,;-5.56,-2.79,;-6.89,-2.02,;-6.89,-.5,;-5.56,.28,;-4.22,-.48,;-4.22,-2.02,)|
BDBM50114978 OCC(Cc1ccc(Cl)cc1)NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1 |wU:16.17,wD:13.13,(6.46,-5.19,;7.82,-4.42,;7.79,-2.88,;9.15,-2.1,;10.48,-2.88,;11.82,-2.1,;13.15,-2.86,;13.15,-4.42,;14.48,-5.19,;11.82,-5.19,;10.48,-4.42,;6.46,-2.1,;5.13,-2.88,;3.8,-2.11,;3.8,-.57,;2.46,.2,;1.13,-.58,;-.2,.19,;-1.54,-.58,;-2.89,.18,;-2.96,-1.27,;-2.89,1.72,;-4.22,-.61,;-4.22,-2.15,;-5.56,-2.92,;-6.89,-2.16,;-6.89,-.61,;-8.22,.14,;-8.22,1.68,;-6.89,2.46,;-5.56,1.7,;-5.56,.16,;1.13,-2.13,;2.46,-2.88,)|
BDBM50114979 O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 |wU:5.4,wD:8.8,(-1.75,.27,;-1.73,-1.27,;-1.32,-2.77,;-.39,-2.04,;.94,-1.27,;2.28,-2.04,;3.61,-1.25,;4.94,-2.02,;4.94,-3.56,;6.29,-4.33,;7.62,-3.56,;8.96,-4.33,;10.3,-3.56,;10.29,-2.04,;11.63,-1.27,;12.96,-2.04,;14.29,-1.29,;15.62,-2.04,;15.6,-3.59,;14.27,-4.36,;12.95,-3.59,;11.63,-4.36,;3.61,-4.33,;2.28,-3.59,;-3.06,-2.07,;-3.06,-3.61,;-4.41,-4.38,;-5.74,-3.61,;-7.08,-4.38,;-8.41,-3.61,;-8.41,-2.07,;-7.08,-1.29,;-5.74,-2.07,;-4.41,-1.29,)|
BDBM50114980 [O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 |wU:14.14,wD:17.18,(-2.1,1.7,;-3.45,.9,;-4.77,1.68,;-3.45,-.64,;-4.77,-1.41,;-4.76,-2.95,;-3.45,-3.73,;-2.1,-2.95,;-2.1,-1.41,;-.76,-.62,;-.35,-2.11,;-.77,.93,;.58,-1.39,;1.92,-.62,;3.25,-1.39,;4.57,-.59,;5.92,-1.36,;5.92,-2.91,;7.26,-3.68,;8.59,-2.91,;9.94,-3.68,;11.27,-2.91,;11.25,-1.39,;12.6,-.62,;13.94,-1.39,;13.92,-2.91,;15.24,-3.68,;15.27,-5.2,;13.94,-5.97,;12.6,-5.22,;12.6,-3.68,;4.57,-3.68,;3.25,-2.93,)|
BDBM50114981 FC(F)(F)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1 |wU:15.15,wD:18.19,(-2.91,-.38,;-4.25,-1.15,;-5.58,-.41,;-2.75,-1.55,;-4.22,-2.7,;-5.56,-3.49,;-5.56,-5.03,;-4.22,-5.81,;-2.89,-5.03,;-2.89,-3.47,;-1.56,-2.7,;-1.16,-4.19,;-1.56,-1.15,;-.23,-3.47,;1.11,-2.7,;2.46,-3.44,;3.77,-2.67,;5.13,-3.44,;5.13,-4.99,;6.46,-5.76,;7.79,-4.99,;9.13,-5.76,;10.46,-4.99,;10.46,-3.44,;11.79,-2.67,;13.12,-3.47,;13.12,-4.99,;14.43,-5.76,;14.46,-7.28,;13.12,-8.05,;11.79,-7.28,;11.79,-5.76,;3.8,-5.76,;2.46,-4.99,)|
BDBM50114973 FC(F)(F)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1 |wU:15.15,wD:18.19,(-6.68,-.35,;-5.32,-1.12,;-3.83,-1.52,;-3.99,-.35,;-5.32,-2.67,;-6.66,-3.44,;-6.66,-4.99,;-5.32,-5.75,;-3.99,-4.98,;-3.99,-3.44,;-2.66,-2.65,;-2.24,-4.14,;-2.66,-1.11,;-1.3,-3.41,;.03,-2.64,;1.36,-3.41,;2.7,-2.63,;4.03,-3.4,;4.03,-4.94,;5.36,-5.71,;6.69,-4.94,;8.05,-5.71,;9.38,-4.94,;9.36,-3.41,;10.72,-2.64,;12.05,-3.41,;13.38,-2.65,;14.69,-3.41,;14.69,-4.96,;13.36,-5.73,;12.03,-4.96,;10.72,-5.71,;2.7,-5.71,;1.36,-4.96,)|
BDBM50114974 [O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |wU:14.14,wD:17.18,(-3.71,-.58,;-5.05,-1.36,;-6.38,-.59,;-5.04,-2.91,;-6.38,-3.68,;-6.38,-5.24,;-5.04,-6.01,;-3.71,-5.24,;-3.71,-3.68,;-2.38,-2.9,;-2.38,-1.36,;-1.96,-4.4,;-1.03,-3.67,;.3,-2.9,;1.64,-3.66,;2.97,-2.88,;4.31,-3.65,;4.31,-5.19,;5.64,-5.96,;6.98,-5.19,;8.32,-5.96,;9.66,-5.19,;9.64,-3.66,;10.99,-2.88,;12.33,-3.67,;13.65,-2.91,;14.97,-3.67,;14.97,-5.21,;13.64,-5.99,;12.31,-5.2,;10.99,-5.97,;2.98,-5.96,;1.64,-5.2,)|
BDBM50114975 O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1
BDBM50139095 Clc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:12.12,wD:15.19,(-1.89,-5.71,;-.54,-4.98,;.78,-5.79,;2.13,-5.07,;2.18,-3.54,;.87,-2.71,;-.48,-3.44,;3.53,-2.82,;2.77,-1.31,;4.81,-1.61,;4.84,-3.64,;6.2,-2.91,;7.51,-3.73,;8.87,-3.01,;10.17,-3.81,;10.12,-5.35,;8.77,-6.09,;7.45,-5.27,;11.43,-6.16,;11.38,-7.7,;12.78,-5.44,;14.09,-6.25,;15.45,-5.53,;15.49,-3.99,;16.75,-6.33,;16.87,-7.87,;18.36,-8.23,;19.15,-6.93,;18.17,-5.74,)|
BDBM50139096 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:20.20,wD:23.27,(-2.26,2.08,;-.96,1.26,;-1.02,-.26,;.4,2,;1.71,1.18,;3.06,1.9,;4.16,.81,;5.64,1.21,;3.74,-.68,;3.11,3.43,;1.8,4.26,;.45,3.54,;1.8,5.8,;3.12,6.58,;.45,6.57,;4.46,4.15,;5.74,5.36,;3.71,5.66,;5.77,3.33,;7.14,4.06,;8.44,3.24,;9.8,3.96,;11.1,3.16,;11.05,1.62,;9.7,.89,;8.38,1.7,;12.36,.81,;12.31,-.73,;13.71,1.53,;15.03,.72,;16.38,1.45,;16.43,2.98,;17.68,.65,;17.8,-.89,;19.29,-1.26,;20.02,-2.62,;21.57,-2.67,;22.37,-1.34,;21.64,.02,;20.09,.05,;19.11,1.23,)|
BDBM50139097 O=C(NNC(=O)c1cccs1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1 |wU:14.15,wD:11.11,(10.31,-7.7,;10.36,-6.17,;11.71,-5.44,;13.02,-6.25,;14.37,-5.53,;14.42,-3.99,;15.68,-6.33,;15.8,-7.87,;17.29,-8.23,;18.1,-6.93,;17.1,-5.75,;9.05,-5.35,;9.1,-3.81,;7.8,-3.01,;6.44,-3.73,;5.13,-2.92,;3.76,-3.64,;2.46,-2.82,;3.74,-1.61,;1.7,-1.31,;1.1,-3.54,;.89,-5.06,;-.62,-5.33,;-1.34,-3.97,;-.27,-2.85,;6.37,-5.27,;7.7,-6.09,)|
BDBM50139098 O=C(NNC(=O)c1cc2ccccc2s1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1 |wU:18.20,wD:15.16,(9.45,.83,;9.5,2.37,;10.85,3.09,;12.17,2.29,;13.53,3.01,;13.57,4.55,;14.84,2.21,;14.95,.67,;16.44,.3,;17.17,-1.06,;18.71,-1.1,;19.53,.23,;18.78,1.58,;17.24,1.61,;16.26,2.79,;8.19,3.19,;8.24,4.73,;6.95,5.53,;5.58,4.82,;4.28,5.64,;2.92,4.9,;1.62,5.71,;2.9,6.93,;.85,7.22,;.26,4.99,;.05,3.47,;-1.46,3.21,;-2.18,4.56,;-1.12,5.68,;5.54,3.26,;6.84,2.45,)|
BDBM50139099 Brc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-3.85,-.38,;-2.5,.35,;-1.18,-.47,;.17,.26,;.22,1.79,;-1.09,2.61,;-2.44,1.89,;1.57,2.51,;.82,4.03,;2.85,3.72,;2.88,1.69,;4.25,2.42,;5.55,1.6,;6.91,2.32,;8.21,1.52,;8.16,-.02,;6.81,-.75,;5.49,.06,;9.47,-.84,;9.42,-2.36,;10.82,-.1,;12.14,-.92,;13.49,-.19,;13.54,1.35,;14.8,-1,;14.91,-2.53,;16.41,-2.9,;17.13,-4.25,;18.68,-4.3,;19.49,-2.99,;18.75,-1.63,;17.21,-1.59,;16.22,-.4,)|
BDBM50139100 Brc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:12.12,wD:15.19,(-1.88,-5.71,;-.53,-4.98,;.79,-5.79,;2.15,-5.07,;2.19,-3.54,;.89,-2.71,;-.48,-3.44,;3.54,-2.82,;2.78,-1.31,;4.83,-1.61,;4.85,-3.64,;6.21,-2.91,;7.52,-3.73,;8.87,-3.01,;10.18,-3.81,;10.13,-5.35,;8.78,-6.09,;7.46,-5.27,;11.43,-6.16,;11.39,-7.7,;12.79,-5.44,;14.09,-6.25,;15.45,-5.53,;15.49,-3.99,;16.77,-6.33,;16.87,-7.87,;18.36,-8.23,;19.18,-6.93,;18.19,-5.74,)|
BDBM50139101 Clc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-3.68,.26,;-2.31,.99,;-.99,.18,;.36,.9,;.4,2.43,;-.9,3.26,;-2.25,2.53,;1.76,3.15,;1,4.66,;3.04,4.36,;3.06,2.33,;4.43,3.05,;5.74,2.24,;7.1,2.96,;8.39,2.16,;8.35,.62,;7,-.12,;5.67,.7,;9.65,-.19,;9.61,-1.73,;11.01,.53,;12.32,-.28,;13.67,.44,;13.72,1.98,;14.98,-.36,;15.09,-1.9,;16.59,-2.26,;17.31,-3.62,;18.86,-3.67,;19.67,-2.34,;18.92,-.99,;17.4,-.96,;16.4,.23,)|
BDBM50139102 Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:12.12,wD:15.19,(-2.11,-5.71,;-.76,-4.98,;.56,-5.79,;1.91,-5.07,;1.96,-3.54,;.65,-2.71,;-.72,-3.44,;3.31,-2.82,;2.55,-1.31,;4.59,-1.61,;4.62,-3.64,;5.98,-2.91,;7.28,-3.73,;8.64,-3.01,;9.94,-3.81,;9.9,-5.35,;8.54,-6.09,;7.23,-5.27,;11.2,-6.16,;11.15,-7.7,;12.55,-5.44,;13.86,-6.25,;15.21,-5.53,;15.26,-3.99,;16.53,-6.33,;16.63,-7.87,;18.13,-8.23,;18.94,-6.93,;17.96,-5.74,)|
BDBM50139103 O=C(NNC(=O)c1cccs1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wU:14.15,wD:11.11,(10.48,-7.7,;10.53,-6.16,;11.88,-5.44,;13.18,-6.25,;14.54,-5.53,;14.58,-3.99,;15.86,-6.33,;15.96,-7.87,;17.45,-8.23,;18.27,-6.93,;17.28,-5.74,;9.22,-5.35,;9.27,-3.81,;7.96,-3.01,;6.61,-3.73,;5.3,-2.91,;3.94,-3.64,;2.64,-2.82,;1.87,-1.31,;3.92,-1.61,;1.28,-3.54,;1.24,-5.07,;-.12,-5.79,;-1.44,-4.98,;-1.39,-3.44,;-.02,-2.71,;6.55,-5.27,;7.87,-6.09,)|
BDBM50139104 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:20.20,wD:23.27,(-2.77,-5.33,;-1.46,-6.14,;-1.52,-7.67,;-.11,-5.41,;1.21,-6.23,;2.57,-5.5,;3.65,-6.58,;5.14,-6.19,;3.25,-8.08,;2.61,-3.97,;1.31,-3.15,;-.06,-3.87,;1.29,-1.61,;2.62,-.82,;-.05,-.85,;3.96,-3.25,;5.25,-2.04,;3.2,-1.73,;5.27,-4.07,;6.63,-3.34,;7.94,-4.16,;9.29,-3.44,;10.6,-4.24,;10.55,-5.78,;9.2,-6.51,;7.88,-5.7,;11.86,-6.6,;11.81,-8.12,;13.21,-5.86,;14.51,-6.68,;15.87,-5.96,;15.91,-4.42,;17.19,-6.76,;17.29,-8.29,;18.78,-8.66,;19.6,-7.35,;18.61,-6.18,)|
BDBM50139105 Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-2.29,-.98,;-.93,-.24,;.38,-1.06,;1.73,-.33,;1.78,1.19,;.47,2.02,;-.88,1.3,;3.13,1.91,;2.38,3.42,;4.42,3.12,;4.44,1.1,;5.81,1.82,;7.11,1,;8.47,1.73,;9.77,.92,;9.72,-.61,;8.37,-1.35,;7.05,-.54,;11.03,-1.43,;10.98,-2.97,;12.38,-.71,;13.7,-1.52,;15.05,-.79,;15.1,.75,;16.36,-1.59,;16.47,-3.13,;17.96,-3.5,;18.69,-4.86,;20.24,-4.91,;21.04,-3.58,;20.31,-2.22,;18.77,-2.19,;17.78,-1.01,)|
BDBM50139106 O=C(NNC(=O)c1cc2ccccc2s1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1 |wU:18.20,wD:15.16,(10.69,-5.05,;10.74,-3.52,;12.09,-2.79,;13.41,-3.6,;14.76,-2.88,;14.81,-1.34,;16.07,-3.69,;16.18,-5.21,;17.68,-5.59,;18.4,-6.94,;19.96,-6.99,;20.76,-5.67,;20.03,-4.32,;18.49,-4.28,;17.49,-3.1,;9.43,-2.71,;9.48,-1.17,;8.18,-.36,;6.82,-1.08,;5.51,-.26,;4.14,-.99,;2.83,-.17,;4.12,1.04,;2.08,1.35,;1.48,-.89,;1.43,-2.43,;.08,-3.15,;-1.24,-2.33,;-1.18,-.79,;-2.47,.02,;-2.43,1.54,;-1.07,2.28,;.23,1.46,;.17,-.08,;6.75,-2.62,;8.08,-3.44,)|
