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1837 SMILES Strings for Beta-2 adrenergic receptor and beta-3 adrenergic receptor

Compound NameSMILES String
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
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|
BDBM21342 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
BDBM22867 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM25746 Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
BDBM25747 CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12
BDBM25748 OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
BDBM25749 CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
BDBM25750 O[C@H](CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1
BDBM25751 CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
BDBM25752 CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
BDBM25753 CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
BDBM25392 CC(C)NCC(O)c1ccc(O)c(O)c1
BDBM25754 O[C@H](CNCCOc1ccc(OCC(O)=O)cc1)COc1ccccc1 |r|
BDBM25755 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
BDBM25394 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
BDBM25395 Nc1cc(ccc1O)C(O)CNCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM25396 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
BDBM25397 Nc1cc(ccc1O)C(O)CNCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM25398 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
BDBM25399 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCOCCOCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
BDBM25756 COCCc1ccc(OCC(O)CNC(C)C)cc1
BDBM25758 CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
BDBM25759 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
BDBM25760 CC(C)NCC(O)c1ccc2ccccc2c1
BDBM25761 CC(C)NCC(O)COc1cccc2ccccc12
BDBM25762 CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
BDBM25763 C[C@H](Cc1ccc2OC(Oc2c1)(C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1 |r|
BDBM25764 CC(C)NCC(O)COc1ccccc1CC=C
BDBM25765 Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
BDBM25766 CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
BDBM25767 CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1
BDBM25768 CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
BDBM25769 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
BDBM25770 CC(C)(C)NCC(O)c1cc(O)cc(O)c1
BDBM25771 OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
BDBM26948 Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
BDBM27955 CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O |r|
BDBM27956 CC(C)NC1CCn2c3c(cccc3[nH]c2=O)C1O
BDBM27957 CC(C)N[C@H]1CCn2c3c(cccc3[nH]c2=O)[C@@H]1O |r|
BDBM27958 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
BDBM27959 CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1
BDBM27960 CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12
BDBM31774 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
BDBM31046 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
BDBM34612 Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
BDBM36014 C[NH2+][C@@H](C)[C@H](O)c1ccccc1
BDBM36024 C[NH2+]C[C@H](O)c1cccc(O)c1
BDBM35234 NCC(O)c1ccc(O)c(O)c1
BDBM35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
BDBM36957 Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1
BDBM37103 CCCc1ccc(OCc2nc(no2)-c2ccc(NC(=O)c3ccco3)cc2)cc1
BDBM41093 Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
BDBM40982 Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3ncccc3o2)c(C)c1
BDBM40987 CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
BDBM40716 COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1
BDBM40723 O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccc2OCOc2c1
BDBM43036 CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2CC(C)(C)OCc12
BDBM45166 COc1ccc(cc1)C1CC(=NN1C(=O)c1cccs1)c1ccc(OC)cc1 |c:11|
BDBM44818 CNC[C@H](O)c1ccc(O)c(O)c1
BDBM44373 CC(Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)N1CCCC1
BDBM44477 CSc1nc(SCCO)c2sc3nc(-c4ccco4)c4COC(C)(C)Cc4c3c2n1
BDBM53557 Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3ncccc3o2)cc1
BDBM55514 CC(=O)Nc1cc(ccc1C)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
BDBM54912 CCOC(=O)C1(C)CC(=Nc2ccc(O)cc2)C(=O)N1c1ccc(O)cc1 |w:9.9|
BDBM55475 COc1ccc(Cn2c(SCc3cc(C)ccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1
BDBM55121 NCCc1ccc(O)c(O)c1
BDBM54207 Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)c(C)c1
BDBM54208 Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)cc1
BDBM54209 O=S(=O)(Nc1cccc(c1)-c1cn2cccnc2n1)c1ccc(cc1)-c1ccccc1
BDBM54157 Cn1c(nc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12)N1CCN(CC1)c1ccccn1
BDBM57148 CC(Oc1ccc(Cl)cc1Cl)c1nc(no1)-c1ccc(NC(=O)c2ccco2)cc1
BDBM61029 COc1ccc(cc1)C1C(C#N)C(=N)Oc2c1sc1nc(C)cc(C)c21
BDBM60353 CC(=O)c1cccc(c1)S(=O)(=O)N1CCCC(C1)c1nc(no1)-c1ccc(C)o1
BDBM61603 Cc1ccccc1N1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12
BDBM61609 Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1
BDBM66316 CC(Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)N1CCCCC1
BDBM67856 CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3COC(C)(C)Cc3c21
BDBM67545 CN(C)CCCN1c2ccccc2Sc2ccccc12
BDBM68368 CCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
BDBM67173 CC(C)Cc1nc2oc3c(Cl)ncnc3c2c2CCCc12
BDBM71899 Clc1ccc2Sc3ccccc3N(C(=O)CSc3nnc(-c4ccncc4)n3Cc3ccco3)c2c1
BDBM70287 CC(C)c1nnc(NC(=O)CCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2cccs2)s1
BDBM73035 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(cc1)-c1nc2ncccc2o1
BDBM74841 O=C(Nc1cccc(c1)-c1nc2ccccc2s1)c1cccs1
BDBM74832 N=C1OC2=C(CCc3ccccc23)C(C1C#N)c1ccccc1 |t:3|
BDBM75784 Clc1cccc(c1)-c1nnc(SCc2nc3ccccc3[nH]2)n1Cc1ccco1
BDBM78636 CCOc1cc(CNCCc2ccc(cc2)S(N)(=O)=O)ccc1OCc1ccc(Cl)cc1
BDBM78700 OC(COc1ccccc1CC=C)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM78576 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
BDBM77324 CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
BDBM80390 CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(N)cc1
BDBM82688 Cc1ccc(SCC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccco2)cc1
BDBM82479 CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
BDBM82482 COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
BDBM82483 COc1cc(C[C@H]2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
BDBM82484 COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(I)c1OC
BDBM82487 COc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
BDBM82488 COc1cc(CC2NCCc3c(I)c(O)c(O)cc23)cc(OC)c1OC
BDBM82491 COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(c1OC)[N+]([O-])=O
BDBM82493 COc1cc(CC2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
BDBM82497 COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
BDBM82498 COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c23)cc(OC)c1OC
BDBM82499 COc1cc(CC2N(Cc3cccc(N)c3)CCc3cc(O)c(O)cc23)cc(OC)c1OC
BDBM82500 COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(N)c1OC
BDBM82502 COc1cc(CC2NCCc3cc(O)c(O)c(I)c23)cc(OC)c1OC
BDBM82503 COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
BDBM82505 CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
BDBM81451 CNC(C)C(O)c1ccc(NS(C)(=O)=O)cc1
BDBM81452 CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM81483 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
BDBM81447 CCCc1ccccc1OCC(O)CNC(C)C
BDBM81448 CN(C)CCCn1c2CCCCCCc2c2ccccc12
BDBM81449 CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(O)c1
BDBM81450 CC(C)(Cc1ccc(O)cc1)NCC(O)COc1cccc2[nH]ccc12
BDBM86550 COC(=O)c1occc1C[NH+]1CCC(CC1)c1c[nH]c2ccccc12 |(-5.38,2.59,;-5.14,1.07,;-3.7,.52,;-3.46,-1,;-2.5,1.49,;-2.58,3.02,;-1.15,3.58,;-.18,2.38,;-1.02,1.09,;-.46,-.35,;1.06,-.59,;1.83,-1.93,;3.37,-1.93,;4.14,-.59,;3.37,.74,;1.83,.74,;5.68,-.59,;6.65,.61,;8.08,.05,;8,-1.48,;9.09,-2.57,;8.69,-4.06,;7.21,-4.46,;6.12,-3.37,;6.52,-1.88,)|
BDBM86551 CC(CO)(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl
BDBM86552 O[C@@H](C[NH+]1CCN(CC1)c1nsc2ccccc12)c1cccs1 |r|
BDBM86553 OCCN1CC[NH+](CCOc2ccccc2-c2ccccc2)CC1
BDBM86554 Fc1ccc(cc1)-c1ccc(C[NH2+]Cc2cccnc2-n2cccn2)o1
BDBM86555 Cc1cccc(c1)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 |r|
BDBM86556 C([NH2+]Cc1cccc2cccnc12)[C@@H]1COc2ccccc2O1 |r|
BDBM86449 CC(C)(C)NCC(O)c1cc(Br)no1
BDBM86450 CC(Cc1ccc(OCC(O)=O)cc1)NCC(O)c1cccc(Cl)c1
BDBM86451 CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc12 |r|
BDBM86453 COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
BDBM86052 CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
BDBM86053 Nc1nc2CCN(CC=C)CCc2s1
BDBM84637 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
BDBM84994 CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
BDBM85709 NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
BDBM85818 CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
BDBM85092 C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
BDBM85786 CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1
BDBM84269 COc1ccccc1OCCCC(=O)Nc1nccs1
BDBM84193 Cc1ccc(O)c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1
BDBM84194 CN(C)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
BDBM84195 CCC(=O)Nc1ccc(cc1C)-c1nn2c(C)nnc2s1
BDBM84196 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1c1cccnc1
BDBM84197 C(Sc1nnnn1-c1cccc2ccccc12)c1ccccn1
BDBM84198 C(CN1CCOCC1)Nc1ncnc2c1sc1nc(N3CCOCC3)c3CCCc3c21
BDBM84199 CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)N1CCN(CCO)CC1)N1CCCC1
BDBM84200 Cc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1
BDBM84201 CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(cc1)C#N
BDBM84202 CC1=NC(C)=C(C#N)C(C1C#N)c1cn(nc1-c1cccs1)-c1ccccc1 |t:1,4|
BDBM84203 CCOC(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2)cc1
BDBM84204 CCOC(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccc(C)cc2)cc1
BDBM84205 CCCCC(=O)Nc1ccc(cc1)C(=O)N1CCCC(C1)C(=O)OCC
BDBM84206 CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(C)cc1
BDBM84207 CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(Br)cc1
BDBM84208 CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccccc1
BDBM84209 COc1cc(OC)nc(NC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)n1
BDBM84210 COc1ccc(OC)c(CCNC(=O)C2CCN(CC2)c2nnc(s2)-n2cccc2)c1
BDBM84211 COc1ccc(cc1)-c1cc(nc(n1)S(=O)(=O)CCC(=O)N1CCOCC1)C(F)(F)F
BDBM84212 O=C(CN1C(=O)CCC1=O)Nc1nc(cs1)-c1nc2ccccc2s1
BDBM84213 [#6]\[#6](-[#6])=[#6]\[#6]C([#6])([#6])[#6]-1-[#8]-[#6]-[#6]-[#7]-1-[#6](=O)-c1ccccc1
BDBM84214 COc1ccc(cc1)[C@H](C)NC[C@H](O)c1ccc(O)c(NC=O)c1
BDBM84215 CCOC(=O)c1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCCC2)cc1
BDBM84216 Cc1ccc(Cn2ccc(NC(=O)c3cc4nc(cc(n4n3)C(F)(F)F)-c3ccco3)n2)cc1
BDBM84217 CC(Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)N1CCOCC1
BDBM84218 CC(=O)N1c2ccccc2C(C)(CC1(C)C)c1ccccc1
BDBM84219 Clc1ccc(cc1)C(=O)CSc1nnc(CCNC(=O)c2cccs2)n1CC=C
BDBM84220 [O-][N+](=O)c1cccc(c1)C(=O)CSc1nnc(CCNC(=O)c2cccs2)n1CC=C
BDBM84221 CC(=O)Nc1ccc(cc1)-c1nnc(SCc2ccc(C)cc2)n1C
BDBM84222 CCOc1cc(C=Nn2cnnc2)ccc1OCCOc1ccc(CC=C)cc1OC
BDBM84223 CCN(c1ccc2OCOc2c1)S(=O)(=O)c1cc(Br)cc2CCN(C(C)=O)c12
BDBM84224 CC(Oc1ccc(Cl)cc1Cl)c1nc(no1)-c1ccc(NC(=O)c2ccccn2)cc1
BDBM84225 CCCCN(CCCC)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
BDBM84226 COC(=O)c1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCCCC2)cc1
BDBM84227 CCCCN(CCCC)c1nc(OC)nc(n1)-n1nnc(C(C)=O)c1C
BDBM84228 Fc1ccc(CNC(=O)CCCCCn2c(=O)[nH]c3ccsc3c2=O)cc1
BDBM84229 CC(C)(C)c1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cccnc3o2)cc1
BDBM84230 Brc1ccc(cc1)C(=O)CSc1nnc(CCNC(=O)c2cccs2)n1CC=C
BDBM84231 [H][C@]12CN(C[C@@]([H])(C1)c1cccc(=O)n1C2)C(=O)c1ccc(cc1)-c1nnc(Nc2cccc(C)c2)c2ccccc12 |TLB:9:8:7:3.2.4|
BDBM84232 CC1(C)Cc2c(CO1)c(nc1sc3c(NCCN)ncnc3c21)N1CCOCC1
BDBM84233 O=C(CCc1ccc(cc1)S(=O)(=O)N1CCOCC1)Nc1nc(COc2ccccc2)cs1
BDBM84234 COc1ccc(CC(=O)Nc2ccc(cc2)-c2cn3ccccc3n2)cc1
BDBM84235 Cc1ccc(NC(=O)C(N2CCCCC2)c2ccc(Cl)cc2)cc1
BDBM84236 O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc2OCOc2c1
BDBM84237 Cc1ccc(Sc2cc(nc(n2)-c2ccccc2)N2CCOCC2)cc1
BDBM84238 Clc1ccc(SCC(=O)Nc2ccc(cc2)-c2nc3ncccc3o2)cc1
BDBM84239 CN(CCOc1ccc(cc1)-c1ccn(n1)S(=O)(=O)c1cccc2ccccc12)c1ccccn1
BDBM84240 Clc1ccccc1Oc1nnc(cc1C#N)-c1ccccc1
BDBM84241 Cc1ccc(cc1NC(=O)c1sc2ccccc2c1Cl)-c1nc2ncccc2o1
BDBM84242 O=C(Nc1ccccc1)c1ccccc1CCc1ccccc1
BDBM84243 O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c1ccc(NC(=O)c2ccccc2)cc1
BDBM84244 CCSc1nc2ccccc2n1C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
BDBM84245 CC1CCCN(C1)c1ccc(cc1C(=O)c1ccccc1)[N+]([O-])=O
BDBM84246 Clc1ccc(Oc2nc(cc(n2)-c2ccccc2)C#N)cc1
BDBM84247 Cc1ccc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1
BDBM84248 Cc1ccccc1Cn1c2ccccc2n(CC(=O)c2ccc(cc2)[N+]([O-])=O)c1=N
BDBM84250 CCOC(=O)c1ccc(cc1)N1C(c2c(n[nH]c2C1=O)-c1ccco1)c1cccc(c1)[N+]([O-])=O
BDBM84251 CCCc1ccc(OCc2nc(no2)-c2ccc(NC(=O)c3cccs3)cc2)cc1
BDBM84252 CC1(C)Cc2c(CO1)c(nc1sc3c(NCC4CCCO4)ncnc3c21)-c1ccco1
BDBM84253 Fc1ccccc1OCC(=O)N1c2ccccc2CCc2ccccc12
BDBM84254 Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c(c2)[N+]([O-])=O)cc1S(=O)(=O)N1CCOCC1
BDBM84255 [H]C12CCC([H])(C1)C(C2)C(C)NC(=O)c1ccc(OC)c(c1)S(=O)(=O)N(CC)Cc1ccccc1 |TLB:9:7:6:3.2|
BDBM84256 COc1ccccc1CNCC(O)Cn1c2ccccc2c2ccccc12
BDBM84257 CCOC(=O)c1ccc(NC(=O)Cc2coc3cc4CCCc4cc23)cc1
BDBM84258 Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCCCCC1)C(=O)N1CCc2ccccc2C1
BDBM84259 [O-][N+](=O)c1cc(ccc1Cl)C(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc(c1)C#N
BDBM84260 CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1Cl
BDBM84261 Cc1ccc(cc1NC(=O)c1ccco1)C(=O)OCC(=O)Nc1nc(cs1)-c1ccccc1
BDBM84262 CSc1ccc(cc1)C(=O)C1CCCN(Cc2cccn2-c2cccnc2)C1
BDBM84263 Oc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1
BDBM84264 CC1(C)Cc2c(CO1)c(nc1sc3c(NCCO)ncnc3c21)-c1ccco1
BDBM84265 CCCCC(=O)Nc1ccc(cc1)C(=O)N(CC)c1ccccc1C
BDBM84266 O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1cc2c(nc3ccccn3c2=O)s1
BDBM84267 CCCCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1
BDBM84268 Oc1ccc(CC2(CCCCC2)NC(=O)Cc2ccccc2)cc1
BDBM84342 CNCC(O)c1ccc(O)c(O)c1
BDBM84271 Cc1ccc(NC(=O)C(N2CCOCC2)c2ccc(Cl)cc2)cc1
BDBM84272 Fc1cccc(F)c1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1c1cccnc1
BDBM84309 CN(Cc1cnn(c1)-c1ccccc1C)C(=O)c1cc(COc2ccc(C)nc2)on1
BDBM84314 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)-n1cnnn1
BDBM84315 CCc1ccc(CN2CCC(CC2)Oc2ccc(cc2)C(=O)N2CCCCC2)cc1
BDBM84320 CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
BDBM84321 CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
BDBM84328 CSc1ccc(CN2CCC(CC2)Oc2ccc(cc2)C(=O)N2CCCC2)cc1
BDBM84331 Fc1ccc(CN2CCC(CC2)Oc2ccc(cc2)C(=O)N2CCCC2)cc1
BDBM84333 COc1ccc(CN2CCC(CC2)Oc2ccc(cc2)C(=O)N2CCCC2)c(F)c1
BDBM84336 Cc1ncc(CN2CCCC(C2)C(=O)Nc2ccc(cc2)-c2cccc(F)c2)s1
BDBM84338 CCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1c1cccnc1
BDBM86698 CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
BDBM91488 COCc1ccc(CN2CCCC(C2)C(=O)Nc2ccc(cc2)-c2cccc(OC)c2)o1
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM6384 CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM6449 C[C@H](Cc1cccc(CCNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM6354 CN(CCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM6427 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r|
BDBM38242 CN(CCCC(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM103744 COc1ccc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103754 CC(Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103755 C[C@H](Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103745 CC(Cc1cccc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103746 CC(Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103747 C[C@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103738 CN(CCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM103748 CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM103739 COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCN(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM103740 COc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103749 COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCCN(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM103750 COc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103751 COc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103741 CN(CCCC(=O)Nc1cc(C)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM103742 COc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103752 CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM103753 CN(CCCCC(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM103775 CC(Cc1cccc(CNC(=O)c2ccc(C)c(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103793 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r|
BDBM103794 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(CC(=O)NCc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r|
BDBM103801 CC(Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103756 C[C@@H](Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103757 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cc(ccc1C)C(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r|
BDBM103758 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C |r|
BDBM103776 CC(Cc1ccc(CNC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103795 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(CC(=O)NCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 |r|
BDBM103796 CC(Cc1ccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103766 CC(Cc1cccc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103767 CC(Cc1cccc(NC(=O)c2ccc(C)c(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103798 C[C@H](Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103799 C[C@@H](Cc1cccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103759 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cc(ccc1C)C(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C |r|
BDBM103777 CC(Cc1ccc(CNC(=O)c2ccc(C)c(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103778 C[C@H](Cc1ccc(CNC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103760 COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)c1cccc(c1)N(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM103768 C[C@H](Cc1cccc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103779 C[C@@H](Cc1ccc(CNC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103780 C[C@H](Cc1cccc(CNC(=O)c2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103781 C[C@@H](Cc1cccc(CNC(=O)c2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103782 CC(Cc1cccc(CC(=O)Nc2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103802 COc1ccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103783 CC(Cc1ccc(CC(=O)Nc2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103784 COc1ccc(CC(=O)Nc2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103785 C[C@H](Cc1cccc(CCNC(=O)c2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103803 CC(Cc1cc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1F)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103810 CC(Cc1ccc(CC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103811 COc1ccc(CC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103786 C[C@@H](Cc1cccc(CCNC(=O)c2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103787 C[C@H](Cc1ccc(CCNC(=O)c2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103788 C[C@@H](Cc1ccc(CCNC(=O)c2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103804 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(CNC(=O)Cc2cccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 |r|
BDBM103805 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(CNC(=O)Cc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r|
BDBM103806 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(CNC(=O)Cc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 |r|
BDBM103807 CC(Cc1cccc(CC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103812 COc1ccc(CC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1C[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103813 COc1ccc(CC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1C[C@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103808 C[C@H](Cc1cccc(CC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103809 C[C@@H](Cc1cccc(CC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103814 CC(Cc1cc(CC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1F)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103769 C[C@@H](Cc1cccc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103770 CC(Cc1ccc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103815 CC(Cc1cccc(CCNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103761 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1cc(C)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C |r|
BDBM103816 C[C@@H](Cc1cccc(CCNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103817 CC(Cc1ccc(CCNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103818 C[C@@H](Cc1ccc(CCNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103819 C[C@H](Cc1ccc(CCNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103820 CC(Cc1cccc(CCC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103821 C[C@H](Cc1cccc(CCC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103823 COc1ccc(CC(C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1CC(=O)NCc1ccc(cc1)N(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM103824 CC(Cc1ccc(F)c(CC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103825 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(CNC(=O)CCc2cccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1 |r|
BDBM103762 COc1cc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103763 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 |r|
BDBM103771 CC(Cc1ccc(NC(=O)c2ccc(C)c(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103772 C[C@H](Cc1ccc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103789 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 |r|
BDBM103790 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cc(C)c(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2C)c1 |r|
BDBM103764 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cc(ccc1C)C(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 |r|
BDBM103773 C[C@@H](Cc1ccc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103774 CC(Cc1cccc(CNC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103791 COc1cc(NC(=O)Cc2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM103792 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(CC(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1 |r|
BDBM103800 CC(Cc1cc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM112777 [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM103765 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r|
BDBM50001786 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50001955 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
BDBM50002173 Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50002132 COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
BDBM50002133 C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50002134 C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1
BDBM50001689 OC(COc1cccc2[nH]c(cc12)C#N)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50001915 Clc1cccc(c1)N1CCNCC1
BDBM50005246 CC(N)Cc1ccccc1
BDBM50005836 COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50005833 COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
BDBM50006950 O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccccc1
BDBM50006951 Clc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50006952 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50006953 COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
BDBM50006954 Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50006955 COc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50006958 COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
BDBM50010686 Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
BDBM50017519 CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
BDBM50017550 CCCNC1CCc2nc(N)sc2C1
BDBM50017679 CC(COc1ccccc1)N(CCCl)Cc1ccccc1
BDBM50016018 COc1ccc2C[C@@H]3N(C)CCc4cc5OCOc5c(c34)-c2c1O |r|
BDBM50016017 CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
BDBM50019443 CC(C)NCC(O)COc1cccc2[nH]ccc12
BDBM50019355 COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
BDBM50020680 CCCN(CCC)CCc1cccc2NC(=O)Cc12
BDBM50025206 C[NH+](C)C1CCc2cc(O)c(O)cc2C1
BDBM50029050 CNC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50029051 NC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50028421 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50027065 CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4|
BDBM50027663 CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
BDBM50002596 O[C@@H](CNCCNc1cccc(c1)-c1cccc(n1)C(O)=O)c1cccc(Cl)c1
BDBM50002597 C[C@H](CNc1cccc(c1)-c1ccccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1
BDBM50002599 C[C@H](CNc1cccc(c1)-c1cccc(c1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
BDBM50002602 O[C@@H](CNCCNc1cccc(c1)-c1cncc(c1)C(O)=O)c1cccc(Cl)c1
BDBM50002608 O[C@@H](CNCCNc1cccc(c1)-c1cnccc1C(O)=O)c1cccc(Cl)c1
BDBM50002609 C[C@H](CNc1cccc(c1)-c1ncccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50036835 CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
BDBM50002610 COC(=O)c1cccc(c1)-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1
BDBM50002601 C[C@H](CNc1cccc(c1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
BDBM50002605 C[C@H](CNc1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
BDBM50002606 Cc1ccc(cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1)C(O)=O
BDBM50002595 O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
BDBM50048803 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
BDBM50051578 NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@@H](C[C@@H]1OCc1ccccc1)OCc1ccccc1
BDBM50051567 NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
BDBM50054067 CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
BDBM50060965 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
BDBM50070125 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccc(O)cc1
BDBM50070126 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)COc1ccc(O)cc1
BDBM50070127 Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070128 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1
BDBM50070129 COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070130 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)COc1ccc(O)cc1
BDBM50070131 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070132 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccc(O)cc1
BDBM50070133 C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
BDBM50070134 COc1ccc(CC[C@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1
BDBM50070135 CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070136 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)COc1ccc(O)cc1
BDBM50070137 CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070138 COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070139 COc1ccc(CC[C@@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070140 CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070141 O[C@@H](CNCCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1)COc1ccc(O)cc1
BDBM50070142 COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070143 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)COc1ccc(O)cc1
BDBM50070144 CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070145 CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070146 COc1ccc(CC[C@@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1
BDBM50070147 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)COc1ccc(O)cc1
BDBM50070148 O[C@@H](CNCCc1ccc(NS(=O)(=O)C2CCCCC2)cc1)COc1ccc(O)cc1
BDBM50070149 C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
BDBM50070150 O[C@@H](CNCCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1)COc1ccc(O)cc1
BDBM50070152 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(O)cc1
BDBM50070153 O[C@@H](CNCCc1ccc(O)cc1)COc1ccc(O)cc1
BDBM50070154 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)COc1ccc(O)cc1
BDBM50070155 O[C@@H](CNCCc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1)COc1ccc(O)cc1
BDBM50070156 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070157 CCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070158 CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070159 COCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070160 CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070161 CCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070162 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070163 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1)COc1ccc(O)cc1
BDBM50070164 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)cc1)COc1ccc(O)cc1
BDBM50070165 CC(C)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070166 CCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070167 CCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070168 COC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070169 CCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070170 CCCCCCNC(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070171 CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070172 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)cc1)COc1ccc(O)cc1
BDBM50070173 CCCCCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070174 CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070175 CC(C)OC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070176 CCCCCCN(C)C(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070177 CCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50070179 CCCCCCN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
BDBM50073568 COc1cc2nc(nc(N)c2cc1OC)N1CCNCC1
BDBM50073045 C[C@H](Cc1ccc(OCS(O)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50072373 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCCc3ccccc3)cc2)cc1)c1cccnc1
BDBM50072374 CCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50072375 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50072376 CS(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50072377 CCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50072378 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1)c1cccnc1
BDBM50072380 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccnc1
BDBM50072381 O[C@@H](CNCCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1)c1cccnc1
BDBM50072382 CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50072383 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccnc1
BDBM50072384 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)c1cccnc1
BDBM50072385 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)cc1)c1cccnc1
BDBM50072386 CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50072387 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
BDBM50072388 CCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50072389 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)c1cccnc1
BDBM50072390 CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50072391 CCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50072392 CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50072393 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccnc1
BDBM50071276 Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1
BDBM50071277 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1cccnc1
BDBM50071278 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(F)cc1
BDBM50071279 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)COc1cccnc1
BDBM50071280 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
BDBM50071281 Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1
BDBM50071282 CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
BDBM50071283 Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
BDBM50071284 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)COc1cccnc1
BDBM50071285 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)COc1cccnc1
BDBM50071286 Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1
BDBM50071287 Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1
BDBM50071288 COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