BDBM50139107 O=C(NNC(=O)c1cccs1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1 |wU:14.15,wD:11.11,(11.06,-8.14,;11.11,-6.61,;12.46,-5.88,;13.77,-6.68,;15.12,-5.96,;15.17,-4.42,;16.44,-6.77,;16.54,-8.29,;18.04,-8.66,;18.85,-7.35,;17.87,-6.19,;9.8,-5.79,;9.85,-4.25,;8.54,-3.44,;7.19,-4.16,;5.89,-3.34,;4.52,-4.07,;3.22,-3.25,;4.5,-2.04,;2.46,-1.75,;1.87,-3.97,;1.82,-5.51,;.47,-6.24,;-.86,-5.42,;-.81,-3.88,;-2.09,-3.06,;-2.04,-1.55,;-.69,-.82,;.61,-1.63,;.56,-3.16,;7.14,-5.7,;8.45,-6.51,)|
BDBM50139108 O=C(NNC(=O)c1cc2ccccc2s1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wU:18.20,wD:15.16,(14.14,-4.99,;14.19,-3.46,;15.54,-2.73,;16.84,-3.53,;18.2,-2.81,;18.24,-1.27,;19.5,-3.62,;19.62,-5.15,;21.11,-5.51,;21.85,-6.88,;23.4,-6.93,;24.21,-5.6,;23.47,-4.25,;21.93,-4.21,;20.94,-3.04,;12.88,-2.64,;12.93,-1.1,;11.62,-.29,;10.27,-1.01,;8.96,-.19,;7.6,-.92,;6.3,-.1,;5.53,1.4,;7.58,1.11,;4.94,-.82,;4.9,-2.36,;3.54,-3.09,;2.22,-2.27,;2.27,-.73,;3.64,-.01,;10.21,-2.55,;11.53,-3.37,)|
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
BDBM50142761 CCc1sc(CCc2cc(OC(C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142762 CCc1sc(CCc2cc(OCCCc3cccnc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142763 CCc1sc(CCc2cc(cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
BDBM50142764 CCc1sc(CCc2cc(OCCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142765 CCCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
BDBM50142766 CCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
BDBM50142767 CCc1sc(CCc2cc(OCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142768 CCc1sc(CCc2cc(OCC(C)(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142769 CCc1sc(CCc2cc(OC3CCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142770 CCC(CC)Oc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
BDBM50142771 CCc1sc(CCc2cc(OCC3(C)CC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142772 CCc1sc(CCc2cc(OCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142773 CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142774 CCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
BDBM50142775 CCc1sc(CCc2cc(OC(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142777 CCc1sc(CCc2cc(OC3CCCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142778 CCc1sc(CCc2cc(OC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50142779 CCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
BDBM50142780 CCCCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
BDBM50142781 CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
BDBM50142782 CCc1sc(CCc2cc(OC3CCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
BDBM50156311 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2OC)=NC#N)c1 |w:41.44,c:13,t:10|
BDBM50156312 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2O)c1 |c:13,t:10|
BDBM50156313 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2OC)c1 |c:13,t:10|
BDBM50156314 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2O)=NC#N)c1 |w:40.43,c:13,t:10|
BDBM50156315 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2cccc(Cl)c2)c1 |c:13,t:10|
BDBM50156316 COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(NC([N-]CCNC2CCN(CC2)c2ccccc2[N+]([O-])=O)=[NH+]C#N)c1)C(=[OH+])OC |w:38.41,c:4,9|
BDBM50156317 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2SC)=NC#N)c1 |w:41.44,c:13,t:10|
BDBM50156318 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C)=NC#N)c1 |w:40.43,c:13,t:10|
BDBM50156319 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2)c1 |c:13,t:10|
BDBM50156320 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C(F)(F)F)c1 |c:13,t:10|
BDBM50156321 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2cccc(Cl)c2)=NC#N)c1 |w:40.43,c:13,t:10|
BDBM50156322 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2SC)c1 |c:13,t:10|
BDBM50156323 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C#N)=NC#N)c1 |w:41.44,c:13,t:10|
BDBM50156324 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2OC(F)(F)F)c1 |c:13,t:10|
BDBM50156325 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2)=NC#N)c1 |w:39.42,c:13,t:10|
BDBM50156326 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C#N)c1 |c:13,t:10|
BDBM50156327 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C(F)(F)F)=NC#N)c1 |w:43.46,c:13,t:10|
BDBM50156328 COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2[N+]([O-])=O)c1)C(=[OH+])OC |c:4,9|
BDBM50156329 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2OC(F)(F)F)=NC#N)c1 |w:44.47,c:13,t:10|
BDBM50156330 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCCN2CCN(CC2)c2cccc(OC)c2)=NC#N)c1 |w:41.44,c:13,t:10|
BDBM50156331 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C)c1 |c:13,t:10|
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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BDBM50197020 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)cc1)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:74.76,75.79,4.4,92.94,20.28,59.61,112.114,wD:67.69,8.17,30.39,81.83,51.53,101.103,(11.85,2.11,;11.85,.57,;13.19,-.2,;10.52,-.2,;10.52,-1.74,;9.18,-2.5,;7.85,-1.73,;7.85,-.19,;6.52,-2.5,;6.52,-4.04,;7.85,-4.81,;9.18,-4.04,;10.52,-4.81,;10.52,-6.35,;11.83,-7.11,;9.18,-7.12,;7.85,-6.35,;5.18,-1.73,;3.86,-2.51,;3.86,-4.05,;2.53,-1.74,;2.53,-.2,;3.86,.57,;5.27,-.06,;6.3,1.09,;5.53,2.42,;4.02,2.1,;1.19,-2.5,;-.15,-1.73,;-.15,-.19,;-1.47,-2.5,;-1.47,-4.04,;-.15,-4.81,;-.15,-6.35,;1.19,-7.12,;1.2,-8.66,;-.15,-9.43,;2.51,-9.43,;-2.81,-1.74,;-4.13,-2.53,;-4.13,-4.07,;-5.47,-1.76,;-5.47,-.22,;-6.8,.55,;-8.13,-.22,;-9.47,.55,;-8.13,-1.77,;-6.79,-2.53,;11.85,-2.51,;11.85,-4.05,;13.18,-1.73,;14.51,-2.5,;14.51,-4.04,;15.84,-4.81,;17.17,-4.03,;15.84,-6.35,;15.84,-1.73,;15.84,-.19,;17.18,-2.5,;18.51,-1.73,;18.51,-.19,;19.84,.58,;19.84,2.12,;21.18,-.19,;19.84,-2.5,;19.84,-4.04,;21.17,-1.73,;22.51,-2.5,;22.51,-4.04,;23.83,-4.81,;21.17,-4.81,;23.83,-1.73,;23.83,-.19,;25.17,-2.5,;26.51,-1.73,;26.51,-.19,;25.17,.58,;27.83,.59,;27.83,-2.5,;27.83,-4.04,;29.16,-1.72,;30.49,-2.5,;30.49,-4.04,;31.82,-4.81,;31.82,-6.35,;33.16,-7.11,;33.16,-8.65,;31.82,-9.41,;34.5,-9.41,;31.82,-1.73,;31.82,-.19,;33.16,-2.49,;34.5,-1.73,;34.5,-.19,;35.83,.58,;35.83,2.12,;34.49,2.9,;37.16,2.89,;35.83,-2.5,;35.83,-4.04,;37.16,-1.73,;38.49,-2.5,;38.49,-4.04,;39.82,-4.81,;39.82,-6.35,;41.16,-7.11,;41.16,-8.65,;39.82,-9.42,;42.49,-9.42,;39.82,-1.73,;39.82,-.19,;41.15,-2.5,;42.49,-1.73,;42.49,-.19,;43.82,.58,;45.16,-.19,;46.49,.58,;46.49,2.12,;47.82,2.89,;45.16,2.89,;43.82,2.12,;43.82,-2.5,;45.16,-1.73,;43.82,-4.04,)|
BDBM50197021 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)c1ccccc1)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:73.75,74.78,4.4,91.93,20.28,58.60,111.113,wD:66.68,8.17,30.39,80.82,50.52,100.102,(12.08,-14.52,;12.08,-16.06,;13.42,-16.83,;10.75,-16.83,;10.75,-18.37,;9.41,-19.13,;8.08,-18.36,;8.08,-16.82,;6.75,-19.13,;6.75,-20.67,;8.08,-21.44,;9.41,-20.67,;10.75,-21.44,;10.75,-22.98,;12.06,-23.74,;9.41,-23.75,;8.08,-22.98,;5.41,-18.36,;4.09,-19.14,;4.09,-20.68,;2.76,-18.37,;2.76,-16.83,;4.09,-16.06,;5.49,-16.69,;6.53,-15.54,;5.76,-14.21,;4.25,-14.53,;1.42,-19.13,;.08,-18.36,;.08,-16.82,;-1.25,-19.13,;-1.25,-20.67,;.08,-21.44,;.08,-22.98,;1.42,-23.75,;1.43,-25.29,;.08,-26.06,;2.74,-26.06,;-2.58,-18.37,;-3.91,-19.15,;-3.9,-20.69,;-5.24,-18.39,;-5.24,-16.85,;-6.57,-16.08,;-7.91,-16.85,;-7.9,-18.4,;-6.57,-19.16,;12.08,-19.14,;12.08,-20.68,;13.41,-18.36,;14.74,-19.13,;14.74,-20.67,;16.07,-21.44,;17.4,-20.66,;16.07,-22.98,;16.07,-18.36,;16.07,-16.82,;17.4,-19.13,;18.74,-18.36,;18.74,-16.82,;20.07,-16.05,;20.07,-14.51,;21.41,-16.82,;20.07,-19.13,;20.07,-20.67,;21.4,-18.36,;22.73,-19.13,;22.73,-20.67,;24.06,-21.44,;21.4,-21.44,;24.06,-18.36,;24.06,-16.82,;25.4,-19.13,;26.73,-18.36,;26.73,-16.82,;25.4,-16.05,;28.06,-16.04,;28.06,-19.13,;28.06,-20.67,;29.39,-18.35,;30.72,-19.13,;30.72,-20.67,;32.05,-21.44,;32.05,-22.98,;33.39,-23.74,;33.39,-25.28,;32.05,-26.04,;34.73,-26.04,;32.05,-18.36,;32.05,-16.82,;33.39,-19.12,;34.73,-18.36,;34.73,-16.82,;36.05,-16.05,;36.05,-14.51,;34.72,-13.73,;37.39,-13.74,;36.05,-19.13,;36.05,-20.67,;37.39,-18.36,;38.72,-19.13,;38.72,-20.67,;40.05,-21.44,;40.05,-22.98,;41.38,-23.74,;41.38,-25.28,;40.05,-26.05,;42.72,-26.05,;40.05,-18.36,;40.05,-16.82,;41.38,-19.13,;42.72,-18.36,;42.72,-16.82,;44.05,-16.05,;45.38,-16.82,;46.72,-16.05,;46.72,-14.51,;48.05,-13.74,;45.38,-13.74,;44.05,-14.51,;44.05,-19.13,;45.38,-18.36,;44.05,-20.67,)|