BDBM50071289 Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1
BDBM50071290 CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
BDBM50071291 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccccc1
BDBM50071292 COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1
BDBM50071293 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
BDBM50071294 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1
BDBM50071295 COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
BDBM50071296 Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1
BDBM50071297 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1cccnc1
BDBM50071298 CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
BDBM50071299 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)COc1cccnc1
BDBM50071300 CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
BDBM50075882 CCCCCCCCn1ncn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075907 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC3CCCC3)C2=O)cc1)c1cccnc1
BDBM50075908 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCc3ccccc3)C2=O)cc1)c1cccnc1
BDBM50075909 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC(=O)N3CCCC3)C2=O)cc1)c1cccnc1
BDBM50075910 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC3CCCCC3)C2=O)cc1)c1cccnc1
BDBM50075911 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC3CCCC3)c2=O)cc1)c1cccnc1
BDBM50075912 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC(F)(F)C(F)(F)F)C2=O)cc1)c1cccnc1
BDBM50075913 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCc3ccc(Cl)cc3)C2=O)cc1)c1cccnc1
BDBM50075914 CCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50075915 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC(F)(F)F)C2=O)cc1)c1cccnc1
BDBM50075916 CCCCC(C)(C)CN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50075883 CCCCCCn1c(C)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075884 CCCCCCn1cnn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075885 CCCCCCCCn1c(C)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075886 CCCCCCCCn1c(=O)[nH]n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075887 CCCCCCCCn1cc(O)n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075888 CCCCCCn1ncn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075889 CCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075890 CCCCCCn1c(=O)[nH]n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075891 CCCCCCn1c(O)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075892 CCCCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075893 CCCCCCn1cc(O)n(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075894 CCCCCCCCn1cnn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075895 CCCCCCCCn1c(O)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50075896 CCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50075897 CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50075898 CCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50075899 CN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50075900 COCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50075901 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(Cc3ccc(F)c(F)c3)c2=O)cc1)c1cccnc1
BDBM50075902 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC3CCCCC3)C2=O)cc1)c1cccnc1
BDBM50075903 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(Cc3ccc(F)c(F)c3)C2=O)cc1)c1cccnc1
BDBM50075904 CCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50075905 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC(F)(F)F)c2=O)cc1)c1cccnc1
BDBM50075906 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC3CCCC3)C2=O)cc1)c1cccnc1
BDBM50078783 CCCCCCCCc1cccc(c1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078784 CCCCCCCCc1csc(Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2)n1
BDBM50078785 CCCCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078786 CCCCCCCCc1ccnc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078787 CCCCCCCCc1cccc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078788 O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1cccc(CCCC2CCCC2)c1
BDBM50078789 CCCCCCc1ccnc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078790 Cc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078791 CNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078792 CCCCCCCCc1csc(n1)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50078793 CCCCCCN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078794 CCCCCCCCc1cnc(o1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078795 CCCCCCc1ccc(nc1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078796 O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1cccc(CCCC2CCCC2)n1
BDBM50078797 CN(C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1)C(C)(C)Cc1ccccc1
BDBM50078798 CCCCCCCCc1nc(no1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078799 O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1noc(CCCC2CCCC2)n1
BDBM50078800 CCCCCCCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078801 CCCCCCc1nc(no1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078802 CN(CCc1ccccc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078803 CCCCCCc1cccc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078804 CCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078805 CCCCCCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078806 CN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078807 CCCCCCNC(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50078808 CCCCCCCCN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078809 O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1nc(CCCC2CCCC2)cs1
BDBM50078810 CCCCCCc1cccc(c1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078811 CCCCCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50078813 CCCCCCCCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
BDBM50077647 CNCC(O)c1ccc(O)c2[nH]c(=O)sc12
BDBM50076959 CCCCCCCCn1nnn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50076960 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2nnn(CCCC3CCCC3)c2=O)cc1)c1cccnc1
BDBM50076961 CCCCCCn1nnn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
BDBM50084959 CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
BDBM50087513 NC[C@H](O)c1cc(O)c(O)cc1F
BDBM50087518 NC[C@H](O)c1ccc(O)c(O)c1F
BDBM50091766 CCCCCCc1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50091767 CC(=O)NCCCCCc1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50091768 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc3ncccc3c2)cc1)c1cccnc1
BDBM50091769 CCCCCCCCc1csc(Cc2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1
BDBM50091770 CC(C)(C)c1ccc(cc1)-c1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50091771 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2c[nH]c3ccccc23)cc1)c1cccnc1
BDBM50091772 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(CCc3ccccc3)cs2)cc1)c1cccnc1
BDBM50091773 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(Cc3ccc(F)cc3)cs2)cc1)c1cccnc1
BDBM50091774 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cc3ccccc3s2)cc1)c1cccnc1
BDBM50091775 CCCCCCc1ccc(cc1)-c1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50091776 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccccn2)cc1)c1cccnc1
BDBM50091777 CC(=O)Nc1ccc(cc1)-c1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50091778 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cc3ccccc3o2)cc1)c1cccnc1
BDBM50091779 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(O)cc2)cc1)c1cccnc1
BDBM50091780 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(Cc4ccc5ccccc5c4)cs3)cc2)cc1)c1cccnc1
BDBM50091781 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(CCCC3CCCC3)cs2)cc1)c1cccnc1
BDBM50091782 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc3ccccc3c2)cc1)c1cccnc1
BDBM50091783 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cccnc2)cc1)c1cccnc1
BDBM50091784 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(Cc3ccc4ccccc4c3)cs2)cc1)c1cccnc1
BDBM50091785 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(F)cc2)cc1)c1cccnc1
BDBM50091786 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(F)c(F)c2)cc1)c1cccnc1
BDBM50091787 CCCCCCCCc1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50091788 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cnc3ccccc3c2)cc1)c1cccnc1
BDBM50181836 COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|
BDBM50090148 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(n2)-c2ccc(F)c(F)c2)cc1)c1cccnc1
BDBM50090149 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CC3CCCC3)o2)cc1)c1cccnc1
BDBM50090150 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
BDBM50090151 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(n2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
BDBM50090152 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(F)cc3)n2)cc1)c1cccnc1
BDBM50090153 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCC3CCCC3)o2)cc1)c1cccnc1
BDBM50090154 CCCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50090155 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCCC3CCCC3)o2)cc1)c1cccnc1
BDBM50090156 Cc1nc(co1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50090157 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1)c1cccnc1
BDBM50090158 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(CCC3CCCC3)n2)cc1)c1cccnc1
BDBM50090159 Cc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50090160 CCCCCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50090161 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1)c1cccnc1
BDBM50090162 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccc(F)c(F)c2)cc1)c1cccnc1
BDBM50090163 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(F)cc3)n2)cc1)c1cccnc1
BDBM50090164 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccc(F)cc2)cc1)c1cccnc1
BDBM50090165 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
BDBM50090166 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
BDBM50090167 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccccc2)cc1)c1cccnc1
BDBM50090168 CC(C)(C)CCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50090169 CCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50090170 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
BDBM50089473 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
BDBM50089474 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(F)cc3)n2)cc1)c1cccnc1
BDBM50089475 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(Cc3ccc(F)c(F)c3)no2)cc1)c1cccnc1
BDBM50089456 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCC(=O)N3CCCC3)n2)cc1)c1cccnc1
BDBM50089457 CC(C)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089458 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCC3)n2)cc1)c1cccnc1
BDBM50089459 Cc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089460 CCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089461 CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089462 CCC(O)CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089463 CCC(=O)CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089464 CC(=O)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089465 CCCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089466 CC(O)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089467 CCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089468 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCOC3CCCC3)n2)cc1)c1cccnc1
BDBM50089469 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCCC3)n2)cc1)c1cccnc1
BDBM50089470 CCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089471 CCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50089472 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc(cc3)-c3nnn[nH]3)n2)cc1)c1cccnc1
BDBM50089476 CC(=O)Nc1ccc(Cc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
BDBM50089477 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc(F)cc3)n2)cc1)c1cccnc1
BDBM50089478 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(Cc3ccc(F)cc3)no2)cc1)c1cccnc1
BDBM50089479 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1)c1cccnc1
BDBM50089480 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccccc3O)n2)cc1)c1cccnc1
BDBM50089481 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(n2)C(O)c2ccc(F)cc2)cc1)c1cccnc1
BDBM50089482 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3cccc(F)c3)n2)cc1)c1cccnc1
BDBM50089483 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc4ccccc4c3)n2)cc1)c1cccnc1
BDBM50089484 CC(=O)Nc1ccc(OCc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
BDBM50089485 CS(=O)(=O)Nc1ccc(Cc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
BDBM50089486 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(COc3ccc(F)cc3)no2)cc1)c1cccnc1
BDBM50089487 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1)c1cccnc1
BDBM50089488 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(n2)C(=O)c2ccc(F)cc2)cc1)c1cccnc1
BDBM50089489 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc4ccccc4c3)n2)cc1)c1cccnc1
BDBM50089490 CNC(=O)NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
BDBM50089491 CS(=O)(=O)NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
BDBM50089492 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(cc3)-c3ccccn3)n2)cc1)c1cccnc1
BDBM50089493 COC(=O)NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
BDBM50089494 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(COc3ccc(F)c(F)c3)no2)cc1)c1cccnc1
BDBM50089495 COc1ccc(OCc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
BDBM50089496 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1)c1cccnc1
BDBM50089497 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
BDBM50089498 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
BDBM50089499 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1)c1cccnc1
BDBM50089500 CSc1ccc(Cc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
BDBM50089501 NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
BDBM50094968 CN1CCN=C1Cc1cccnc1 |c:4|
BDBM50093034 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
BDBM50093035 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(OCC2NCCc3cc(O)c(O)cc23)cc1
BDBM50093036 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(OCC3NCCc4cc(O)c(O)cc34)ccc2c1
BDBM50093037 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccc(OCC2NCCc3cc(O)c(O)cc23)cc1
BDBM50093038 COc1cc(cc(OC)c1OC)-c1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
BDBM50093039 COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I
BDBM50093040 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
BDBM50093041 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(CC3NCCc4cc(O)c(O)cc34)ccc2c1
BDBM50093042 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cccc(CC2NCCc3cc(O)c(O)cc23)c1
BDBM50093043 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1ccc(OCC2NCCc3cc(O)c(O)cc23)cc1
BDBM50093044 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
BDBM50002598 C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50093033 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1cccc(CC2NCCc3cc(O)c(O)cc23)c1
BDBM50092023 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2cccc(F)c2)cc1)c1cccnc1
BDBM50092024 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
BDBM50092025 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(COc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
BDBM50092026 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
BDBM50092027 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1)c1cccnc1
BDBM50092028 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
BDBM50092029 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3ccc(F)cc3)n2)cc1)c1cccnc1
BDBM50092031 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(F)cc2)cc1)c1cccnc1
BDBM50092032 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
BDBM50092033 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(F)c(F)c2)cc1)c1cccnc1
BDBM50092034 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3c(F)cccc3F)n2)cc1)c1cccnc1
BDBM50092036 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1)c1cccnc1
BDBM50092644 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(F)cc2F)cc1)c1cccnc1
BDBM50092645 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
BDBM50092646 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)cc1)c1cccnc1
BDBM50092647 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cc(F)c(F)c(F)c2)cc1)c1cccnc1
BDBM50092648 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cccc(c2)C(F)(F)F)cc1)c1cccnc1
BDBM50092649 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cccc(F)c2F)cc1)c1cccnc1
BDBM50092650 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccccc2C(F)(F)F)cc1)c1cccnc1
BDBM50092019 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1)c1cccnc1
BDBM50092020 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3cccc(F)c3)n2)cc1)c1cccnc1
BDBM50092021 COc1ccc(cc1F)-c1cnn(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50092022 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(OC(F)(F)F)cc2)cc1)c1cccnc1
BDBM50097798 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)[nH]c2O)cc1
BDBM50097799 O[C@@H](CNC1CCN(CC1)c1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(O)c(NS(=O)(=O)c2ccccc2)c1
BDBM50098659 CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O
BDBM50098660 CCOC(=O)CNC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
BDBM50098661 CC(C)[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O
BDBM50098662 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50098663 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(N)=O
BDBM50098664 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N1CCC[C@H]1C(O)=O
BDBM50098667 CCCCN(CC(O)=O)C(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
BDBM50098668 CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12
BDBM50098670 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(COCC(O)=O)cc1
BDBM50098671 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(CCC(O)=O)cc1
BDBM50098653 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(NC(=O)CC(O)=O)cc1
BDBM50098654 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCC(O)=O
BDBM50098656 CCCCN(c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)S(=O)(=O)CC(O)=O
BDBM50098657 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(O)=O
BDBM50098658 CCCCN(C(=O)CC(O)=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
BDBM50096761 OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(I)c2)cc1)c1cccnc1
BDBM50096762 O[C@@H](CNCCc1ccc(NC(Nc2cc(Cl)cc(Cl)c2)=NC#N)cc1)c1cccnc1 |w:21.22|
BDBM50096763 O[C@@H](CNCCc1ccc(NC(Nc2cccc(F)c2)=NC#N)cc1)c1cccnc1 |w:20.21|
BDBM50096764 CCCCCCCCc1csc(n1)N1CCc2c1cccc2NC(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)=NC#N |w:43.48|
BDBM50096765 OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cc(Cl)cc(Cl)c2)cc1)c1cccnc1
BDBM50096766 OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(Oc3ccccc3)c2)cc1)c1cccnc1
BDBM50096767 NC(=O)c1cccc(c1)\[NH+]=C(/[CH-][N+]([O-])=O)Nc1ccc(CCNCC(O)c2cccnc2)cc1
BDBM50096768 O[C@@H](CNCCc1ccc(NC(Nc2cccc3N(CCc23)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1 |w:38.42|
BDBM50096769 O[C@@H](CNCCc1ccc(NC(Nc2cccc(Oc3ccccc3)c2)=NC#N)cc1)c1cccnc1 |w:26.28|
BDBM50096770 O[C@@H](CNCCc1ccc2cc(NC(Nc3ccc4N(CCc4c3)c3nc(cs3)-c3ccc(OC(F)(F)F)cc3)=NC#N)ccc2c1)c1cccnc1 |w:40.44|
BDBM50096771 O[C@@H](CNCCc1ccc(NC(Nc2ccc(I)cc2)=NC#N)cc1)c1cccnc1 |w:20.21|
BDBM50096772 CCCCCCCCc1csc(n1)N1CCc2cc(NC(Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)=NC#N)ccc12 |w:40.43|
BDBM50096773 CCCCCCCCc1csc(n1)N1CCc2ccc(NC(Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)=NC#N)cc12 |w:41.44|
BDBM50096774 O[C@@H](CNCCc1ccc(NC(Nc2ccc3CCN(c4nc(cs4)-c4ccc(OC(F)(F)F)cc4)c3c2)=NC#N)cc1)c1cccnc1 |w:38.42|
BDBM50096775 O[C@@H](CNCCc1ccc(NC(Nc2ccc3N(CCc3c2)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1 |w:38.42|
BDBM50096776 OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(F)c2)cc1)c1cccnc1
BDBM50096777 O[C@@H](CNCCc1ccc(NC(Nc2ccc3ccccc3c2)=NC#N)cc1)c1cccnc1 |w:23.25|
BDBM50096778 CCCCCCCCc1csc(n1)N1CCc2cc(NC(=S)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)ccc12
BDBM50096779 OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2ccc3ccccc3c2)cc1)c1cccnc1
BDBM50096780 CCCCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50096781 O[C@@H](CNCCc1ccc(NC(Nc2cccc(I)c2)=NC#N)cc1)c1cccnc1 |w:20.21|
BDBM50096782 O[C@@H](CNCCc1ccc(NC(Nc2cccc3ccccc23)=NC#N)cc1)c1cccnc1 |w:23.25|
BDBM50096783 OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc3ccccc23)cc1)c1cccnc1
BDBM50096784 NC(=O)c1cccc(NC(Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)=NC#N)c1 |w:29.31|
BDBM50095890 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
BDBM50099150 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cn2oc(=O)[nH]c2=O)cc1
BDBM50099151 CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 |w:12.13,t:6|
BDBM50099160 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)n(CC(O)=O)c2O)cc1
BDBM50115277 CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
BDBM50119202 CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1
BDBM50119180 CCCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
BDBM50119182 O[C@@H](CNCC1CCN(CC1)C(=O)Nc1cccc(c1)C(O)=O)COc1cccc2[nH]c3ccccc3c12
BDBM50119183 CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
BDBM50119184 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
BDBM50119185 CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)CC1
BDBM50119186 O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12
BDBM50119187 CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)NCc3cc(F)ccc3F)cc2)ccc1O
BDBM50119193 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(cn1)C(O)=O
BDBM50119194 CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1
BDBM50119195 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(CC(O)=O)c2ccccc12
BDBM50119196 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1
BDBM50119197 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1ccc2c(cccc12)C(O)=O
BDBM50119198 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50119199 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50119200 CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1)C(O)=O
BDBM50119201 CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1
BDBM50118576 C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
BDBM50118579 C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
BDBM50122872 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
BDBM50126061 C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1
BDBM50126062 C[C@@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(Cl)c1
BDBM50126063 CC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1
BDBM50126064 C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1
BDBM50126065 COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
BDBM50126067 C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1
BDBM50126069 C[C@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(Cl)c1
BDBM50126071 COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
BDBM50126074 C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1
BDBM50130293 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50130257 CN(C)CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12
BDBM50128690 Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c2sc(=O)[nH]c12
BDBM50129441 COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12
BDBM50129442 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
BDBM50129443 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12
BDBM50129445 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1ccc(O)cc1
BDBM50129447 CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)c1ccc(O)cc1
BDBM50129450 COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
BDBM50129452 CCCCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
BDBM50129454 CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
BDBM50132097 COc1ccc2c3CCNCc3[nH]c2c1
BDBM50131281 CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
BDBM50130948 CCCCCCCCN1NCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50130949 CCCCCCCCN1CNN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
BDBM50148502 COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccccc1
BDBM50148514 COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2OCOc2c1
BDBM50151721 O[C@@H](CNCCc1ccc(OCCc2ccccc2)cc1)c1ccc(O)c(NC=O)c1
BDBM50151722 O[C@@H](CNCCc1ccc(Oc2ccccc2)cc1)c1ccc(O)c(NC=O)c1
BDBM50151723 O[C@@H](CNCCc1ccc(OCCCCc2ccccc2)cc1)c1ccc(O)c(NC=O)c1
BDBM50151724 O[C@@H](CNCCc1cccc(OCCCOc2ccccc2)c1)c1ccc(O)c(NC=O)c1
BDBM50151717 O[C@@H](CNCCc1ccc(OC2Cc3ccccc3C2)cc1)c1ccc(O)c(NC=O)c1
BDBM50151718 O[C@@H](CNCCc1cccc(OCCCCc2ccccc2)c1)c1ccc(O)c(NC=O)c1
BDBM50151719 O[C@@H](CNCCc1ccc(OCCCc2ccccc2)cc1)c1ccc(O)c(NC=O)c1
BDBM50151720 COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r|
BDBM206769 COc1cccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 |r|
BDBM206770 COc1cccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)c1 |r|
BDBM206771 C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM206772 C[C@@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM206774 C[C@@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 |r|
BDBM206775 CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM206773 C[C@H](Cc1cccc(N)c1)NC[C@@H](O)c1cc(O)cc(O)c1 |r|
BDBM206776 CCCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM206777 CCCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 |r|
BDBM206778 CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 |r|
BDBM50156257 C[C@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
BDBM50156258 C[C@H](Cc1c[nH]c2c(OS(=O)(=O)C(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
BDBM50156259 C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
BDBM50156260 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
BDBM50156261 C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
BDBM50156262 CC(C)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
BDBM50156267 CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12
BDBM50156270 CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
BDBM50156278 C[C@H](Cc1c[nH]c2c(cccc12)S(C)(=O)=O)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1
BDBM50156246 CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
BDBM50156247 CCOc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
BDBM50156248 C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
BDBM50156250 COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
BDBM50156251 C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
BDBM50156252 C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
BDBM50156253 CCOC(=O)c1ccc(cc1)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
BDBM50156254 C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
BDBM50156255 C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccc(cc3)C(O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
BDBM50156256 CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
BDBM50160160 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
BDBM50158610 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
BDBM50161093 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N |r|
BDBM50160811 CC#CCNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
BDBM50160813 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OCc2ccccc2)c1
BDBM50160814 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1
BDBM50160815 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C)c1
BDBM50160816 C\C=C\CNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
BDBM50160817 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC(C)=C)c1
BDBM50160818 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1
BDBM50160819 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC\C=C\c2ccccc2)c1
BDBM50160820 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1
BDBM50160821 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)|
BDBM50160822 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccccc2)c1
BDBM50160823 C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC#C)c1
BDBM50160824 CC\C=C\CNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
BDBM50167939 c1ccccc1
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50176062 CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|
BDBM50174702 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
BDBM50180054 COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
BDBM50181837 Cn1nc(C(=O)OC[C@@H]2CCN3CCC[C@@H]23)c2ccccc12
BDBM50181839 Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
BDBM50181840 O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1c[nH]c2ccccc12
BDBM50181841 O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1[nH]nc2ccccc12
BDBM50193805 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c12
BDBM50193806 CCCn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
BDBM50193801 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12
BDBM50193802 CCn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
BDBM50193803 Cn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
BDBM50193804 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c12
BDBM50205504 CCCCOc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1
BDBM50205505 CC(C)(C)NCC(O)c1cc(NS(C)(=O)=O)no1 |w:6.6|
BDBM50205506 CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1
BDBM50205507 C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cc(Br)no1
BDBM50205508 C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@@H](O)c1cc(Br)no1
BDBM50205509 CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1
BDBM50205510 CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1
BDBM50214212 COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214213 COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214215 COc1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214216 COc1ccc(cc1OC)[C@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214220 CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O
BDBM50214221 COc1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214223 COc1ccc(cc1)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214224 COc1ccc(cc1OC)[C@H](CCc1cccc(Cl)c1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214225 COc1ccc(cc1OC)[C@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214226 COc1cccc(c1)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214227 COc1ccc(cc1OC)[C@H](CCc1ccc(Cl)cc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214228 COc1ccc(cc1OC)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214230 COc1cccc(c1)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214231 CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O
BDBM50214233 CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O
BDBM50214235 COc1cccc(c1)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214237 COc1ccc(cc1O)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50214242 COc1ccc(cc1OC)[C@H](CCc1ccccc1Cl)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50213737 Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
BDBM50212728 CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50212729 C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50212730 OCc1cc(ccc1O)[C@@H](O)CNCCc1cccc(CC(=O)NCc2ccccc2)c1
BDBM50213105 CCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213106 C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213107 CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213108 C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213109 CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213110 C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213111 C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213112 C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213096 C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213097 COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1
BDBM50213098 C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213099 COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
BDBM50213100 C[C@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213101 C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213102 COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1