BDBM50197022 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)c(C)c1)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,(11.41,4.2,;11.41,2.66,;12.75,1.89,;10.08,1.89,;10.08,.35,;8.74,-.4,;7.4,.36,;7.4,1.9,;6.08,-.41,;6.08,-1.95,;7.4,-2.72,;8.74,-1.95,;10.08,-2.72,;10.08,-4.26,;11.39,-5.02,;8.74,-5.03,;7.4,-4.26,;4.74,.36,;3.41,-.42,;3.41,-1.96,;2.09,.35,;2.09,1.89,;3.41,2.66,;4.82,2.03,;5.86,3.18,;5.09,4.51,;3.58,4.19,;.75,-.41,;-.59,.36,;-.59,1.9,;-1.92,-.41,;-1.92,-1.95,;-.59,-2.72,;-.59,-4.26,;.75,-5.03,;.75,-6.57,;-.6,-7.34,;2.07,-7.34,;-3.25,.35,;-4.58,-.43,;-4.57,-1.97,;-5.91,.33,;-5.91,1.87,;-7.24,2.64,;-8.58,1.87,;-9.91,2.64,;-8.57,.32,;-9.9,-.45,;-7.24,-.44,;11.41,-.42,;11.41,-1.96,;12.74,.36,;14.07,-.41,;14.07,-1.95,;15.4,-2.72,;16.72,-1.94,;15.4,-4.26,;15.4,.36,;15.4,1.9,;16.73,-.41,;18.07,.36,;18.07,1.9,;19.4,2.67,;19.4,4.21,;20.74,1.9,;19.4,-.41,;19.4,-1.95,;20.73,.36,;22.06,-.41,;22.06,-1.95,;23.39,-2.72,;20.73,-2.72,;23.39,.36,;23.39,1.9,;24.73,-.41,;26.06,.36,;26.06,1.9,;24.73,2.67,;27.39,2.68,;27.39,-.41,;27.39,-1.95,;28.72,.37,;30.05,-.41,;30.05,-1.95,;31.38,-2.72,;31.38,-4.26,;32.72,-5.02,;32.72,-6.56,;31.38,-7.32,;34.05,-7.32,;31.38,.36,;31.38,1.9,;32.72,-.4,;34.06,.36,;34.06,1.9,;35.38,2.67,;35.38,4.21,;34.05,4.99,;36.72,4.98,;35.38,-.41,;35.38,-1.95,;36.72,.37,;38.05,-.41,;38.05,-1.95,;39.38,-2.72,;39.38,-4.26,;40.71,-5.02,;40.71,-6.56,;39.38,-7.32,;42.05,-7.32,;39.38,.36,;39.38,1.9,;40.71,-.4,;42.05,.36,;42.05,1.9,;43.38,2.67,;44.71,1.9,;46.05,2.67,;46.05,4.21,;47.38,4.98,;44.71,4.98,;43.38,4.21,;43.38,-.41,;44.71,.36,;43.38,-1.95,)|
BDBM50199569 CN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
BDBM50199570 CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
BDBM50199571 CCN1CCCC1CNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1 |w:6.7|
BDBM50199572 CN(C)CCN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
BDBM50199573 CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CC3CCCNC3)c3ccccc3c2c1 |w:23.24|
BDBM50199574 CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCN(C)C[C@H]3F)c3ccccc3c2c1
BDBM50199575 CN1CCC(Cn2c3ccccc3c3cc(cc(Oc4ccc(Cl)cc4)c23)C(=O)N2CCN(C)CC2)CC1
BDBM50199576 F[C@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCN(CC(F)(F)F)CC1
BDBM50199577 CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CCCN3CCCCC3)c3ccccc3c2c1
BDBM50199578 F[C@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCn2ccnc2C1
BDBM50199579 CN(C)CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
BDBM50199580 CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCN(C)C[C@@H]3F)c3ccccc3c2c1
BDBM50199581 CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCN(C[C@@H]3F)C3CC3)c3ccccc3c2c1
BDBM50199582 F[C@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCc2nc[nH]c2C1
BDBM50199583 CN(C)C1CCN(C1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1 |w:3.2|
BDBM50199584 CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CC3=C(F)CNCC3)c3ccccc3c2c1 |c:25|
BDBM50199585 CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@@H]3F)c3ccccc3c2c1
BDBM50199586 CN(C)C(=O)CN1CCC(Cn2c3ccccc3c3cc(cc(Oc4ccc(Cl)cc4)c23)C(=O)N2CCN(C)CC2)CC1
BDBM50199587 CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CC3CCNCC3)c3ccccc3c2c1
BDBM50199588 OCCN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@@H]3F)c3ccccc3c2c1
BDBM50199589 F[C@@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCN(CC1)C1CC1
BDBM50199590 CN1CCCC1CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1 |w:5.6|
BDBM50199591 OC1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@@H]3F)c3ccccc3c2c1
BDBM50205094 CC(C)C[C@H](NC(C)=O)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](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(=O)N[C@@H](CS)C(N)=O |wU:4.4,78.81,45.46,95.96,23.22,61.62,115.116,77.78,wD:33.33,12.11,84.85,53.54,104.105,69.70,127.129,(-16.44,-20.9,;-16.44,-22.44,;-15.11,-23.21,;-17.79,-23.21,;-17.79,-24.75,;-19.12,-25.52,;-20.46,-24.75,;-21.79,-25.52,;-20.46,-23.21,;-16.44,-25.52,;-16.44,-27.06,;-15.12,-24.73,;-13.8,-25.51,;-13.8,-27.05,;-12.45,-27.82,;-12.45,-29.36,;-11.11,-30.11,;-11.12,-31.65,;-12.47,-32.41,;-9.78,-32.42,;-12.45,-24.74,;-12.45,-23.2,;-11.11,-25.49,;-9.77,-24.73,;-9.77,-23.19,;-8.43,-22.42,;-7.03,-23.06,;-5.99,-21.91,;-6.76,-20.58,;-8.27,-20.89,;-8.43,-25.5,;-8.43,-27.04,;-7.11,-24.71,;-5.78,-25.48,;-5.78,-27.02,;-4.44,-27.79,;-3.11,-27.02,;-1.78,-27.79,;-1.78,-29.33,;-.46,-30.08,;-3.11,-30.1,;-4.44,-29.33,;-4.44,-24.71,;-4.44,-23.17,;-3.11,-25.48,;-1.77,-24.71,;-1.77,-23.17,;-.43,-22.4,;-.43,-20.86,;.91,-23.17,;-.43,-25.48,;-.43,-27.02,;.9,-24.71,;2.23,-25.49,;2.23,-27.03,;3.56,-27.8,;4.9,-27.01,;3.56,-29.34,;3.56,-24.72,;3.56,-23.18,;4.9,-25.48,;6.24,-24.71,;6.24,-23.17,;7.58,-22.4,;7.58,-20.86,;8.91,-23.17,;7.58,-25.48,;7.58,-27.02,;8.91,-24.72,;10.25,-25.49,;10.24,-27.03,;11.58,-27.81,;11.57,-29.35,;12.91,-27.04,;11.58,-24.72,;11.58,-23.18,;12.92,-25.49,;14.25,-24.73,;14.25,-23.19,;12.92,-22.42,;15.55,-22.39,;15.59,-25.5,;15.59,-27.04,;16.91,-24.7,;18.23,-25.48,;18.23,-27.02,;19.57,-27.79,;19.57,-29.33,;20.91,-30.09,;20.94,-31.63,;19.57,-32.37,;22.25,-32.38,;19.57,-24.71,;19.57,-23.17,;20.91,-25.47,;22.26,-24.72,;22.26,-23.18,;23.6,-22.41,;23.6,-20.87,;22.25,-20.08,;24.93,-20.1,;23.6,-25.49,;23.6,-27.03,;24.92,-24.71,;26.25,-25.49,;26.25,-27.03,;27.59,-27.8,;27.59,-29.34,;28.93,-30.1,;28.94,-31.64,;27.59,-32.39,;30.27,-32.4,;27.59,-24.72,;27.59,-23.18,;28.92,-25.49,;30.26,-24.72,;30.26,-23.18,;31.6,-22.41,;32.93,-23.18,;34.26,-22.41,;34.26,-20.87,;35.6,-20.1,;32.93,-20.1,;31.6,-20.87,;31.6,-25.49,;31.6,-27.03,;32.93,-24.72,;34.26,-25.49,;34.26,-27.03,;35.6,-27.8,;35.59,-24.72,;36.93,-25.49,;35.59,-23.18,)|
BDBM50205095 CC(C)C[C@H](NC(=O)[C@H](CS)NC(C)=O)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](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:84.87,51.52,101.102,29.28,67.68,121.122,4.4,83.84,wD:8.10,39.39,18.17,90.91,59.60,110.111,75.76,(-8.63,-37.13,;-8.63,-38.67,;-7.29,-39.44,;-9.96,-39.44,;-9.96,-40.98,;-11.29,-41.76,;-12.63,-40.99,;-12.63,-39.45,;-13.96,-41.76,;-13.96,-43.3,;-15.3,-44.07,;-15.29,-40.99,;-16.63,-41.76,;-17.96,-40.99,;-16.63,-43.3,;-8.63,-41.75,;-8.63,-43.29,;-7.3,-40.98,;-5.97,-41.77,;-5.97,-43.31,;-4.63,-44.08,;-4.63,-45.62,;-3.28,-46.37,;-3.3,-47.91,;-4.64,-48.68,;-1.96,-48.68,;-4.63,-41,;-4.63,-39.46,;-3.28,-41.75,;-1.95,-40.98,;-1.95,-39.44,;-.61,-38.67,;.8,-39.31,;1.83,-38.16,;1.06,-36.83,;-.45,-37.14,;-.61,-41.75,;-.61,-43.29,;.72,-40.97,;2.06,-41.74,;2.06,-43.28,;3.38,-44.05,;4.71,-43.28,;6.04,-44.05,;6.04,-45.59,;7.37,-46.35,;4.71,-46.36,;3.38,-45.59,;3.38,-40.97,;3.38,-39.43,;4.72,-41.74,;6.05,-40.96,;6.05,-39.42,;7.39,-38.65,;7.39,-37.11,;8.74,-39.42,;7.39,-41.73,;7.39,-43.27,;8.73,-40.97,;10.05,-41.76,;10.05,-43.3,;11.39,-44.07,;12.73,-43.28,;11.39,-45.61,;11.39,-40.99,;11.39,-39.45,;12.73,-41.75,;14.07,-40.98,;14.07,-39.44,;15.41,-38.67,;15.41,-37.13,;16.74,-39.44,;15.41,-41.75,;15.41,-43.29,;16.75,-40.98,;18.08,-41.75,;18.07,-43.29,;19.41,-44.07,;19.41,-45.61,;20.75,-43.31,;19.42,-40.98,;19.42,-39.44,;20.75,-41.76,;22.09,-40.98,;22.09,-39.44,;20.76,-38.67,;23.39,-38.65,;23.43,-41.75,;23.43,-43.29,;24.75,-40.96,;26.08,-41.73,;26.08,-43.27,;27.42,-44.04,;27.42,-45.58,;28.75,-46.35,;28.8,-47.89,;27.42,-48.64,;30.1,-48.65,;27.42,-40.96,;27.42,-39.42,;28.75,-41.73,;30.1,-40.99,;30.1,-39.45,;31.44,-38.68,;31.44,-37.14,;30.09,-36.36,;32.77,-36.37,;31.44,-41.76,;31.44,-43.3,;32.77,-40.98,;34.1,-41.76,;34.1,-43.3,;35.44,-44.07,;35.44,-45.61,;36.77,-46.37,;36.79,-47.91,;35.44,-48.67,;38.11,-48.67,;35.44,-40.99,;35.44,-39.45,;36.77,-41.76,;38.11,-40.99,;38.11,-39.45,;39.44,-38.68,;40.78,-39.45,;42.11,-38.68,;42.11,-37.14,;43.45,-36.37,;40.78,-36.37,;39.44,-37.14,;39.44,-41.76,;40.78,-40.99,;39.44,-43.3,)|
BDBM50205093 CC(C)C[C@H](NC(C)=O)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](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:4.4,77.78,78.81,45.46,95.96,23.22,61.62,115.116,wD:33.33,12.11,84.85,53.54,104.105,69.70,(-3.89,-2.95,;-3.89,-4.49,;-2.56,-5.26,;-5.23,-5.26,;-5.23,-6.8,;-6.56,-7.57,;-7.9,-6.8,;-9.23,-7.57,;-7.9,-5.26,;-3.89,-7.57,;-3.89,-9.11,;-2.56,-6.79,;-1.23,-7.57,;-1.23,-9.11,;.11,-9.88,;.11,-11.42,;1.45,-12.18,;1.44,-13.72,;.1,-14.48,;2.77,-14.48,;.11,-6.8,;.11,-5.26,;1.45,-7.56,;2.78,-6.79,;2.78,-5.25,;4.13,-4.48,;5.53,-5.11,;6.56,-3.96,;5.79,-2.63,;4.28,-2.95,;4.13,-7.56,;4.13,-9.1,;5.45,-6.78,;6.79,-7.54,;6.79,-9.08,;8.12,-9.85,;9.45,-9.08,;10.78,-9.85,;10.78,-11.39,;12.11,-12.16,;9.45,-12.16,;8.12,-11.39,;8.12,-6.77,;8.12,-5.23,;9.45,-7.54,;10.79,-6.77,;10.79,-5.23,;12.13,-4.46,;12.13,-2.92,;13.47,-5.23,;12.13,-7.54,;12.13,-9.08,;13.46,-6.77,;14.79,-7.55,;14.79,-9.09,;16.13,-9.86,;17.46,-9.09,;16.13,-11.4,;16.13,-6.78,;16.13,-5.24,;17.47,-7.55,;18.8,-6.78,;18.8,-5.24,;20.14,-4.47,;20.14,-2.93,;21.47,-5.24,;20.14,-7.55,;20.14,-9.09,;21.47,-6.78,;22.81,-7.55,;22.8,-9.09,;24.14,-9.86,;24.13,-11.4,;25.48,-9.1,;24.15,-6.78,;24.15,-5.24,;25.48,-7.55,;26.82,-6.8,;26.82,-5.26,;25.49,-4.49,;28.14,-4.48,;28.16,-7.57,;28.16,-9.11,;29.49,-6.78,;30.82,-7.56,;30.82,-9.1,;32.16,-9.87,;32.16,-11.41,;33.49,-12.18,;33.52,-13.72,;32.16,-14.47,;34.83,-14.48,;32.16,-6.79,;32.16,-5.25,;33.49,-7.56,;34.84,-6.8,;34.84,-5.26,;36.18,-4.49,;36.18,-2.95,;34.83,-2.18,;37.5,-2.18,;36.18,-7.57,;36.18,-9.11,;37.51,-6.8,;38.84,-7.57,;38.84,-9.11,;40.18,-9.88,;40.18,-11.42,;41.51,-12.19,;41.52,-13.73,;40.18,-14.49,;42.85,-14.49,;40.18,-6.8,;40.18,-5.26,;41.51,-7.57,;42.84,-6.8,;42.84,-5.26,;44.19,-4.49,;45.51,-5.26,;46.85,-4.49,;46.85,-2.95,;48.19,-2.18,;45.51,-2.18,;44.19,-2.95,;44.19,-7.57,;45.51,-6.8,;44.19,-9.11,)|
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,)|
BDBM50246613 CC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:6.6|
BDBM50246614 COC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7|
BDBM50246615 CCCNC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:6.6|
BDBM50246646 CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7|
BDBM50246647 CCOC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:8.8|
BDBM50246648 CCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:8.8|
BDBM50246649 CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12|
BDBM50273943 [NH3+]C(NC(=O)c1ccc(Cn2cc(C[NH+](Cc3cn(Cc4ccc(cc4)C(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)Cc3cn(Cc4ccc(cc4)C(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)nn2)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:31.32,119.131,81.87|
BDBM50273944 [NH3+]C(NC(=O)CCCn1cc(nn1)-c1ccc(cc1)-c1cn(CCCC(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:30.32,64.70|
BDBM50273945 [NH3+]C(NC(=O)CCCn1cc(COCCOCCOCCOCCOCc2cn(CCCC(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)nn1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:73.78,37.37|
BDBM50273946 [NH3+]C(NC(=O)COCCOCCOCC(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:51.54,19.19|
BDBM50273947 [NH3+]C(NC(=O)CCCn1cc(nn1)-c1ccccc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:19.21|
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
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
BDBM50287542 CS(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
BDBM50287522 Nc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1N
BDBM50287523 Cc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
BDBM50287524 Nc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1
BDBM50287525 Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
BDBM50287526 Nc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
BDBM50287527 CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
BDBM50287528 COc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
BDBM50287529 Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1Cl
BDBM50287530 Cc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
BDBM50287531 CNc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
BDBM50287532 Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccc(Cl)cc1
BDBM50287533 Nc1ccc(cc1)S(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
BDBM50287534 Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1Br
BDBM50287535 Nc1ccc(cc1)S(=O)(=O)c1ccc2ncccc2c1[N+]([O-])=O
BDBM50287536 Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1F
BDBM50287537 Nc1ccc(Sc2cc(N)c3ncccc3c2[N+]([O-])=O)cc1
BDBM50287538 CCc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
BDBM50287539 Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
BDBM50287540 Nc1cc(NS(=O)(=O)c2ccccc2)c([N+]([O-])=O)c2cccnc12
BDBM50287541 Cc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
BDBM50296874 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(N(C)C(C)=O)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(18.3,-47.67,;16.96,-48.43,;15.63,-47.66,;14.29,-48.42,;12.97,-47.65,;12.98,-46.1,;14.31,-45.34,;15.64,-46.11,;11.65,-45.33,;10.32,-46.09,;11.66,-43.79,;10.33,-43.01,;10.34,-41.47,;9,-40.69,;7.67,-41.46,;6.34,-40.69,;5,-41.46,;6.34,-39.15,;5.01,-38.38,;5.01,-36.83,;6.34,-36.05,;7.68,-36.83,;7.68,-38.38,;7.66,-35.25,;7.62,-33.72,;9.01,-36,;10.32,-35.2,;9.04,-37.53,;5,-35.31,;4.97,-33.76,;3.63,-33.02,;2.3,-33.8,;2.32,-35.34,;3.66,-36.1,;7.67,-43,;6.33,-42.23,;6.89,-44.32,;8.99,-43.77,)|
BDBM50296876 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(Cl)nc2)C(C)(C)C1 |r|
BDBM50296877 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(OC)nc2)C(C)(C)C1 |r|
BDBM50296878 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2cccnc2)C(C)(C)C1 |r|
BDBM50296879 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1 |r|
BDBM50296880 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)F |r|
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|
BDBM50295987 CCNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
BDBM50295988 CCc1oc(CCc2cc(cc(NC)n2)N2CCOCC2)nc1C
BDBM50296882 C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(F)cc1 |r|
BDBM50296883 C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(Cl)cc1 |r|
BDBM50296884 C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(C)cc1 |r|
BDBM50296885 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N(C)C)c2ccccc2)C(C)(C)C1 |r|
BDBM50296886 COc1cccc(c1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
BDBM50296887 COc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
BDBM50296888 C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccccc1 |r|
BDBM50296889 COc1ccc(CN[C@@H]2CC[C@@H](C(=O)N3CCC(CC3)(C(=O)N3CCCC3)c3ccccc3)C(C)(C)C2)cc1 |r|
BDBM50296890 COc1ccc(cc1)[C@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
BDBM50296891 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
BDBM50296892 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
BDBM50296893 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(c2nnc(C)s2)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(48.69,-28.06,;47.35,-28.83,;46.02,-28.05,;44.68,-28.82,;43.35,-28.04,;43.37,-26.5,;44.69,-25.74,;46.02,-26.51,;42.04,-25.72,;40.71,-26.49,;42.05,-24.18,;40.72,-23.41,;40.73,-21.86,;39.39,-21.08,;38.06,-21.86,;36.73,-21.09,;35.39,-21.85,;36.73,-19.55,;35.4,-18.78,;35.4,-17.23,;36.73,-16.45,;38.07,-17.23,;38.07,-18.78,;38.05,-15.65,;38.18,-14.12,;39.67,-13.77,;40.47,-15.08,;42.01,-15.21,;39.47,-16.25,;35.38,-15.7,;35.36,-14.16,;34.02,-13.42,;32.69,-14.2,;32.71,-15.74,;34.05,-16.5,;38.06,-23.4,;36.72,-22.62,;37.28,-24.72,;39.38,-24.17,)|
BDBM50296894 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnc(C)o2)c2ccccc2)C(C)(C)C1 |r|
BDBM50296895 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnco2)c2ccccc2)C(C)(C)C1 |r|
BDBM50295989 CCCNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
BDBM50295990 CCc1oc(CCc2cc(cc(NC(C)C)n2)N2CCOCC2)nc1C
BDBM50295991 CCc1oc(CCc2cc(cc(NCCOC)n2)N2CCOCC2)nc1C
BDBM50295992 CCc1oc(CCc2cc(cc(NCC#N)n2)N2CCOCC2)nc1C
BDBM50295993 CCc1oc(CCc2cc(cc(NCCC#N)n2)N2CCOCC2)nc1C
BDBM50295994 CCOC(=O)CNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
BDBM50295995 CCc1oc(CCc2cc(cc(NC(C)=O)n2)N2CCOCC2)nc1C
BDBM50295996 CCc1oc(CCc2cc(cc(NCC(F)(F)F)n2)N2CCOCC2)nc1C
BDBM50295997 CCc1oc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)nc1C
BDBM50295998 Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)oc1C
BDBM50295999 Cc1nc(OCc2cc(cc(NCC#N)n2)N2CCOCC2)oc1C
BDBM50296000 Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)n(C)c1C
BDBM50296001 Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)sc1C
BDBM50296002 CCc1sc(CCc2cc(cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
BDBM50296870 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
BDBM50296871 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCNC2=O)c2ccccc2)C(C)(C)C1 |r|
BDBM50296872 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCOC2=O)c2ccccc2)C(C)(C)C1 |r|
BDBM50296873 COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2=O)c2ccccc2)C(C)(C)C1 |r|
BDBM50312007 C(Cc1ccc(cc1)N=C1NCCS1)Nc1nc2ccccc2s1 |w:8.8|
BDBM50312008 Cc1cccc2sc(NCCc3ccc(cc3)N=C3NCCS3)nc12 |w:17.17|
BDBM50312009 COc1cccc2sc(NCCc3ccc(cc3)N=C3NCCS3)nc12 |w:18.18|
BDBM50312010 Cc1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:16.16|
BDBM50312011 COc1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:17.17|
BDBM50312012 Fc1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:16.16|
BDBM50312013 Clc1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:16.16|
BDBM50312014 [O-][N+](=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:18.18|
BDBM50312015 CS(=O)(=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:19.19|
BDBM50312016 Clc1cc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2cc1Cl |w:15.15|
BDBM50312017 C(Cc1ccc(cc1)N=C1NCCCS1)Nc1nc2ccccc2s1 |w:8.8|
BDBM50312018 Cc1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:16.16|
BDBM50312019 COc1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:17.17|