BDBM50213103 C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213104 C[C@@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213113 CCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213114 C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213115 C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213116 C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213117 C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1
BDBM50213118 C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1
BDBM50213119 O[C@@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
BDBM50213120 COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
BDBM50213121 O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50218164 Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
BDBM50218165 O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1
BDBM50218166 O[C@@H](CNCCOc1ccc(cc1)-c1cocn1)c1cccnc1
BDBM50218167 CC(C)c1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
BDBM50218168 CCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
BDBM50218170 OCc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
BDBM50218173 Cc1nc(co1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
BDBM50218174 O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1
BDBM50220910 O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
BDBM50220911 O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
BDBM50224021 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(C)(C)c12
BDBM50224022 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C3(CCCCC3)c12
BDBM50224023 CCC1(CC)C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12
BDBM50224024 CC(C)CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12 |w:4.3|
BDBM50224025 CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12 |w:1.0|
BDBM50224026 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)Cc12
BDBM50224027 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(Cc3ccccc3)(Cc3ccccc3)c12
BDBM50224028 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C3(CCC3)c12
BDBM50224029 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(Cc3ccccc3)c12 |w:34.36|
BDBM50224030 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C3(CC3)c12
BDBM50224031 CC(C)C1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)c12 |w:3.2|
BDBM50224032 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C3(CCCC3)c12
BDBM50223428 COc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
BDBM50223429 C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCC1CCC1)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50223430 C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50223431 C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H](C)c1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50223432 C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1c(F)cccc1F)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50223433 C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)N(C)Cc1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50223434 COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
BDBM50223435 C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccccn1)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50223436 COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1C
BDBM50223437 C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50223438 COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1Cc1ccccc1
BDBM50223439 C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccc(cc1)S(N)(=O)=O)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50223440 CSc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
BDBM50223441 C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1nccs1)NC[C@H](O)c1ccc(O)c(CO)c1 |r|
BDBM50223442 CCn1c(cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc12)C(=O)NCc1c(OC)cccc1OC
BDBM50223443 CC[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1c(OC)cccc1OC)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50223444 COc1cccc(CCNC(=O)c2cc3cc(C[C@@H](C)NC[C@H](O)c4ccc(O)c(CO)c4)ccc3[nH]2)c1
BDBM50240563 CCOC(=O)COc1ccc2CCC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r|
BDBM50236152 O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
BDBM50236160 CC(C)Nc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
BDBM50236181 CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
BDBM50236182 COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
BDBM50236183 CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
BDBM50236184 CC(C)Sc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
BDBM50236185 CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
BDBM50231889 CCCCCc1c(CO)c2cc(C)c(cc2n1CCc1ccccc1)C(O)=O
BDBM50231890 Cc1cc2[nH]c(C(=O)NCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O
BDBM50231891 CCCCC(O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O |w:4.4|
BDBM50231892 Cc1cc2[nH]c(C(O)CCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O |w:6.6|
BDBM50231893 Cc1cc2c(CO)c(CCCCC(O)=O)n(CCc3ccccc3)c2cc1C(O)=O
BDBM50252659 Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
BDBM50249662 CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1 |r|
BDBM50249663 CC(C)Sc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1 |r|
BDBM50250422 COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
BDBM50252513 Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50259252 O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(OCc3ccccc3)n2)cc1)COc1ccccc1 |r|
BDBM50259253 O[C@@H](CNCCc1ccc(NC(=O)Cc2ncc[nH]2)cc1)COc1ccccc1 |r|
BDBM50259254 O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2-c2ccccc2)cc1)COc1ccccc1 |r|
BDBM50259255 O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)COc1ccccc1 |r|
BDBM50259320 O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3n2Cc2ccccc2)cc1)COc1ccccc1 |r|
BDBM50259321 O[C@@H](CNCCc1ccc(NC(=O)Cc2cn(Cc3ccccc3)cn2)cc1)COc1ccccc1 |r|
BDBM50259322 O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc(Cl)cc2)cc1)COc1ccccc1 |r|
BDBM50259364 O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc(Br)cc2)cc1)COc1ccccc1 |r|
BDBM50259365 O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc3ccccc3c2)cc1)COc1ccccc1 |r|
BDBM50259366 CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 |r|
BDBM50259124 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]ccc12 |r|
BDBM50259125 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1ccc(O)cc1 |r|
BDBM50259468 CN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
BDBM50259469 CCCN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
BDBM50259522 O[C@@H](CNCCc1ccc2N(CCCc2c1)C(=O)Cc1nccn1Cc1ccccc1)COc1ccccc1 |r|
BDBM50259164 CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccn3)cc2)cc1 |r|
BDBM50259165 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1ccccc1 |r|
BDBM50259166 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccnc1 |r|
BDBM50259167 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]c(=O)[nH]c12 |r|
BDBM50259205 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]c3ccccc3c12 |r|
BDBM50259206 Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
BDBM50259207 Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 |r|
BDBM50259208 O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(Cl)n2)cc1)COc1ccccc1 |r|
BDBM50243167 Nc1ccc(cn1)[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1 |r|
BDBM50243342 CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1 |r|
BDBM50243343 CCCOc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1 |r|
BDBM50243222 C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1ccccc1 |r|
BDBM50243225 CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1 |r|
BDBM50243390 C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccnc1 |r|
BDBM50243391 CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccnc2)cc1 |r|
BDBM50243392 CCCOc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccnc2)cc1 |r|
BDBM50243064 CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
BDBM50241366 CC(C)NC[C@H](O)COc1cccc(C)c1 |r|
BDBM50243110 CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1 |r|
BDBM50243112 O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccnc1 |r|
BDBM50243113 CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1 |r|
BDBM50267986 COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2Cl)cc1
BDBM50267987 COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1
BDBM50267988 COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1
BDBM50268075 COc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 |r|
BDBM50268076 COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 |r|
BDBM50268077 COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 |r|
BDBM50293414 O[C@@H](CNCCc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)COc1ccc(O)cc1 |r|
BDBM50293415 O[C@@H](CNCCc1ccc(NC(=O)C(O)c2ccccc2)cc1)COc1ccc(O)cc1 |r|
BDBM50293416 NC(C(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 |r|
BDBM50293417 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccc2Cl)cc1)COc1ccc(O)cc1 |r|
BDBM50293418 O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1)COc1ccc(O)cc1 |r|
BDBM50293419 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)COc1ccc(O)cc1 |r|
BDBM50293420 COc1ccccc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 |r|
BDBM50293421 COc1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1 |r|
BDBM50293422 COc1ccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 |r|
BDBM50293423 O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc3ccccc23)cc1)COc1ccc(O)cc1 |r|
BDBM50293424 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1)COc1ccc(O)cc1 |r|
BDBM50293425 O[C@@H](CNCCc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1)COc1ccc(O)cc1 |r|
BDBM50293426 O[C@@H](CNCCc1ccc(NC(=O)Cc2cccs2)cc1)COc1ccc(O)cc1 |r|
BDBM50293427 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccsc2)cc1)COc1ccc(O)cc1 |r|
BDBM50293428 O[C@@H](CNCCc1ccc(NC(=O)Cc2cccnc2)cc1)COc1ccc(O)cc1 |r|
BDBM50293429 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccncc2)cc1)COc1ccc(O)cc1 |r|
BDBM50293430 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccc3ccccc3n2)cc1)COc1ccc(O)cc1 |r|
BDBM50293431 O[C@@H](CNCCc1ccc(NC(=O)Cc2cc3ccccc3cn2)cc1)COc1ccc(O)cc1 |r|
BDBM50293432 O[C@@H](CNCCc1ccc(NC(=O)Cc2ncccn2)cc1)COc1ccc(O)cc1 |r|
BDBM50293433 O[C@@H](CNCCc1ccc(NC(=O)Cc2cnccn2)cc1)COc1ccc(O)cc1 |r|
BDBM50293434 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccc2)cc1)COc1ccc(O)cc1 |r|
BDBM50273005 COc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
BDBM50274012 CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12
BDBM50272803 O[C@@H](CN[C@H]1CCCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
BDBM50272805 O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(cn3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
BDBM50272615 CN(C)c1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
BDBM50272642 COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc1C(O)=O |r|
BDBM50274013 Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c3ccccc3)c3ccccc3)c12
BDBM50274014 CC(C)(C)NCC(O)COc1cccc2[nH]cc(CC(N)=O)c12
BDBM50273047 COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)cc2)cc1C(O)=O |r|
BDBM50273079 COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)nc2)cc1C(O)=O |r|
BDBM50272765 O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
BDBM50273113 O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)cc1 |r|
BDBM50273151 O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(cc1)C(F)(F)F |r|
BDBM50273154 O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)nc1 |r|
BDBM50271019 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50272840 O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(s3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
BDBM50272842 O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(OCC(O)=O)cc1)c1cccc(Cl)c1 |r|
BDBM50272876 O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
BDBM50272880 O[C@@H](CN[C@H]1CCc2ccc(OCC(O)=O)cc2C1)c1cccc(Cl)c1 |r|
BDBM50292375 CNC[C@H](O)c1ccc(O)cc1 |r|
BDBM50289563 C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50289564 C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50289565 C[C@H](Cc1ccc(OCP(C)(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50289566 C[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50289567 C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50289568 CC(C)OP(O)(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
BDBM50289569 C[C@H](Cc1ccc(OCP(O)(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50277534 CS(=O)(=O)NC(=O)c1ccc(cc1NC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
BDBM50274875 CC(C)NCC(O)COc1ccc2N(Cc3ccccc3)CCCc2c1
BDBM50275223 COc1ccc(CCNCC(O)COc2ccc3N(Cc4ccccc4)CCCc3c2)cc1
BDBM50277506 CC(C)Sc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
BDBM50277509 CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
BDBM50277525 CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1 |r|
BDBM50277526 CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1 |r|
BDBM50277527 Nc1ccncc1[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1 |r|
BDBM50277529 CC(C)Nc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
BDBM50277531 CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
BDBM50287795 C[C@H](Cc1ncc(CCC(O)=O)s1)NC[C@H](O)COc1ccccc1
BDBM50287796 O[C@@H](CNCCOc1ccc(OCC(O)=O)cc1)COc1ccccc1
BDBM50287797 C[C@H](Cc1ncc(CCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
BDBM50287798 C[C@H](Cc1ncc(CCCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
BDBM50287799 C[C@H](Cc1ncc(CCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
BDBM50287800 C[C@H](Cc1ncc(CCCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
BDBM50027184 O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1
BDBM50027185 CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
BDBM50296957 CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1 |r|
BDBM50296967 C[C@H](NCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1)[C@H](O)c1ccc(O)cc1 |r|
BDBM50296345 C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10|
BDBM50295572 CC(C)NCC(O)c1cc(O)cc(O)c1
BDBM50295318 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccccc1 |r|
BDBM50295328 O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 |r|
BDBM50295329 O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 |r|
BDBM50295330 O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 |r|
BDBM50304075 CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50306798 COc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)c1
BDBM50306799 CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
BDBM50306800 COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |r|
BDBM50306801 CCc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
BDBM50306802 CC(C)(Cc1ccccc1C(F)(F)F)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306803 CC(C)(Cc1ccc(Br)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306804 CC(C)(Cc1ccc(Cl)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306805 CC(C)(Cc1ccc(F)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306806 CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306807 CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306808 CC(C)(Cc1ccc(cc1)C(F)(F)F)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306809 CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306810 CC(C)(Cc1ccc(cc1)-c1ccccc1)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306811 CC(C)(Cc1ccc(cc1)C(C)(C)C)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306812 CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
BDBM50306813 Cc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)c1
BDBM50306814 Cc1ccccc1CC(C)(C)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50306815 CC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50301245 CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C(N)CCCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50301246 [#6]C([#6])([#6]-c1ccc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)[#7]-[#6]-[#6](-[#8])-c1cc(-[#8])cc2-[#7]-[#6](=O)-[#6]-[#8]-c12
BDBM50301247 CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50301248 CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
BDBM50301249 CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1