BDBM50312020 Fc1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:16.16|
BDBM50312021 Clc1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:16.16|
BDBM50312022 [O-][N+](=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:18.18|
BDBM50312023 CS(=O)(=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:19.19|
BDBM50312024 Clc1cc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2cc1Cl |w:15.15|
BDBM50312025 C[C@@H]1CSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |r,w:6.7|
BDBM50312026 CC[C@@H]1CSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |r,w:7.8|
BDBM50312027 CCCC1CSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:8.9|
BDBM50312028 CCCCC1CSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:9.10|
BDBM50312029 CC(C)C[C@@H]1CSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |r,w:9.10|
BDBM50312030 C(Cc1ccc(cc1)N=C1N[C@@H](CS1)c1ccccc1)Nc1nc2ccccc2s1 |r,w:8.8|
BDBM50312031 COC1CNC(S1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:7.8|
BDBM50312032 CC1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:7.8|
BDBM50312033 CC(C)C1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:9.10|
BDBM50312034 CC(C)CC1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:10.11|
BDBM50312035 C(Cc1ccc(cc1)N=C1NC(CCc2ccccc2)CCS1)Nc1nc2ccccc2s1 |w:8.8|
BDBM50312036 C(Cc1ccc(cc1)N=C1NC(CCS1)C1CCCCC1)Nc1nc2ccccc2s1 |w:8.8|
BDBM50312037 C(Cc1ccc(cc1)N=C1NC(CCS1)c1ccccc1)Nc1nc2ccccc2s1 |w:8.8|
BDBM50312038 COc1ccc(cc1)C1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:14.16|
BDBM50312039 Clc1ccc(cc1)C1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:13.15|
BDBM50312040 Clc1cccc(c1)C1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:13.15|
BDBM50312041 Clc1ccccc1C1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:13.15|
BDBM50312042 C(Cc1ccc(cc1)N=C1N[C@@H](CCS1)c1ccccc1)Nc1nc2ccccc2s1 |r,w:8.8|
BDBM50312043 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
BDBM50301194 Cc1nc(SCc2cc(cc(NCc3ccc(F)nc3)n2)N2CCOCC2)oc1C
BDBM50301195 Cc1nc(SCc2cc(cc(NCc3cccnc3F)n2)N2CCOCC2)oc1C
BDBM50301196 Cc1nc(SCc2cc(cc(NCc3ccnc(F)c3)n2)N2CCOCC2)oc1C
BDBM50301197 Cc1nc(SCc2cc(cc(NCc3cccc(F)n3)n2)N2CCOCC2)oc1C
BDBM50301198 COCc1cccc(CNc2cc(cc(CSc3nc(C)c(C)o3)n2)N2CCOCC2)n1
BDBM50301199 Cc1nc(SCc2cc(cc(NCc3cccc(COCCF)n3)n2)N2CCOCC2)oc1C
BDBM50301200 Cc1nc(SCc2cc(cc(NCc3cccc(CF)n3)n2)N2CCOCC2)oc1C
BDBM50301201 Cc1nc(SCc2cc(cc(NCc3cccc(OCCF)n3)n2)N2CCOCC2)oc1C
BDBM50301202 Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)oc1C
BDBM50301203 Cc1nc(SCc2cc(cc(NCc3cccc(F)n3)n2)N2CCSCC2)oc1C
BDBM50301204 Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCSCC2)oc1C
BDBM50301205 Cc1nc(SCc2cc(cc(NCc3cccc(F)n3)n2)N2CCS(=O)(=O)CC2)oc1C
BDBM50301206 Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCS(=O)(=O)CC2)oc1C
BDBM50301207 CCc1oc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1C
BDBM50301208 Cc1cccc(CNc2cc(cc(CSc3nc4CCCCc4o3)n2)N2CCOCC2)n1
BDBM50301209 Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)sc1C
BDBM50301210 Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)sc1CF
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,)|
BDBM50309857 [#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]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-1)-[#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|
BDBM50309858 [#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]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6]-[#6]-1)-[#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|
BDBM50309859 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#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|
BDBM50309860 [#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]-[#6]-[#6]-[#6]-[#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 |r|
BDBM50309854 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#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]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-1)-[#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|
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|
BDBM50325612 NC(=O)CCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:19.19|
BDBM50325613 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50325600 CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:29.29|
BDBM50325601 CCCCCCCCCCCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:20.20|
BDBM50325602 NC(NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:24.28|
BDBM50325603 NC(NC(=O)COCCOCCOCC(=O)NCCNC(=O)C1=C2C=Cc3cccc4CC=C(C=C1)C2c34)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:38.42,c:22,24,34,t:32|
BDBM50325604 NC(NC(=O)CCCCCCC(=O)NCCC(=O)OCc1ccccc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:26.27|
BDBM50325605 COC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.15|
BDBM50325606 CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:30.30|
BDBM50325607 COC(=O)CCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:20.20|
BDBM50325608 NC(NC(=O)CCCn1cc(CO)nn1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.16|
BDBM50325609 NCc1cn(CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 |r,w:13.13|
BDBM50325610 NC(NC(=O)CCC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:21.22|
BDBM50325611 NC(NC(=O)CCCCCCC(=O)NCCC(O)=O)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:19.19|
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,)|
BDBM50342722 COc1cc(Cl)c(-c2c(C)nn3c(NCCNCC(F)F)cc(C)nc23)c(Cl)c1 |(41.2,-48.94,;42.74,-48.92,;43.49,-47.58,;42.71,-46.25,;43.46,-44.91,;42.69,-43.58,;45,-44.9,;45.76,-43.56,;44.85,-42.31,;43.31,-42.31,;45.76,-41.06,;47.23,-41.54,;48.56,-40.77,;48.56,-39.23,;49.89,-38.46,;51.22,-39.22,;52.56,-38.45,;53.88,-39.23,;55.22,-38.47,;55.23,-36.93,;56.55,-39.24,;49.9,-41.53,;49.9,-43.08,;51.24,-43.85,;48.56,-43.86,;47.23,-43.09,;45.79,-46.21,;47.33,-46.19,;45.04,-47.56,)|
BDBM50342723 COc1cc(Cl)c(-c2c(C)nn3c(NCCNCCF)cc(C)nc23)c(Cl)c1 |(22.02,-50.44,;23.56,-50.42,;24.32,-49.08,;23.54,-47.75,;24.29,-46.41,;23.51,-45.08,;25.83,-46.4,;26.59,-45.06,;25.68,-43.81,;24.14,-43.81,;26.59,-42.56,;28.06,-43.04,;29.39,-42.27,;29.38,-40.73,;30.72,-39.96,;32.05,-40.73,;33.38,-39.95,;34.71,-40.73,;36.05,-39.97,;36.06,-38.43,;30.72,-43.04,;30.73,-44.59,;32.06,-45.35,;29.39,-45.36,;28.06,-44.59,;26.62,-47.72,;28.16,-47.69,;25.87,-49.06,)|
BDBM50342724 COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCCCC4F)cc(C)nc23)c(Cl)c1 |(6.22,-49.39,;7.76,-49.38,;8.52,-48.03,;7.73,-46.71,;8.49,-45.37,;7.71,-44.04,;10.02,-45.36,;10.78,-44.02,;9.87,-42.77,;8.33,-42.76,;10.78,-41.52,;12.26,-42,;13.58,-41.23,;13.58,-39.69,;14.91,-38.92,;16.25,-39.68,;17.58,-38.91,;18.91,-39.69,;18.89,-41.23,;20.21,-42.01,;21.55,-41.25,;21.57,-39.71,;20.24,-38.93,;20.25,-37.39,;14.92,-41.99,;14.92,-43.54,;16.26,-44.31,;13.59,-44.32,;12.25,-43.54,;10.81,-46.67,;12.35,-46.65,;10.06,-48.01,)|
BDBM50342725 COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1 |(-12.37,-47.14,;-10.82,-47.12,;-10.07,-45.78,;-10.85,-44.45,;-10.09,-43.11,;-10.87,-41.78,;-8.56,-43.11,;-7.8,-41.76,;-8.71,-40.51,;-10.25,-40.51,;-7.8,-39.26,;-6.33,-39.74,;-5,-38.97,;-5,-37.43,;-3.67,-36.66,;-2.33,-37.43,;-3.11,-38.76,;-1.57,-38.76,;-1,-36.66,;.33,-37.43,;.31,-38.97,;1.63,-39.75,;2.97,-39,;2.99,-37.46,;1.66,-36.67,;-3.66,-39.74,;-3.66,-41.29,;-2.32,-42.06,;-4.99,-42.06,;-6.33,-41.29,;-7.77,-44.42,;-6.23,-44.39,;-8.52,-45.76,)|
BDBM50342726 COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1 |(34.35,-35.54,;35.89,-35.52,;36.65,-34.18,;35.86,-32.85,;36.62,-31.51,;35.84,-30.19,;38.16,-31.51,;38.91,-30.17,;38.01,-28.91,;36.47,-28.91,;38.92,-27.66,;40.39,-28.14,;41.72,-27.38,;41.71,-25.84,;43.04,-25.06,;44.38,-25.83,;44.38,-27.37,;45.71,-25.06,;47.04,-25.84,;47.02,-27.38,;48.34,-28.16,;49.69,-27.4,;49.7,-25.86,;48.37,-25.07,;43.05,-28.14,;43.06,-29.69,;44.39,-30.46,;41.72,-30.46,;40.39,-29.69,;38.94,-32.82,;40.48,-32.8,;38.2,-34.16,)|
BDBM50342727 CCCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 |(5.54,-21.28,;7.08,-21.27,;7.87,-22.59,;9.41,-22.57,;10.16,-21.23,;9.38,-19.9,;10.14,-18.56,;9.36,-17.24,;11.67,-18.56,;12.43,-17.22,;11.52,-15.96,;9.98,-15.96,;12.43,-14.71,;13.9,-15.19,;15.23,-14.43,;15.23,-12.89,;16.56,-12.11,;17.9,-12.88,;19.23,-12.11,;20.56,-12.89,;20.54,-14.43,;21.86,-15.21,;23.2,-14.45,;23.22,-12.91,;21.89,-12.12,;16.57,-15.19,;16.57,-16.74,;17.91,-17.51,;15.24,-17.51,;13.9,-16.74,;12.46,-19.87,;14,-19.85,;11.71,-21.21,)|
BDBM50342728 CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 |(-10.58,-34.36,;-9.79,-35.68,;-8.25,-35.66,;-7.5,-34.32,;-8.28,-32.99,;-7.53,-31.65,;-8.3,-30.33,;-5.99,-31.65,;-5.23,-30.31,;-6.14,-29.05,;-7.68,-29.05,;-5.23,-27.8,;-3.76,-28.28,;-2.43,-27.52,;-2.43,-25.98,;-1.1,-25.2,;.23,-25.97,;1.57,-25.2,;2.89,-25.98,;2.88,-27.52,;4.2,-28.3,;5.54,-27.54,;5.56,-26,;4.23,-25.21,;-1.1,-28.28,;-1.09,-29.83,;.25,-30.6,;-2.43,-30.6,;-3.76,-29.83,;-5.2,-32.96,;-3.66,-32.94,;-5.95,-34.3,)|
BDBM50342729 Cc1nn2c(NCCNC3CCOCC3)cc(C)nc2c1-c1c(Cl)cccc1Cl |(6.47,-15.43,;8.01,-15.43,;8.93,-14.18,;10.4,-14.66,;11.73,-13.89,;11.72,-12.35,;13.05,-11.58,;14.39,-12.34,;15.72,-11.57,;17.05,-12.35,;17.03,-13.89,;18.35,-14.67,;19.7,-13.92,;19.71,-12.37,;18.38,-11.59,;13.06,-14.65,;13.07,-16.2,;14.4,-16.97,;11.73,-16.98,;10.39,-16.21,;8.92,-16.68,;8.16,-18.02,;6.63,-18.03,;5.85,-16.7,;5.87,-19.37,;6.66,-20.7,;8.2,-20.68,;8.95,-19.33,;10.49,-19.31,)|
BDBM50342730 Cc1nn2c(NCCNC3CCCC3)cc(C)nc2c1-c1c(Cl)cccc1Cl |(-9.32,-14.84,;-7.78,-14.84,;-6.87,-13.59,;-5.4,-14.07,;-4.07,-13.31,;-4.08,-11.77,;-2.74,-10.99,;-1.41,-11.76,;-.08,-10.99,;1.12,-11.96,;1.04,-13.49,;2.48,-14.04,;3.45,-12.84,;2.61,-11.55,;-2.74,-14.07,;-2.73,-15.62,;-1.4,-16.39,;-4.07,-16.39,;-5.4,-15.62,;-6.87,-16.1,;-7.63,-17.44,;-9.17,-17.44,;-9.95,-16.12,;-9.92,-18.78,;-9.14,-20.11,;-7.59,-20.09,;-6.84,-18.75,;-5.3,-18.73,)|
BDBM50342731 Cc1nn2c(NCCNC3CCCC3)cc(C)nc2c1-c1c(C)cc(C)cc1C |(25.6,-3.01,;27.14,-3.01,;28.05,-1.76,;29.52,-2.24,;30.85,-1.48,;30.85,.06,;32.18,.84,;33.51,.07,;34.85,.84,;36.1,-.05,;36.11,-1.58,;37.58,-2.05,;38.47,-.79,;37.56,.45,;32.19,-2.24,;32.19,-3.79,;33.53,-4.56,;30.85,-4.56,;29.52,-3.79,;28.05,-4.27,;27.29,-5.61,;25.75,-5.61,;24.98,-4.29,;25,-6.95,;25.78,-8.28,;25.03,-9.62,;27.33,-8.26,;28.08,-6.92,;29.62,-6.9,)|
BDBM50342732 COc1ccc(CCNCCNc2cc(C)nc3c(c(C)nn23)-c2c(C)cc(C)cc2C)cc1 |(23.86,-.34,;22.53,-1.12,;21.19,-.35,;19.86,-1.13,;18.52,-.36,;18.53,1.18,;17.19,1.94,;15.86,1.17,;14.52,1.94,;13.19,1.17,;11.86,1.93,;10.52,1.16,;10.53,-.38,;11.86,-1.14,;11.87,-2.69,;13.2,-3.46,;10.53,-3.47,;9.2,-2.7,;7.72,-3.17,;6.82,-1.92,;5.28,-1.92,;7.73,-.67,;9.2,-1.15,;6.97,-4.51,;5.43,-4.52,;4.65,-3.19,;4.68,-5.86,;5.46,-7.19,;4.7,-8.53,;7.01,-7.17,;7.76,-5.82,;9.3,-5.8,;19.85,1.95,;21.18,1.19,)|
BDBM50342733 Cc1nn2c(NCCN)cc(C)nc2c1-c1c(C)cc(C)cc1C |(-6.18,-.74,;-4.64,-.74,;-3.73,.51,;-2.26,.03,;-.93,.79,;-.93,2.33,;.4,3.11,;1.73,2.34,;3.07,3.11,;.41,.03,;.41,-1.52,;1.75,-2.29,;-.93,-2.29,;-2.26,-1.52,;-3.73,-2,;-4.49,-3.34,;-6.03,-3.34,;-6.8,-2.01,;-6.78,-4.68,;-6,-6.01,;-6.75,-7.35,;-4.45,-5.99,;-3.7,-4.65,;-2.16,-4.63,)|
BDBM50343730 Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,33.37|
BDBM50343731 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](-[#7])=O)cc1 |r|
BDBM50343732 NCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:11.11|
BDBM50343733 NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:11.11|
BDBM50343734 NCCCCNC(=O)N(CCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)C(N)=N |r|
BDBM50343735 Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:33.37,4.3|
BDBM50343736 Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:37.41,4.3|
BDBM50343737 Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCOCCOCCOCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:39.43,4.3|
BDBM50343738 Cc1ccc(C=Cc2cc3CCCN4CCCc(c2)c34)c(C)[n+]1CCOCCOCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:35.39,5.4|
BDBM50343739 Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:33.37,4.3|
BDBM50343740 CN(C)c1ccc(\C=C\C=Cc2cc(C)[n+](CCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)cc1 |r,w:26.26,10.10|
BDBM50343741 CN(C)c1ccc(\C=C\C=Cc2cc(C)[n+](CCOCCOCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)cc1 |r,w:10.10,28.28|
BDBM50343742 CN(C)c1ccc(\C=C\C=Cc2cc(C)[n+](CCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)cc1 |r,w:26.26,10.10|
BDBM50343743 CN1\C(=C/C=Cc2cc(C)[n+](CCOCCOCCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)C(C)(C)c2c1ccc1ccccc21 |r,w:5.5,30.30|
BDBM50343744 CN1\C(=C/C=Cc2cc(C)[n+](CCOCCOCCNC(=O)CCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)C(C)(C)c2c1ccc1ccccc21 |r,w:31.31,5.5|
BDBM50343745 CN1\C(=C\C=Cc2cc(C)[n+](CCOCCOCCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)C(C)(C)c2c1ccc1ccccc21 |r,w:33.33,5.5|
BDBM50343746 CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,39.41,10.10|
BDBM50343747 Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN(CCNC(=O)CCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:86.93,4.3|
BDBM50343748 Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN(CCNC(=O)CCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,90.97|
BDBM50343749 Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN(CCNC(=O)CCCNC(=O)CCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:96.103,4.3|
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|
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,)|
BDBM50380922 CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.8,(11.2,-3.59,;11.2,-5.13,;9.87,-5.9,;9.87,-7.44,;8.53,-8.21,;7.19,-7.43,;7.2,-5.9,;8.53,-5.13,;7.27,-8.97,;5.83,-9.52,;5.42,-11.01,;4.86,-8.32,;3.32,-8.23,;2.62,-6.86,;3.47,-5.56,;5.01,-5.65,;5.7,-7.03,;12.53,-5.9,;12.53,-7.44,;13.86,-5.13,;15.2,-5.9,;16.52,-5.13,;17.85,-5.89,;17.86,-7.44,;16.52,-8.21,;15.19,-7.44,;19.19,-8.21,;19.19,-9.75,;20.52,-10.51,;21.85,-9.74,;21.84,-8.2,;20.51,-7.44,)|
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
BDBM50386365 CCOc1cccc(c1)[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1 |r|
BDBM50386366 C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1ccccc1 |r|
BDBM50386367 COc1ccccc1[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1 |r|
BDBM50386368 COc1cccc(c1)[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1 |r|
BDBM50386369 C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1cccc(N)c1 |r|
BDBM50386370 C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1cccc(Cl)c1 |r|
BDBM50386371 C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1ccc(C)cc1 |r|
BDBM50386372 C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1ccc(O)cc1 |r|
BDBM50386373 COc1ccc(cc1)[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1 |r|
BDBM50386374 C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1ccc(F)cc1 |r|
BDBM50386375 CCOc1cccc(c1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)c1ccccc1 |r,wU:9.17,12.13,(15.93,-8.14,;17.42,-8.55,;18.51,-7.46,;18.12,-5.97,;16.61,-5.56,;16.22,-4.06,;17.33,-2.97,;18.82,-3.39,;19.22,-4.88,;19.93,-2.3,;21.25,-1.54,;21.25,,;19.93,.78,;19.93,2.32,;18.6,,;18.6,-1.54,;21.01,-3.39,;20.6,-4.87,;21.68,-5.96,;23.16,-5.57,;23.57,-4.09,;22.49,-3,;23.92,-6.9,;23.15,-8.22,;23.91,-9.54,;25.44,-9.55,;26.21,-8.22,;25.44,-6.9,)|
BDBM50386376 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#6]-[#6]-c1ccc(-[#8])cc1 |r|
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
BDBM50404353 CC\C=C/CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
BDBM50403726 N[C@H]1CCCC[C@@H]1NC(=O)c1c2N[C@@H]3CCCC[C@H]3Nc2c2C(=O)c3ccccc3-c3ncnc1c23
BDBM50403914 Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |wU:12.12,wD:15.16,(-.51,-.5,;-.51,-2.04,;-1.84,-2.81,;-1.84,-4.36,;-.51,-5.13,;.84,-4.36,;.84,-2.81,;2.17,-2.03,;2.16,-.49,;2.58,-3.52,;3.52,-2.79,;4.85,-2.02,;6.18,-2.79,;7.51,-2.01,;8.85,-2.78,;8.85,-4.33,;10.19,-5.1,;11.53,-4.33,;12.87,-5.1,;14.2,-4.33,;14.19,-2.79,;15.53,-2.02,;16.87,-2.79,;18.2,-2.04,;19.52,-2.81,;19.51,-4.35,;18.18,-5.11,;16.86,-4.33,;15.53,-5.11,;7.51,-5.1,;6.18,-4.33,)|
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
BDBM50414468 COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
BDBM50403482 Fc1cc(F)cc(c1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1
BDBM50417471 CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
BDBM50416459 FC(F)(F)c1ccc(Nc2nc(cs2)-c2ccccn2)cc1
BDBM50425232 [#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]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#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]-c2ccc(-[#8])cc2)-[#6](-[#7])=O)-[#6]-[#6]-1)-[#6](-[#8])=O |r|