BDBM50301250 CC(C)(Cc1ccc(NC(=O)CCCNCCCS(O)(=O)=O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50301251 CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50301252 CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50301253 [#6]C([#6])([#6]-c1ccc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)[#7]-[#6]-[#6](-[#8])-c1ccc(-[#8])c2-[#7]-[#6](=O)-[#6]-[#8]-c12
BDBM50301254 CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50301255 CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50301256 CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4NC(=O)COc34)cc2)CC1
BDBM50299545 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1 |r|
BDBM50299546 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1C#N |r|
BDBM50299889 Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)c1
BDBM50299890 CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299891 CC(C)(Cc1ccc(cc1)C(F)(F)F)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299892 CC(C)(Cc1ccc(cc1)C(O)=O)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299893 CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299894 CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299895 CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299896 CC(C)(Cc1cccc(c1)C(O)=O)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299897 CC(C)(Cc1ccc(cc1)C(C)(C)C)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299898 CC(C)c1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1
BDBM50299899 CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(CO)c1
BDBM50299900 Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299901 CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299902 CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1
BDBM50299903 CC(C)(Cc1ccc(cc1)-c1ccccc1)NCC(O)c1ccc(O)c2NC(=O)COc12
BDBM50299904 Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
BDBM50299905 CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1ccc(O)c(CO)c1
BDBM50299906 CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50299907 CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(Cl)c(N)c(Cl)c1
BDBM50299908 CCc1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1
BDBM50299909 CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1
BDBM50301291 Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1
BDBM50318978 OC(COc1ccccc1CC=C)CN1CCOCC1
BDBM50318979 CC(C)c1ccccc1OCC(O)CN1CCOCC1
BDBM50328282 OC(CNC1CCN(CC1)c1ncnc2ccsc12)COc1ccccc1
BDBM50328283 OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3sccc23)ccc1O
BDBM50328284 OC(CNC1CCN(CC1)c1ncnc2sccc12)COc1ccc(O)cc1
BDBM50328285 OC(CNC1CCN(CC1)c1ncnc2sccc12)COc1ccccc1
BDBM50328286 Cc1csc2ncnc(N3CCC(CC3)NCC(O)COc3ccc(O)c(CO)c3)c12
BDBM50328287 Cc1csc2ncnc(N3CCC(CC3)NCC(O)COc3ccc(O)cc3)c12
BDBM50328288 Cc1csc2ncnc(N3CCC(CC3)NCC(O)COc3ccccc3)c12
BDBM50328289 Cc1c(sc2ncnc(N3CCC(CC3)NCC(O)COc3ccc(O)c(CO)c3)c12)-c1ccccc1
BDBM50328290 Cc1c(sc2ncnc(N3CCC(CC3)NCC(O)COc3ccc(O)cc3)c12)-c1ccccc1
BDBM50328291 Cc1c(sc2ncnc(N3CCC(CC3)NCC(O)COc3ccccc3)c12)-c1ccccc1
BDBM50328292 OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4cccs4)c23)ccc1O
BDBM50328293 OC(CNC1CCN(CC1)c1ncnc2scc(-c3cccs3)c12)COc1ccc(O)cc1
BDBM50328294 OC(CNC1CCN(CC1)c1ncnc2scc(-c3cccs3)c12)COc1ccccc1
BDBM50328295 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12)COc1ccc(O)cc1
BDBM50328296 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12)COc1ccccc1
BDBM50328298 CCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
BDBM50328299 CCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
BDBM50328300 COCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
BDBM50328301 OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
BDBM50328302 OCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
BDBM50328304 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccc(O)c(O)c1
BDBM50328305 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(c1)C(=O)N1CCOCC1
BDBM50328306 CNC(=O)c1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
BDBM50328307 CC(=O)Nc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
BDBM50328308 NC(=O)Nc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
BDBM50328309 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(c1)C#N
BDBM50328310 CC(C)c1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
BDBM50328311 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1CC=C
BDBM50328312 CCc1ccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)cc1
BDBM50328323 OCc1ccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)cc1O
BDBM50328324 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(c1)C(O)=O
BDBM50328325 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cc(O)ccc1C(O)=O
BDBM50328326 CCc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
BDBM50328327 OCc1ccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)cc1
BDBM50328328 OCc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
BDBM50328329 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccc(F)cc1
BDBM50328330 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(F)c1
BDBM50328331 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1F
BDBM50328332 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(OC(F)(F)F)c1
BDBM50328333 COc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
BDBM50328334 COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
BDBM50328335 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccc(O)cc1
BDBM50328336 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(O)c1
BDBM50328337 OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1
BDBM50328338 OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3ccsc23)ccc1O
BDBM50328339 OC(CNC1CCN(CC1)c1ncnc2ccsc12)COc1ccc(O)cc1
BDBM50318980 CN1CCC(CC1)NCC(O)COc1ccccc1CC=C
BDBM50318981 CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1
BDBM50318982 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1
BDBM50317865 CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
BDBM50318984 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
BDBM50318985 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1
BDBM50318986 COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
BDBM50318987 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1
BDBM50318988 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccccc1
BDBM50318989 COc1ccc(cc1)C(=O)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
BDBM50318990 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50318991 CC(C)c1ccc(C)cc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM50318992 OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM50318993 COc1ccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)cc1
BDBM50318994 CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM50318995 COc1cc(CC=C)ccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM50318996 COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c(c1)C(C)(C)C
BDBM50318997 OC(COc1ccc2[nH]ccc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM50318998 OC(COc1cccc2[nH]ccc12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM50318999 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM50319000 CC(C)c1ccc(C)cc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM50319002 CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM50319003 OC(COc1ccccc1CC=C)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
BDBM50319004 CC(C)c1ccccc1OCC(O)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50318971 OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1
BDBM50318972 COc1cc2C(=O)N(CC3CCN(CC(O)COc4ccccc4CC=C)CC3)C(=O)c3cccc(c1)c23
BDBM50318973 COc1cc2C(=O)N(CC3CCN(CC(O)COc4ccccc4C(C)C)CC3)C(=O)c3cccc(c1)c23
BDBM50318974 OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1
BDBM50318975 CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1
BDBM50318976 OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)CCCC2=O)CC1
BDBM50318977 CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1
BDBM50318983 COc1cc2C(=O)N(CC3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)C(=O)c3cccc(c1)c23
BDBM50318153 CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c2[nH]c(=O)ccc12 |r|
BDBM50318154 CCc1ccc(CC)c2CC(Cc12)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50318155 COc1cc2CC(Cc2cc1OC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50318156 COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r|
BDBM50318157 CCCCc1cc2CC(Cc2cc1CCCC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50318158 CCCc1cc2CC(Cc2cc1CCC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50318159 CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50318160 Cc1cc2CC(Cc2cc1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50318161 O[C@@H](CNC1Cc2ccccc2C1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50323040 CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
BDBM50323402 COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1
BDBM50324827 O[C@@H](CN[C@@H]1CCCC[C@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324828 O[C@@H](CN[C@H]1CCCC[C@@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324829 CC1(C)[C@@H]2CC[C@]1(C)[C@H](C2)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r,THB:10:8:4.5:1|
BDBM50324830 CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r,THB:10:8:4.5:1|
BDBM50324831 O[C@@H](CNC1CCCC1C1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324832 O[C@@H](CNC1CCCCC1C1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324833 O[C@@H](CNC1CCN(CCN2CCCCCC2)CC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324834 O[C@@H](CNCCOc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324835 CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 |r|
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50324836 O[C@@H](CN[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324837 O[C@@H](CNCCSc1ccc(Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324838 CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324839 CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324840 C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 |r|
BDBM50324841 C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 |r|
BDBM50324842 CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324843 O[C@@H](CNCC12CC3CC(CC(C3)C1)C2)c1ccc(O)c2[nH]c(=O)sc12 |r,TLB:8:9:6.7.12:13,THB:8:7:13:14.9.10,10:9:6:12.11.13,10:11:6:14.8.9|
BDBM50324844 O[C@@H](CNCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324845 Cc1onc(c1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)-c1ccccc1 |r|
BDBM50324846 O[C@@H](CNCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324847 CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324848 O[C@@H](CN[C@@H]1CCCc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324849 O[C@@H](CN[C@H]1CCCc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324850 O[C@@H](CNCCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324851 C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 |r|
BDBM50324852 C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 |r|
BDBM50324853 O[C@@H](CNC1CCCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324854 O[C@@H](CN[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324855 O[C@@H](CN[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324856 O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50324857 O[C@@H](CN[C@@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50326540 CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326541 CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326542 CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)c(O)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326543 Cc1cc(O)cc(C)c1CNC(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 |r|
BDBM50326544 CC(C)(Cc1cccc(CC(=O)NCc2ccc(O)cc2Cl)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326545 CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
BDBM50326546 C[C@H](Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c(CO)c1 |THB:11:12:15:19.18.17,20:12:15:19.18.17,20:18:12.13.21:15,17:16:13:19.18.20,17:18:13:21.15.16|
BDBM50326536 CCN(Cc1ccc(O)cc1Cl)C(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 |r|
BDBM50326537 CC(C)(Cc1cccc(CC(=O)NCc2cccc(c2)-c2ccc(O)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326538 CC(C)(Cc1cccc(CC(=O)NCc2ccc(cc2)-c2ccc(O)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326539 CC(C)(Cc1cccc(CC(=O)NCc2ccc3cc(O)ccc3c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326547 C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
BDBM50326548 C[C@H](Cc1cccc(CC(=O)NCC2CCCCC2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326549 CC(C)(Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326550 C[C@H](Cc1cccc(CC(=O)NCc2ccc(C)c(C)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326553 C[C@H](Cc1cccc(CC(=O)NCCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326554 C[C@H](Cc1cccc(CC(=O)NCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326551 CCOc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 |r|
BDBM50326552 COc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 |r|
BDBM50326555 CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50326556 C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
BDBM50313919 Cc1ccccc1C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
BDBM50313920 O[C@@H](CNCCc1ccc(NC(=O)CN2CC(CC2=O)c2ccccc2)cc1)c1cccnc1 |r|
BDBM50313921 O[C@@H](CNCCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1)c1cccnc1 |r|
BDBM50313922 O[C@@H](CNCCc1ccc(NC(=O)Cn2c3ccccc3cnc2=O)cc1)c1cccnc1 |r|
BDBM50313923 Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C |r|
BDBM50313924 Cc1ccc(C)c(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
BDBM50313925 O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccc2)cc1)c1cccnc1 |r|
BDBM50313926 O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
BDBM50313927 O[C@@H](CNCCc1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1)c1cccnc1 |r|
BDBM50313928 O[C@@H](CNCCc1ccc(NC(=O)Cn2ncc3ccccc23)cc1)c1cccnc1 |r|
BDBM50313929 O[C@@H](CNCCc1ccc(NC(=O)Cn2cc3ccccc3n2)cc1)c1cccnc1 |r|
BDBM50313930 O[C@@H](CNCCc1ccc(NC(=O)Cn2nc3ccccc3n2)cc1)c1cccnc1 |r|
BDBM50313931 O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3o2)cc1)c1cccnc1 |r|
BDBM50313932 O[C@@H](CNCCc1ccc(NC(=O)Cn2cncn2)cc1)c1cccnc1 |r|
BDBM50313933 Nc1ncn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
BDBM50313934 Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
BDBM50313935 Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
BDBM50313936 O[C@@H](CNCCc1ccc(NC(=O)Cc2csc(n2)-c2ccccc2)cc1)c1cccnc1 |r|
BDBM50313937 Cc1csc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
BDBM50313938 O[C@@H](CNCCc1ccc(NC(=O)Cc2nc(cs2)-c2ccccc2)cc1)c1cccnc1 |r|
BDBM50313939 O[C@@H](CNCCc1ccc(NC(=O)Cc2nnc([nH]2)-c2ccccc2)cc1)c1cccnc1 |r|
BDBM50313940 Cc1nnc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)[nH]1 |r|
BDBM50313941 O[C@@H](CNCCc1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
BDBM50313942 O[C@@H](CNCCc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
BDBM50313943 O[C@@H](CNCCc1ccc(NC(=O)OCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
BDBM50313944 Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc12 |r|
BDBM50313945 O[C@@H](CNCCc1ccc(NC(=O)c2cccc3ccnn23)cc1)c1cccnc1 |r|
BDBM50313946 O[C@@H](CNCCc1ccc(NC(=O)Cn2ncc(c2-c2ccccc2)-c2ccccc2)cc1)c1cccnc1 |r|
BDBM50313947 O[C@@H](CNCCc1ccc(NC(=O)Cn2cccn2)cc1)c1cccnc1 |r|
BDBM50313948 Cc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
BDBM50313949 Cc1cc(C)n(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
BDBM50313950 O[C@@H](CNCCc1ccc(NC(=O)Cn2nc(cc2-c2ccccc2)-c2ccccc2)cc1)c1cccnc1 |r|
BDBM50313951 CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 |r|
BDBM50313952 CC(C)(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 |r|
BDBM50313953 CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1nc(C)cc1C |r|
BDBM50313954 CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1csc(N)n1 |r|
BDBM50313955 CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
BDBM50313956 Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(C)s1 |r|
BDBM50313957 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1 |r|
BDBM50313958 O[C@@H](CNCCc1ccc(NC(=O)c2cccc(c2)-c2ccccc2)cc1)c1cccnc1 |r|
BDBM50313959 O[C@@H](CNCCc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1)c1cccnc1 |r|
BDBM50313960 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2N2CCCC2)cc1)c1cccnc1 |r|
BDBM50313961 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1 |r|
BDBM50313962 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ncc[nH]2)cc1)c1cccnc1 |r|
BDBM50313963 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)cc1)c1cccnc1 |r|
BDBM50313964 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2C2CCCCC2)cc1)c1cccnc1 |r|
BDBM50313965 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ccco2)cc1)c1cccnc1 |r|
BDBM50313966 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCn2cccc2)cc1)c1cccnc1 |r|
BDBM50313967 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)c1cccnc1 |r|
BDBM50313968 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
BDBM50313969 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1)c1cccnc1 |r|
BDBM50313970 O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CCn3cccc3)c2)cc1)c1cccnc1 |r|
BDBM50313971 O[C@@H](CNCCc1ccc(NC(=O)c2cccc(c2)-c2ncc[nH]2)cc1)c1cccnc1 |r|
BDBM50313972 O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CCc3ccccc3)c2)cc1)c1cccnc1 |r|
BDBM50313973 O[C@@H](CNCCc1ccc(NC(=O)c2ccc(CCc3ccccc3)cc2)cc1)c1cccnc1 |r|
BDBM50313974 Cc1ccc(N2CCCC2)c(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
BDBM50313975 Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(c1)N1CCCC1 |r|
BDBM50338816 O[C@H]([C@@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r|
BDBM50338817 O[C@@H]([C@@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r|
BDBM50338818 O[C@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r|
BDBM50338814 O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1ccccc1 |r|
BDBM50338815 O[C@@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r|
BDBM50338819 O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r|
BDBM50338820 O[C@@H]([C@H]1CC[C@H](Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r|
BDBM50338821 Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r|
BDBM50337876 O[C@@H](CNCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50337877 O[C@@H](CNCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50337878 O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50337880 O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c(NC=O)c1 |r|
BDBM50337881 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50337882 NC(=O)C([C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1)(c1ccccc1)c1ccccc1 |r|
BDBM50337883 OC(CNCCCCCCCCCN1CCC(CC1)NC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50337885 C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:33:32:1:28.29.30,0:1:34.32:28.29.30,THB:35:29:1:34.32,2:1:34.32:28.29.30|
BDBM50337886 O[C@@H](CNCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50337103 C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r|
BDBM50343158 CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)ccc1O)C(C)C |r|
BDBM50343159 CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(O)c3)cc2)ccc1O)C(C)C |r|
BDBM50343160 CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C |r|
BDBM50343161 CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C |r|
BDBM50343152 CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(CO)c3)c2)ccc1O)C(C)C |r|
BDBM50343153 CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C |r|
BDBM50343154 CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O)c3cc(O)cc(O)c3)c2)ccc1O)C(C)C |r|
BDBM50343155 CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C |r|
BDBM50343156 CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)CCCCCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C |r|
BDBM50343157 CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1O)C(C)C |r|
BDBM50352110 COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1
BDBM50352111 COc1ccc2nc(-c3ccc(OCC(O)CNC(C)CF)cc3)n(C)c(=O)c2c1
BDBM50352112 COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 |r|
BDBM50354566 O[C@@H](CNCCCCCCCCCN1CCC(CC1)Oc1nn(c2CCCCc12)-c1c(O)cccc1F)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,(-3.94,-14.4,;-3.93,-15.94,;-2.6,-16.71,;-1.27,-15.93,;.07,-16.7,;1.4,-15.92,;2.74,-16.69,;4.07,-15.91,;5.41,-16.68,;6.74,-15.9,;8.07,-16.67,;9.4,-15.89,;10.74,-16.66,;12.07,-15.88,;13.4,-16.65,;14.72,-15.88,;14.73,-14.34,;13.39,-13.57,;12.05,-14.35,;16.06,-13.57,;16.06,-12.03,;14.64,-11.42,;14.79,-9.89,;16.3,-9.56,;17.05,-8.23,;18.58,-8.22,;19.36,-9.55,;18.6,-10.88,;17.07,-10.88,;13.45,-9.14,;12.14,-9.94,;12.18,-11.48,;10.79,-9.2,;10.76,-7.66,;12.08,-6.86,;13.43,-7.61,;14.75,-6.82,;-5.26,-16.72,;-6.6,-15.95,;-7.93,-16.72,;-7.93,-18.27,;-9.26,-19.04,;-6.59,-19.03,;-6.59,-20.56,;-5.26,-21.34,;-5.26,-22.88,;-3.93,-20.57,;-3.93,-19.03,;-5.26,-18.27,)|
BDBM50347779 CCOC(=O)c1oc2cccc(OC[C@@H](O)CNC(C)C)c2c1C |r|
BDBM50348426 CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM50348427 CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM50348428 C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM50348429 C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
BDBM50348430 COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
BDBM50348431 COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
BDBM50348432 OCc1cc(ccc1O)C(O)CNCCCCCCCCCCCc1ccccc1
BDBM50348759 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCCCC2CCSS2)c-31 |r|
BDBM50347780 CC(O)CNCCOc1ccccc1-c1ccccc1
BDBM50347781 CC(C)(C)NC[C@H](O)c1ccc2O[B-](O)(O)OCc2c1 |r|
BDBM50361247 CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 |r|
BDBM50372693 Cc1cc(ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)C(O)=O
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50366923 CCN(C)C1CCCc2ccncc12
BDBM50378061 O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 |r|
BDBM50378062 O[C@@H](CNCCc1ccc(cc1)N=C(NC#N)Nc1ccccc1)COc1ccccc1 |r,w:12.12|
BDBM50378063 O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 |r|
BDBM50378064 O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 |r|
BDBM50378065 O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 |r|
BDBM50378066 O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2[N+]([O-])=O)cc1)COc1ccccc1 |r|
BDBM50378067 O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(c2)[N+]([O-])=O)cc1)COc1ccccc1 |r|
BDBM50378068 O[C@H](CNCCc1ccc(cc1)S(=O)(=O)Nc1ccccc1)COc1ccccc1 |r|
BDBM50378069 O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 |r|
BDBM50378070 O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1 |r|
BDBM50378071 O[C@@H](CNCCc1ccc(NC(=O)Oc2ccccc2)cc1)COc1ccccc1 |r|
BDBM50378072 O[C@@H](CNCCc1ccc(NC(=O)Nc2ccccc2)cc1)COc1ccccc1
BDBM50378073 O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(cc2)[N+]([O-])=O)cc1)COc1ccccc1 |r|
BDBM50378074 COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
BDBM50378075 COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 |r|
BDBM50378076 COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 |r|
BDBM50378077 O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 |r|
BDBM50378146 CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N |r|
BDBM50378078 O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 |r|
BDBM50378079 O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 |r|
BDBM50378080 COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 |r|
BDBM50378081 NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 |r|
BDBM50378082 Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 |r|
BDBM50378709 CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1
BDBM50379086 CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 |r|
BDBM50370460 OC[C@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)NC[C@H](O)COc1ccccc1
BDBM50389824 CN(C)Cc1c(O)ccc2nc(C)[nH]c12
BDBM50389825 O=C1Cc2ccccc2Sc2c(OCCN3CCCCC3)cccc12
BDBM50389826 CC(C)c1ccc(C)cc1OCC(O)CN1CCN(CCO)CC1
BDBM50389827 Cc1ccc(C)c(OCC(O)CNC2CCCC2)c1
BDBM50389828 CC(C)c1ccc(C)cc1OCC(O)CN1CCCCC1
BDBM50389843 CN(C)Cc1c(O)ccc2oc(CSc3ccccc3)c(C(C)=O)c12
BDBM50407517 CC(C)NC[C@H](O)c1ccc(O)c(O)c1
BDBM50400738 C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r|
BDBM50400902 Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
BDBM50413480 NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 |r|
BDBM50413481 NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50413482 NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 |r|
BDBM50413483 CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50413484 NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 |r|
BDBM50413485 NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50413487 CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50413488 CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50413489 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)NC1CCCCC1 |r|
BDBM50413490 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)N1CCCCC1 |r|
BDBM50413491 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)N1CCOCC1 |r|
BDBM50413492 NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50413493 NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50413495 NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50413496 NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50416058 NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50416059 CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50416060 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl |r|
BDBM50416061 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1cc(Cl)ccc1Cl |r|
BDBM50416062 Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50416063 NS(=O)(=O)c1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 |r|
BDBM50416064 NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50416065 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1ccc(O)cc1 |r|
BDBM50416066 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1cccc(O)c1 |r|
BDBM50416067 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1cccc2ccccc12 |r|
BDBM50416068 OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 |r|
BDBM50416069 Cc1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 |r|
BDBM50416070 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1ccc(Cl)cc1 |r|
BDBM50416057 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1ccccc1 |r|
BDBM50412983 Clc1c(cnn(Cc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1=O)N1CCNCC1
BDBM50412984 Cc1ccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cc1NC(=O)c1ccc(cc1)-c1ccccc1
BDBM50412985 Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(cc1)-c1ccccc1
BDBM50412114 Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
BDBM50412131 Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
BDBM50412132 Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
BDBM50419693 Oc1ccc(CCNCCc2ccc(CN3CC[C@H](C3)Oc3ccc(Cl)cc3)cc2)c2sc(=O)[nH]c12 |r|
BDBM50419694 Oc1ccc(CCNCCc2cccc(CN[C@H]3C[C@@H]3c3ccccc3)c2)c2sc(=O)[nH]c12 |r|
BDBM50419695 CCN(Cc1ccncc1)Cc1cccc(c1)-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1
BDBM50419696 O[C@@H](CNCCc1cccc(CN2CCC(CC2)c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419697 O[C@@H](CNCCc1ccc(cc1)-c1cccc(CN2Cc3ccccc3C2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419698 C[C@@H](NCc1ccccc1-c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r|
BDBM50419699 O[C@@H](CNCCc1cccc(c1)-c1cccc(CNCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419700 O[C@@H](CNCCc1ccc(CNCCc2c(Cl)cccc2Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419701 O[C@@H](CNCCc1ccc(CNCCc2ccccc2F)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419702 O[C@@H](CNCCc1cccc(CNCCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419703 O[C@@H](CNCCc1cccc(CNCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419704 COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 |r|
BDBM50419705 O[C@@H](CNCCc1ccc(CN2CCCC2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419706 O[C@@H](CNCCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419707 Oc1ccc(CCNCCc2cccc(CN3CCC(CC3)c3ccccc3)c2)c2sc(=O)[nH]c12
BDBM50419708 Oc1ccc(CCNCCc2ccc(cc2)-c2cccc(CN3Cc4ccccc4C3)c2)c2sc(=O)[nH]c12
BDBM50419709 COc1ccccc1CCNCc1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1
BDBM50419710 Oc1ccc(CCNCCc2cccc(CNCCc3c(Cl)cccc3Cl)c2)c2sc(=O)[nH]c12
BDBM50419014 CC1(C)NC(=O)N(C1=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50419015 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O |r|
BDBM50419016 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(CN2C(=O)NC(=O)C2=O)c1 |r|
BDBM50419309 NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50419310 NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50419311 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(=O)NC2CCCC2)c1 |r|
BDBM50419005 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(Cn2c(O)c[nH]c2=O)c1 |r|
BDBM50419006 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(Cn2cc(O)[nH]c2=O)c1 |r|
BDBM50419007 NC(=O)Cn1c(O)cn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c1=O |r|
BDBM50419312 Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 |r|
BDBM50419313 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NC2CCCCC2)c1 |r|
BDBM50419314 NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50419315 CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50419316 CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 |r|
BDBM50419317 CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
BDBM50419319 NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(c1)C(F)(F)F |r|
BDBM50419008 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(=O)cc[nH]c1=O |r|
BDBM50419009 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1ccc(=O)[nH]c1=O |r|
BDBM50419010 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(O)=O)c1 |r|
BDBM50419011 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(O)c[nH]c1=O |r|
BDBM50418937 O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418938 O[C@@H](CNCCCOCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418939 O[C@@H](CNCCCOCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418940 CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50418941 O[C@@H](CNCCSCCCNCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418942 O[C@@H](CNCCCOCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418943 O[C@@H](CNCCCOCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418944 O[C@@H](CNCCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418945 O[C@@H](CNCCCSCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418946 O[C@@H](CNCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418947 CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 |r|
BDBM50418948 O[C@@H](CNCCCSCCNCCc1ccccc1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418949 O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418950 O[C@@H](CNCCOCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418951 O[C@@H](CNCCS(=O)CCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418952 O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418953 O[C@@H](CNCCSCCCNCCc1ccccc1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418954 O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418955 O[C@@H](CNCCS(=O)(=O)CCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418956 O[C@@H](CNCCSCCCNCCc1cccc(c1)C(F)(F)F)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418957 CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50418958 O[C@@H](CNCCCSCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50418830 Oc1ccc(CCNCCNC(=O)CCOCCc2ccccc2)c2sc(=O)[nH]c12
BDBM50418831 CN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
BDBM50418832 CN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 |r|
BDBM50418833 COc1ccc(CCNCCN(C)C(=O)CCOCCc2ccccc2)c2sc(=O)[nH]c12
BDBM50418834 CN(CCN(C)C(=O)CCOCCc1ccccc1)CCc1ccc(O)c2[nH]c(=O)sc12
BDBM50418835 CC(C)(CNCCc1ccc(O)c2[nH]c(=O)sc12)NC(=O)CCOCCc1ccccc1
BDBM50418836 CCCCN(CCN(C)CCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
BDBM50418837 CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
BDBM50418838 CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