BDBM50425231 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](CCCCNC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCC(=O)NCC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)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:136.140,118.121,107.110,88.89,42.148,187.193,206.212,24.24,20.21,2.2,wD:128.132,102.106,79.80,175.180,198.204,217.223,9.8,4.4,(25.27,-44.93,;25.59,-43.43,;27.05,-42.95,;28.19,-43.98,;27.37,-41.45,;26.23,-40.42,;28.83,-40.98,;29.97,-42.01,;29.15,-39.48,;30.61,-39,;31.75,-40.03,;33.21,-39.56,;34.35,-40.59,;33.53,-38.06,;30.93,-37.5,;32.39,-37.03,;29.79,-36.47,;28.29,-36.79,;27.52,-35.46,;28.55,-34.32,;29.95,-34.95,;31.28,-34.18,;31.28,-32.64,;32.61,-34.95,;33.94,-34.18,;33.94,-32.65,;32.61,-31.88,;32.62,-30.34,;31.29,-29.57,;31.29,-28.04,;29.96,-27.27,;29.96,-25.74,;28.63,-28.04,;27.3,-27.27,;25.97,-28.04,;24.64,-27.27,;23.31,-28.04,;21.98,-27.27,;20.66,-28.04,;19.33,-27.27,;18,-28.04,;18,-29.58,;16.67,-27.27,;16.67,-25.74,;15.34,-24.97,;15.34,-23.44,;14.01,-22.67,;14.01,-21.13,;12.68,-20.37,;11.35,-21.13,;12.68,-18.83,;14.01,-18.07,;14.01,-16.53,;12.68,-15.76,;11.35,-16.53,;12.68,-14.23,;11.35,-13.46,;11.35,-11.93,;10.02,-11.16,;10.02,-9.62,;8.69,-8.86,;8.69,-7.32,;10.02,-6.55,;11.35,-7.32,;11.35,-8.86,;12.68,-6.55,;14.01,-7.32,;15.34,-6.55,;15.34,-5.02,;16.67,-7.32,;18,-6.52,;17.98,-4.97,;19.3,-4.19,;20.64,-4.95,;20.67,-6.48,;19.35,-7.27,;21.97,-4.16,;23.32,-4.92,;21.95,-2.62,;23.28,-1.83,;24.62,-2.59,;24.64,-4.13,;25.99,-4.88,;26.02,-6.43,;27.32,-4.1,;23.26,-.29,;21.91,.48,;24.59,.51,;24.56,2.05,;23.22,2.81,;23.2,4.36,;24.43,5.27,;23.93,6.74,;22.4,6.71,;21.36,7.83,;19.86,7.49,;19.4,6.03,;20.44,4.91,;21.94,5.24,;25.89,2.84,;27.24,2.09,;25.87,4.39,;27.2,5.17,;28.54,4.42,;27.17,6.71,;25.83,7.47,;28.5,7.49,;28.48,9.04,;27.13,9.79,;27.12,11.33,;25.81,9,;29.81,9.82,;31.16,9.07,;29.79,11.37,;31.11,12.15,;31.09,13.7,;29.74,14.45,;32.42,14.48,;32.4,16.03,;31.04,16.77,;30.81,18.3,;29.43,19.01,;29.68,20.53,;31.2,20.76,;31.9,19.39,;33.73,16.82,;35.07,16.06,;33.7,18.36,;35.03,19.15,;36.38,18.39,;37.7,19.19,;39.05,18.43,;37.68,20.72,;35.01,20.69,;33.66,21.45,;36.34,21.47,;36.31,23.02,;34.97,23.77,;34.95,25.31,;33.61,26.07,;33.58,27.61,;37.64,23.81,;37.62,25.35,;38.99,23.05,;15.34,-28.04,;14,-27.27,;14.01,-25.72,;12.66,-28.04,;12.66,-29.59,;11.61,-28.47,;10.27,-29.23,;10.7,-30.7,;9.35,-29.9,;8.01,-30.66,;7.99,-32.21,;6.68,-29.88,;9.58,-31.73,;10.34,-33.05,;11.83,-32.6,;11.8,-34.15,;10.45,-34.89,;10.41,-36.43,;9.13,-34.09,;12.89,-33.75,;14.23,-33,;13.79,-31.53,;15.11,-32.3,;16.45,-31.52,;17.79,-32.28,;16.45,-29.97,;14.9,-30.48,;14.15,-29.14,;35.27,-34.95,;35.27,-36.49,;36.6,-34.18,;37.94,-34.96,;37.94,-36.49,;39.27,-37.27,;40.6,-36.49,;41.93,-37.27,;41.93,-38.8,;43.27,-39.58,;40.6,-39.58,;39.27,-38.8,;39.27,-34.18,;39.27,-32.65,;40.6,-34.96,;41.93,-34.18,;41.93,-32.65,;43.27,-31.87,;43.27,-30.34,;44.6,-29.56,;44.6,-28.03,;43.27,-27.25,;45.94,-27.25,;43.27,-34.96,;43.27,-36.49,;44.6,-34.18,;45.94,-34.96,;45.94,-36.49,;47.27,-37.27,;47.27,-38.8,;48.61,-36.49,;47.27,-34.18,;47.27,-32.65,;48.61,-34.96,;49.94,-34.18,;49.94,-32.65,;51.27,-31.87,;51.27,-30.34,;52.6,-29.56,;52.6,-28.03,;51.27,-27.25,;53.93,-27.25,;51.27,-34.96,;51.27,-36.49,;52.6,-34.18,;53.93,-34.96,;53.93,-36.49,;55.27,-37.27,;56.61,-36.49,;57.94,-37.27,;57.94,-38.8,;59.27,-39.58,;56.61,-39.58,;55.27,-38.8,;55.27,-34.18,;56.61,-34.96,;55.27,-32.65,)|
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|
BDBM50422838 CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C[C@@H]1CCN(C)C[C@@H]1F
BDBM50422839 Clc1ccc(O[C@@H]2CCC(=O)c3c2n(CCCN2CCCCC2)c2ccccc32)cc1
BDBM50422840 Clc1ccc(O[C@@H]2CC(N3CCCCC3)C(=O)c3c2n(CCCN2CCCCC2)c2ccccc32)cc1
BDBM50422841 CN1CCN(CC1)[C@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
BDBM50422842 Clc1ccc(O[C@@H]2CC(N3CCOCC3)C(=O)c3c2n(CCCN2CCCCC2)c2ccccc32)cc1
BDBM50422843 CN1CCC(Cn2c3[C@@H](CC(N4CCN(C)CC4)C(=O)c3c3ccccc23)Oc2ccc(Cl)cc2)CC1
BDBM50422844 CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C
BDBM50422845 OCCN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
BDBM50422846 FC1(F)CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
BDBM50422847 CC1CCN(CC1)[C@@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
BDBM50422848 CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C[C@H]1CCNC[C@@H]1F
BDBM50422849 CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CCCN1CCCCC1
BDBM50422850 Clc1ccc(O[C@@H]2CC(N3CCNCC3)C(=O)c3c2n(CCCN2CCCCC2)c2ccccc32)cc1
BDBM50422851 CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C[C@H]1CCN(C)C[C@@H]1F
BDBM50422852 CN1CCN(CC1=O)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
BDBM50422853 CC1(F)CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
BDBM50422854 CC1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CCCN1CCCCC1
BDBM50422855 CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F
BDBM50422856 CNC1CCC(Cn2c3[C@@H](CC(N4CCN(C)CC4)C(=O)c3c3ccccc23)Oc2ccc(Cl)cc2)CC1 |wU:9.31,(11.22,-42.16,;12.24,-43.31,;13.75,-42.99,;14.23,-41.53,;15.74,-41.22,;16.76,-42.37,;18.26,-42.05,;18.74,-40.58,;20.21,-40.11,;21.55,-40.89,;22.9,-40.11,;22.9,-38.56,;24.24,-37.79,;25.57,-38.58,;26.9,-37.82,;26.91,-36.28,;28.25,-35.52,;25.58,-35.5,;24.24,-36.26,;21.55,-37.77,;21.56,-36.23,;20.21,-38.55,;18.74,-38.07,;18.11,-36.67,;16.58,-36.5,;15.67,-37.75,;16.29,-39.16,;17.83,-39.33,;21.54,-42.43,;22.78,-43.33,;22.61,-44.86,;23.85,-45.77,;25.26,-45.15,;26.5,-46.05,;25.42,-43.61,;24.18,-42.71,;16.29,-43.83,;14.78,-44.14,)|
BDBM50422857 CN1CCN(CC1)[C@@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
BDBM50422858 CC1CCN(CC1)[C@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
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|
BDBM50442568 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|
BDBM50442569 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|
BDBM50442570 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|
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|
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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,)|
BDBM50441970 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](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:114.117,82.84,72.73,73.81,30.39,8.17,2.2,45.46,61.62,95.99,wD:103.106,74.77,20.28,4.4,53.54,93.95,94.103,(26.03,-19.12,;26.03,-17.58,;27.36,-16.82,;28.7,-17.58,;27.36,-15.28,;26.03,-14.51,;24.7,-15.28,;24.7,-16.82,;23.37,-14.51,;23.37,-12.97,;24.7,-12.2,;26.04,-12.96,;27.37,-12.2,;27.37,-10.66,;28.7,-9.89,;26.04,-9.88,;24.7,-10.66,;22.03,-15.28,;20.7,-14.51,;20.7,-12.97,;19.37,-15.28,;19.37,-16.82,;20.7,-17.58,;22.12,-16.96,;23.15,-18.1,;22.38,-19.44,;20.86,-19.12,;18.03,-14.51,;16.71,-15.28,;16.71,-16.82,;15.37,-14.51,;15.37,-12.97,;16.71,-12.2,;16.71,-10.66,;18.03,-9.89,;18.03,-8.35,;16.71,-7.58,;19.37,-7.58,;14.04,-15.28,;12.71,-14.51,;11.37,-15.28,;12.71,-12.97,;28.7,-14.51,;28.7,-12.97,;30.03,-15.28,;31.36,-14.51,;31.36,-12.97,;32.7,-12.2,;34.02,-12.97,;32.7,-10.66,;32.7,-15.28,;32.7,-16.82,;34.02,-14.51,;35.36,-15.28,;35.36,-16.82,;36.69,-17.58,;36.69,-19.12,;38.03,-16.82,;36.69,-14.51,;36.69,-12.97,;38.03,-15.28,;39.36,-14.51,;39.36,-12.97,;40.69,-12.2,;40.69,-10.66,;42.02,-9.89,;42.02,-8.35,;40.69,-7.58,;43.35,-7.58,;40.69,-15.28,;40.69,-16.82,;42.02,-14.51,;43.35,-15.28,;44.12,-16.61,;44.89,-15.28,;46.23,-14.51,;46.23,-12.97,;47.55,-15.28,;48.88,-14.51,;44.12,-18.15,;45.45,-18.92,;42.79,-18.92,;42.79,-20.45,;44.12,-21.22,;45.45,-20.45,;46.79,-21.22,;48.11,-20.45,;49.45,-21.22,;49.45,-22.76,;50.78,-20.45,;41.45,-21.22,;40.12,-20.45,;41.45,-22.76,;40.12,-23.53,;39.36,-24.86,;38.58,-23.53,;37.26,-22.76,;37.26,-21.22,;35.92,-23.53,;34.59,-22.77,;39.36,-26.4,;38.03,-27.17,;40.69,-27.17,;40.69,-28.71,;39.36,-29.48,;39.36,-31.01,;38.03,-31.78,;38.03,-33.32,;36.69,-34.09,;35.36,-33.32,;36.69,-35.63,;42.02,-29.48,;43.35,-28.71,;42.02,-31.01,;43.35,-31.78,;44.69,-31.01,;46.02,-31.78,;46.01,-33.33,;47.35,-34.1,;48.7,-33.32,;50.03,-34.09,;48.69,-31.77,;47.35,-31.01,;43.35,-33.32,;42.02,-34.09,;44.69,-34.09,)|
BDBM50441971 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]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:89.92,108.110,30.39,8.17,2.2,45.46,61.62,76.77,wD:87.88,88.96,97.99,20.28,4.4,53.54,62.64,69.70,70.73,(22.23,-25.52,;22.23,-23.98,;23.57,-23.21,;24.91,-23.98,;23.57,-21.67,;22.23,-20.9,;20.91,-21.67,;20.91,-23.21,;19.57,-20.9,;19.57,-19.36,;18.24,-18.59,;18.24,-17.05,;16.89,-16.28,;15.55,-17.04,;14.22,-16.27,;15.55,-18.59,;16.89,-19.37,;18.24,-21.67,;18.24,-23.21,;19.57,-23.98,;16.9,-23.98,;16.9,-25.52,;18.24,-26.29,;18.4,-27.82,;19.91,-28.14,;20.68,-26.8,;19.64,-25.66,;15.57,-23.21,;14.24,-23.98,;14.24,-25.52,;12.91,-23.21,;12.91,-21.67,;11.57,-20.9,;11.57,-19.36,;10.24,-18.59,;10.24,-17.05,;8.92,-16.28,;11.57,-16.28,;11.57,-23.98,;10.24,-23.21,;8.92,-23.98,;10.24,-21.67,;24.91,-20.9,;24.91,-19.36,;26.23,-21.67,;27.57,-20.9,;27.57,-19.36,;28.9,-18.59,;30.23,-19.36,;28.9,-17.05,;28.9,-21.67,;28.9,-23.21,;30.23,-20.9,;31.57,-21.67,;31.57,-23.21,;32.9,-23.98,;34.23,-23.21,;32.9,-25.52,;32.9,-20.9,;32.9,-19.36,;34.23,-21.67,;35.57,-20.9,;35.57,-19.36,;36.89,-18.59,;34.23,-18.59,;34.23,-17.05,;36.89,-21.67,;36.89,-23.21,;38.23,-20.9,;39.57,-21.67,;39.57,-23.21,;38.23,-23.98,;40.9,-23.98,;40.9,-20.9,;40.9,-19.36,;42.23,-21.67,;43.56,-20.9,;43.56,-19.36,;44.89,-18.59,;44.89,-17.05,;46.23,-16.28,;46.23,-14.74,;44.89,-13.97,;47.56,-13.97,;44.89,-21.67,;44.89,-23.21,;46.23,-20.9,;47.56,-21.67,;49.1,-21.67,;48.33,-23,;48.33,-24.54,;47,-25.31,;49.67,-25.31,;49.67,-26.85,;50.43,-20.9,;50.43,-19.36,;51.76,-21.67,;53.1,-20.9,;54.43,-21.67,;55.77,-20.9,;57.09,-21.67,;58.43,-20.9,;59.76,-21.67,;59.76,-23.2,;61.09,-20.9,;53.1,-19.36,;51.76,-18.59,;54.43,-18.59,;54.43,-17.05,;53.1,-16.28,;53.1,-14.74,;54.43,-13.97,;54.44,-12.43,;53.09,-11.65,;53.09,-10.11,;51.76,-12.43,;51.75,-13.97,;55.77,-16.28,;57.09,-17.05,;55.77,-14.74,)|
BDBM50442578 [#7]-[#6]-[#6]-[#7]-[#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|
BDBM50442579 NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:13.13|
BDBM50442580 NCCOCCOCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.15|
BDBM50442582 NCCCCNC(=O)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50442583 NCCOCCOCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:15.15|
BDBM50442584 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
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|
BDBM50442544 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r,w:18.18|
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|
BDBM50442546 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|
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|
BDBM50442548 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|
BDBM50442549 [#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|
BDBM50442550 NCCCOCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r|
BDBM50442551 NC(NC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:48.51,16.16|
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|
BDBM50442555 [#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|
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|
BDBM50442558 NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:15.15|
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|
BDBM50442560 [#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|
BDBM50442561 NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:13.13|
BDBM50436463 CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cccnn1 |(21.7,-21.74,;20.21,-21.34,;19.12,-22.44,;17.64,-22.05,;17.23,-20.55,;15.72,-20.16,;14.64,-21.26,;15.05,-22.75,;16.55,-23.15,;13.96,-23.85,;12.46,-24.16,;10.92,-24.17,;10.45,-22.71,;8.98,-22.23,;11.69,-21.8,;12.94,-22.71,;14.36,-25.33,;13.27,-26.41,;13.66,-27.89,;15.14,-28.3,;16.23,-27.21,;15.84,-25.72,;15.53,-29.78,;17.02,-30.18,;17.42,-31.67,;16.32,-32.76,;14.84,-32.35,;14.44,-30.87,)|
BDBM50436464 CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ncncn1 |(27.99,-16.3,;26.5,-15.91,;25.41,-17.01,;23.93,-16.61,;23.52,-15.12,;22.01,-14.73,;20.93,-15.83,;21.34,-17.32,;22.84,-17.71,;20.25,-18.42,;18.75,-18.73,;17.21,-18.74,;16.74,-17.28,;15.27,-16.8,;17.98,-16.37,;19.23,-17.28,;20.65,-19.9,;19.56,-20.98,;19.95,-22.46,;21.43,-22.86,;22.52,-21.78,;22.13,-20.29,;21.82,-24.35,;20.73,-25.43,;21.12,-26.92,;22.6,-27.33,;23.7,-26.23,;23.3,-24.75,)|
BDBM50436465 CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ccccc1N |(71.32,-17.42,;69.83,-17.03,;68.74,-18.13,;67.25,-17.74,;66.85,-16.24,;65.34,-15.85,;64.26,-16.95,;64.67,-18.44,;66.17,-18.84,;63.58,-19.54,;62.08,-19.85,;60.54,-19.86,;60.07,-18.4,;58.6,-17.92,;61.31,-17.49,;62.56,-18.4,;63.98,-21.02,;62.89,-22.1,;63.28,-23.58,;64.76,-23.99,;65.85,-22.9,;65.46,-21.41,;65.15,-25.47,;64.06,-26.55,;64.45,-28.04,;65.93,-28.45,;67.03,-27.35,;66.63,-25.87,;67.72,-24.78,)|
BDBM50436466 CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ncccn1 |(48.35,-14.55,;46.86,-14.16,;45.77,-15.26,;44.29,-14.87,;43.88,-13.37,;42.37,-12.98,;41.29,-14.08,;41.7,-15.57,;43.2,-15.97,;40.61,-16.67,;39.11,-16.98,;37.57,-16.99,;37.1,-15.53,;35.63,-15.05,;38.34,-14.62,;39.59,-15.53,;41.01,-18.15,;39.92,-19.23,;40.31,-20.71,;41.79,-21.11,;42.88,-20.03,;42.49,-18.54,;42.18,-22.6,;41.09,-23.68,;41.48,-25.17,;42.96,-25.58,;44.06,-24.48,;43.66,-23,)|
BDBM50436468 CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cnccn1 |(16.59,-16.93,;15.1,-16.54,;14.02,-17.64,;12.53,-17.24,;12.12,-15.75,;10.62,-15.36,;9.53,-16.46,;9.94,-17.95,;11.44,-18.34,;8.86,-19.05,;7.36,-19.36,;5.81,-19.37,;5.34,-17.9,;3.88,-17.43,;6.58,-17,;7.83,-17.9,;9.25,-20.53,;8.16,-21.61,;8.55,-23.09,;10.03,-23.49,;11.12,-22.41,;10.73,-20.92,;10.43,-24.98,;9.33,-26.06,;9.72,-27.55,;11.21,-27.95,;12.31,-26.86,;11.91,-25.38,)|
BDBM50436469 CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ccc(Cl)nn1 |(20.43,-20.88,;18.94,-20.49,;17.86,-21.59,;16.37,-21.19,;15.96,-19.7,;14.45,-19.31,;13.37,-20.41,;13.78,-21.9,;15.28,-22.29,;12.69,-23,;11.19,-23.31,;9.65,-23.32,;9.18,-21.85,;7.71,-21.38,;10.42,-20.95,;11.67,-21.85,;13.09,-24.48,;12,-25.56,;12.39,-27.04,;13.87,-27.45,;14.96,-26.36,;14.57,-24.87,;14.26,-28.93,;15.75,-29.34,;16.14,-30.83,;15.05,-31.91,;15.44,-33.4,;13.56,-31.51,;13.17,-30.02,)|
BDBM50436470 CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCNCC1 |(49.56,-3.76,;48.07,-3.37,;46.98,-4.47,;45.49,-4.08,;45.09,-2.58,;43.58,-2.19,;42.5,-3.29,;42.91,-4.78,;44.41,-5.18,;41.82,-5.88,;40.32,-6.19,;38.78,-6.2,;38.31,-4.74,;36.84,-4.26,;39.55,-3.83,;40.8,-4.74,;42.22,-7.36,;41.13,-8.44,;41.52,-9.92,;43,-10.33,;44.09,-9.24,;43.7,-7.75,)|
BDBM50436472 CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cccc(OC)n1 |(46.32,-30.8,;44.83,-30.41,;43.75,-31.5,;42.26,-31.11,;41.85,-29.62,;40.34,-29.23,;39.26,-30.33,;39.67,-31.81,;41.17,-32.21,;38.58,-32.91,;37.09,-33.23,;35.54,-33.24,;35.07,-31.77,;33.61,-31.3,;36.31,-30.86,;37.56,-31.77,;38.98,-34.39,;37.89,-35.48,;38.28,-36.95,;39.76,-37.36,;40.85,-36.28,;40.46,-34.79,;40.16,-38.84,;39.06,-39.93,;39.45,-41.42,;40.94,-41.82,;42.03,-40.73,;43.52,-41.13,;43.92,-42.62,;41.64,-39.24,)|
BDBM50436474 CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cncnc1 |(74.92,-16.64,;73.43,-16.25,;72.34,-17.35,;70.85,-16.96,;70.44,-15.46,;68.94,-15.07,;67.86,-16.17,;68.27,-17.66,;69.76,-18.06,;67.18,-18.76,;65.68,-19.07,;64.14,-19.08,;63.67,-17.62,;62.2,-17.14,;64.91,-16.71,;66.16,-17.62,;67.57,-20.24,;66.49,-21.32,;66.88,-22.8,;68.36,-23.21,;69.45,-22.12,;69.05,-20.63,;68.75,-24.69,;67.65,-25.77,;68.04,-27.26,;69.53,-27.67,;70.63,-26.57,;70.23,-25.09,)|
BDBM50436475 CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cccnc1 |(21.2,-22.5,;19.71,-22.11,;18.62,-23.21,;17.13,-22.82,;16.73,-21.32,;15.22,-20.93,;14.14,-22.03,;14.55,-23.52,;16.05,-23.92,;13.46,-24.62,;11.96,-24.93,;10.42,-24.94,;9.95,-23.48,;8.48,-23,;11.19,-22.57,;12.44,-23.48,;13.86,-26.1,;12.77,-27.18,;13.16,-28.66,;14.64,-29.07,;15.73,-27.98,;15.34,-26.49,;15.03,-30.55,;13.94,-31.64,;14.33,-33.13,;15.81,-33.53,;16.91,-32.45,;16.52,-30.96,)|
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
BDBM50185365 CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC[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:99.104,3.3,18.18,73.77,66.69,41.43,wD:110.115,7.7,84.88,55.59,32.35,36.39,(.45,-20.37,;.5,-18.83,;-.81,-18.01,;-.76,-16.47,;.6,-15.75,;1.91,-16.56,;1.86,-18.1,;3.26,-15.83,;3.31,-14.29,;2.01,-13.48,;2.06,-11.94,;.74,-11.13,;.79,-9.59,;2.16,-8.86,;-.51,-8.78,;4.57,-16.65,;5.93,-15.92,;5.98,-14.38,;7.24,-16.73,;7.19,-18.27,;5.83,-19,;4.44,-18.35,;3.38,-19.47,;4.11,-20.83,;3.6,-22.29,;4.61,-23.46,;6.13,-23.19,;6.64,-21.73,;5.64,-20.55,;8.6,-16,;8.56,-14.47,;7.22,-13.75,;9.86,-13.67,;11.2,-14.39,;9.82,-12.14,;11.11,-11.35,;11.07,-9.82,;9.73,-9.1,;12.37,-9.03,;12.33,-7.5,;13.71,-9.75,;15.05,-8.98,;15.05,-7.44,;16.38,-6.67,;17.79,-7.28,;18.82,-6.12,;18.04,-4.78,;18.5,-3.31,;17.46,-2.17,;15.95,-2.49,;15.48,-3.97,;16.52,-5.12,;16.38,-9.75,;16.38,-11.29,;17.72,-8.98,;19.05,-9.75,;19.05,-11.29,;20.38,-12.06,;20.38,-13.6,;21.72,-14.37,;21.72,-15.91,;20.38,-16.68,;23.05,-16.68,;20.38,-8.98,;20.38,-7.44,;21.72,-9.75,;23.05,-8.98,;23.05,-7.44,;21.72,-6.67,;21.72,-5.13,;24.39,-9.75,;24.39,-11.29,;25.72,-8.98,;25.72,-7.44,;24.39,-6.67,;24.39,-5.13,;23.05,-4.36,;23.05,-2.82,;21.72,-2.05,;20.38,-2.82,;21.72,-.51,;27.05,-6.67,;28.39,-7.44,;27.05,-5.13,;28.39,-4.36,;29.72,-5.13,;31.05,-4.36,;31.05,-2.96,;32.27,-2.26,;33.47,-2.96,;34.81,-2.19,;33.47,-4.36,;32.26,-5.06,;28.39,-2.82,;29.72,-2.05,;27.05,-2.05,;-2.07,-15.66,;-2.02,-14.12,;-3.43,-16.39,;-3.48,-17.93,;-2.17,-18.74,;-2.22,-20.28,;-.91,-21.09,;-.96,-22.63,;.35,-23.44,;1.71,-22.72,;.3,-24.98,;-4.83,-18.66,;-6.14,-17.84,;-4.88,-20.19,;-6.24,-20.92,;-7.55,-20.11,;-8.91,-20.84,;-8.95,-22.24,;-10.19,-22.9,;-11.37,-22.16,;-12.74,-22.89,;-11.34,-20.76,;-10.1,-20.1,;-6.29,-22.46,;-7.65,-23.19,;-4.98,-23.27,)|
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|
BDBM50218976 CO\C(O)=C1\C(C(C(=O)OC)=C(C)N=C1C)c1cccc(N\C(NC#N)=N\CCCN2CCC(CC2)C(C)(C)C)c1 |c:13,t:10|
BDBM50231579 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](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]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|
BDBM50231576 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](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]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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