BDBM50418839 CC(C)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
BDBM50418840 CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
BDBM50418841 CCCCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 |r|
BDBM50419627 OCc1cc(ccc1O)C(O)CNCCCCNCC(O)c1ccc(O)c(CO)c1
BDBM50419628 OCc1cc(ccc1O)C(O)CNCCCCCCNCC(O)c1ccc(O)c(CO)c1
BDBM50419629 OCc1cc(ccc1O)C(O)CNC1CCC(CC2CCC(CC2)NCC(O)c2ccc(O)c(CO)c2)CC1 |(.62,-15.28,;-.71,-14.51,;-.7,-12.97,;-2.02,-12.19,;-2.01,-10.66,;-.68,-9.89,;.65,-10.66,;.65,-12.2,;1.98,-12.98,;-3.35,-9.88,;-3.34,-8.34,;-4.68,-10.65,;-6.01,-9.87,;-7.35,-10.64,;-7.36,-12.18,;-8.69,-12.94,;-10.01,-12.16,;-11.35,-12.93,;-12.69,-12.16,;-14.02,-12.93,;-15.35,-12.17,;-15.35,-10.63,;-14.03,-9.85,;-12.69,-10.62,;-16.69,-9.86,;-18.02,-10.64,;-19.36,-9.87,;-19.37,-8.33,;-20.69,-10.65,;-22.03,-9.88,;-23.36,-10.66,;-23.36,-12.2,;-24.7,-12.97,;-22.03,-12.97,;-22.03,-14.51,;-23.36,-15.28,;-20.7,-12.2,;-10.02,-10.63,;-8.68,-9.86,)|
BDBM50419630 OCc1cc(ccc1O)C(O)CN[C@H]1CC[C@@H](CC1)NCC(O)c1ccc(O)c(CO)c1 |r,wU:13.13,wD:16.20,(24.71,-8.34,;23.38,-9.12,;23.39,-10.66,;22.07,-11.44,;22.08,-12.97,;23.41,-13.74,;24.74,-12.97,;24.74,-11.43,;26.07,-10.65,;20.75,-13.75,;20.75,-15.29,;19.41,-12.98,;18.08,-13.76,;16.74,-12.99,;15.41,-13.76,;14.08,-12.99,;14.07,-11.45,;15.41,-10.67,;16.74,-11.44,;12.73,-10.69,;11.4,-11.46,;10.07,-10.7,;10.06,-9.16,;8.74,-11.47,;7.4,-10.71,;6.07,-11.48,;6.07,-13.02,;4.74,-13.79,;7.4,-13.8,;7.4,-15.34,;6.07,-16.1,;8.74,-13.02,)|
BDBM50419631 OCc1cc(ccc1O)C(O)CNCC1CCCC(CNCC(O)c2ccc(O)c(CO)c2)C1
BDBM50419632 OCc1cc(ccc1O)C(O)CNCc1cccc(CNCC(O)c2ccc(O)c(CO)c2)c1
BDBM50419633 OCc1cc(ccc1O)C(O)CNCCc1ccc(CCNCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50419634 OCc1cc(ccc1O)C(O)CNCc1ccc(NCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50419635 OC(CNCCc1ccc(NCC(O)c2ccccc2)cc1)c1ccccc1
BDBM50419636 OCc1cc(ccc1O)C(O)CNCCc1ccc(NCC(O)c2ccccc2)cc1
BDBM50419637 OCc1cc(ccc1O)C(O)CNCCc1ccc(OCC(O)c2ccccc2)cc1
BDBM50419638 CC(C)(Cc1ccc(NCC(O)c2ccccc2)cc1)NCC(O)c1ccc(O)c(CO)c1
BDBM50419639 CN(CC(O)c1ccccc1)c1ccc(CCNCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50419640 OCc1cc(ccc1O)C(O)CNC1Cc2ccc(NCC(O)c3ccccc3)cc2C1
BDBM50419641 OCc1cc(ccc1O)C(O)CNCCc1ccc(NCC(O)c2ccc(Cl)cc2)cc1
BDBM50419642 OCc1cc(ccc1O)C(O)CNCCc1ccc(NCC(O)c2ccc(F)cc2)cc1
BDBM50419643 COc1ccc(C(O)CNc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c(OC)c1
BDBM50419644 COc1ccc(OC)c(c1)C(O)CNc1ccc(CCNCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50419645 OCc1cc(ccc1O)C(O)CNCCc1ccc(NCC(O)c2ccc(O)cc2)cc1
BDBM50419646 CC(C)(C)c1ccc(cc1)C(O)CNc1ccc(CCNCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50419647 CC(C)CCc1ccc(cc1)C(O)CNc1ccc(CCNCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50419648 OCc1cc(ccc1O)C(O)CNCCc1ccc(NCC(O)c2ccc(cc2)-c2ccccc2)cc1
BDBM50419649 OCc1cc(ccc1O)C(O)CNCCc1ccc(NCC(O)c2ccc3ccccc3c2)cc1
BDBM50419650 OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1 |r|
BDBM50419651 OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC[C@@H](O)c2ccccc2)cc1 |r|
BDBM50419652 O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c1ccc(O)c(NC=O)c1 |r|
BDBM50419653 O[C@@H](CNc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)c1ccccc1 |r|
BDBM50419654 Nc1c(Cl)cc(cc1Cl)[C@@H](O)CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1 |r|
BDBM50419655 OCc1cc(ccc1O)C(O)CNCc1ccc(CNCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50419656 Cc1ccc(cc1)C(O)CNc1ccc(CCNCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50419657 CC(C)(CNCC(O)c1ccc(O)c(CO)c1)CNCC(O)c1ccc(O)c(CO)c1
BDBM50419658 OCc1cc(ccc1O)C(O)CNCCc1ccc(NCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50419659 COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419660 COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419661 COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50419662 O[C@@H](CNCCc1cccc(CN2CCCC2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419663 CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419664 O[C@@H](CNCCOc1cccc(CNCCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419665 COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419666 OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(CNCCc2ccccc2)cc1 |r|
BDBM50419667 COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50419668 O[C@@H](CNCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419669 O[C@@H](CNCCc1cccc(CNCCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419670 O[C@@H](CNCCc1cccc(CNCCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419671 COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419672 COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50419673 O[C@@H](CNCCc1ccc(CNCCc2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419674 Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 |r|
BDBM50419675 Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 |r|
BDBM50419676 O[C@@H](CNCCc1ccc(CNCCc2ccccn2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419677 O[C@@H](CNCCc1ccccc1CNCCc1ccccc1F)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419678 CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r|
BDBM50419679 O[C@@H](CNCCc1cccc(CNCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419680 COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419681 COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50419682 O[C@@H](CNCCc1cccc(CNCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419683 O[C@@H](CNCCc1cccc(CNCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419684 COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 |r|
BDBM50419685 CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50419686 O[C@@H](CNCCc1cccc(CNCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50419687 C[C@@H](NCc1ccccc1-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r|
BDBM50419688 Oc1ccc(CCNCCc2cccc(c2)-c2cccc(CNCc3ccccc3)c2)c2sc(=O)[nH]c12
BDBM50419689 O[C@@H](CNCCc1cccc(CNCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50419690 Oc1ccc(CCNCCc2ccc(CNCCc3c(Cl)cccc3Cl)cc2)c2sc(=O)[nH]c12
BDBM50419691 Oc1ccc(CCNCCc2ccc(CNCCc3ccccc3F)cc2)c2sc(=O)[nH]c12
BDBM50419692 Oc1ccc(CCNCCc2ccc(CNCCc3ccccn3)cc2)c2sc(=O)[nH]c12
BDBM50419012 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccccc1-n1c(O)c[nH]c1=O |r,wU:9.10,(25.44,3.35,;26.77,4.12,;28.11,3.35,;29.44,4.12,;30.77,3.36,;30.78,1.81,;29.44,1.04,;28.1,1.81,;26.77,1.04,;32.1,4.13,;32.1,5.67,;33.44,3.37,;34.77,4.14,;36.11,3.38,;37.44,4.15,;38.77,3.39,;40.1,4.16,;41.44,3.4,;42.77,4.17,;44.11,3.41,;45.44,4.18,;46.77,3.42,;48.11,4.19,;49.44,3.43,;50.77,4.2,;50.76,5.74,;52.08,6.52,;53.43,5.75,;53.44,4.21,;52.11,3.44,;52.11,1.9,;50.87,.99,;49.41,1.46,;51.35,-.47,;52.89,-.47,;53.36,1,;54.83,1.48,)|
BDBM50419013 OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1ccc(cc1)-n1c(O)c[nH]c1=O |r|
BDBM50421323 CCc1cc2CC(Cc2cc1CC)NCC(O)c1c(C)cc(O)c2[nH]c(=O)ccc12
BDBM50421324 CCc1cc2CC(Cc2cc1CC)NCC(O)c1ccc(O)c2[nH]c(=O)c(C)cc12
BDBM50421325 CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2NC(=O)CCc12 |r|
BDBM50421326 CCc1cc2CC(Cc2cc1CC)NCCc1ccc(O)c2[nH]c(=O)ccc12
BDBM50421327 CCCCc1ccc2CC(Cc2c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50421328 Cc1c2CC(Cc2c(C)c(C)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50421329 CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50421330 CCC1=C(CC)CC2=C(CC(C2)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1 |r,c:2,t:7|
BDBM50421506 CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O
BDBM50432700 CC(C)NCC(O)c1ccc(N)c(c1)C#N
BDBM50432701 OC(CNCCNC(=O)Nc1cccc(Cl)c1)COc1ccc(OCCOC2CCCC2)cc1
BDBM50432702 OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(OCCOC2CCCC2)cc1
BDBM50432703 CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1
BDBM50432704 OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCCc2ccc(F)cc2)cc1
BDBM50432705 OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOC2CCCC2)cc1
BDBM50432706 OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1
BDBM50432707 OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
BDBM50422409 C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1
BDBM50422410 C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50422411 C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50421589 CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
BDBM50421590 CN(C)CC1CC2N(O1)c1ccccc1Cc1ncccc21
BDBM50423818 OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C |c:37,45,t:35|
BDBM50423819 OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C |c:31,39,t:29|
BDBM50423820 O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35|
BDBM50423821 O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:33,41,t:31|
BDBM50423822 OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12 |c:37,45,t:35|
BDBM50423823 OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12 |c:31,39,t:29|
BDBM50423824 O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C |r,c:37,45,t:35|
BDBM50423825 O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C |r,c:31,39,t:29|
BDBM50423826 OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |c:37,45,t:35|
BDBM50423827 O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35|
BDBM50423828 OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |c:31,39,t:29|
BDBM50423829 O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:31,39,t:29|
BDBM50448787 O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1 |r|
BDBM50448789 O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1 |r|
BDBM50010942 CCN(CC)CCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 |r|
BDBM50010962 CN(C)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
BDBM6387 CN(CCCCC(=O)Nc1cc(C)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM50010971 CN(C)CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
BDBM50010972 CC(C)N(C)CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1
BDBM50010973 CCN(C)CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1
BDBM50010975 Oc1ccc(CCNCCN(CCN2CCCCC2)C(=O)CCOCCc2cccc(Cl)c2)c2sc(=O)[nH]c12
BDBM50010977 CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccc2ccccc2c1
BDBM50010979 CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(OC)c1
BDBM50010941 CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
BDBM50010943 CCN(CC)CCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1 |r|
BDBM50010963 NCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
BDBM50010974 CN(CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1)C1CC1
BDBM50010976 Br.CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc2ccccc12
BDBM50010978 CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(F)c1
BDBM50010980 CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1
BDBM103822 C[C@@H](Cc1cccc(CCC(=O)NCc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50021888 CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 |r|
BDBM50021889 CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 |r|
BDBM50018958 [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
BDBM50019696 CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1
BDBM50018557 CSc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1
BDBM50018559 OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc(O)cc2)cc1
BDBM50018561 OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc(F)cc2)cc1
BDBM50018562 COC(=O)c1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1
BDBM50018563 CCOc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1
BDBM50018588 COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 |r|
BDBM50018590 OCc1cc(ccc1O)C(O)CNCCc1ccc(Br)cc1
BDBM50018592 OCc1cc(ccc1O)C(O)CNCCc1ccc(NCc2ccc3ccccc3c2)cc1
BDBM50018594 OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCC(Cc2ccccc2)CC1
BDBM50018596 OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCC(CC1)C(=O)c1ccccc1
BDBM50018598 COc1ccc(CN2CCN(CC2)c2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1
BDBM50018600 OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCC(CC1)NC(=O)Cc1ccccc1
BDBM50018602 OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc3ccccc3c2)cc1
BDBM50018603 COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1
BDBM50018604 OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2cccc3ccccc23)cc1
BDBM50018605 OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc3CCCc3c2)cc1
BDBM50018607 OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2cccc(c2)-c2ccccc2)cc1
BDBM50018609 COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1
BDBM50018558 CC(C)Oc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1
BDBM50018587 COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 |r|
BDBM50018589 COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 |r|
BDBM50018591 OCc1cc(ccc1O)C(O)CNCCc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
BDBM50018593 OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCC(CC1)c1ccccc1
BDBM50018595 OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCC(CCCc2ccccc2)CC1
BDBM50018597 OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCN(CC1)c1ccccc1
BDBM50018599 CC(=O)N1CCN(CC1)c1ccc(CCNCC(O)c2ccc(O)c(CO)c2)cc1
BDBM50021864 COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN |r|
BDBM50021865 COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 |r|
BDBM50018601 OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc(Oc3ccccc3)cc2)cc1
BDBM50018606 OCc1cc(ccc1O)C(O)CNCCc1ccc(Nc2ccc(cc2)-c2ccccc2)cc1
BDBM50018608 COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1
BDBM50021866 COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 |r|
BDBM50021867 CCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r|
BDBM50021868 NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r|
BDBM50021869 NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r|
BDBM50021873 NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r|
BDBM50021875 NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r|
BDBM50021877 CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r|
BDBM50021881 O[C@@H](CNCCc1ccc(Nc2ccc(OCCNC(=O)c3ccccc3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50021882 O[C@@H](CNCCc1ccc(Nc2ccc(OCCN3CCOCC3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50021883 CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 |r|
BDBM50021884 O[C@@H](CNCCc1ccc(Nc2ccc(OCCN3CCNCC3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50021885 CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 |r|
BDBM50026626 CC(C)(C)NC[C@H](O)c1ccc2O[B-](O)(O)[OH+]Cc2c1 |r|
BDBM50084436 Cc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM50084437 COc1cc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084439 COc1cc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084440 O[C@@H](CNCc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1Cl)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084442 O[C@@H](CNCc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084425 COc1cc(ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)N(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM50084426 COc1cc(N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084428 Cc1cc(C(=O)NCCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084429 COc1cc(ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)NCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM50084443 O[C@@H](CNCc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084422 COc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1NC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM50084423 O[C@@H](CNCCc1cccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084421 COc1ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084431 O[C@@H](CNC[C@H]1CC[C@@H](CC1)NC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:5.4,wD:1.0,8.11,(.27,-3.7,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4.01,-6.16,;4.01,-7.7,;5.35,-8.47,;5.35,-10.01,;4.01,-10.78,;2.68,-10.01,;2.68,-8.47,;4.01,-12.32,;5.35,-13.09,;6.42,-12.47,;5.35,-14.63,;6.69,-15.4,;6.69,-16.94,;8.03,-17.71,;8.03,-19.25,;6.69,-20.02,;5.36,-19.25,;5.36,-17.71,;6.69,-21.56,;5.35,-22.33,;4.29,-21.71,;5.35,-23.87,;4.02,-24.64,;2.68,-23.86,;1.35,-24.63,;1.34,-26.17,;2.67,-26.94,;4.01,-26.18,;5.34,-26.95,;6.68,-26.19,;8.01,-26.96,;8,-28.5,;6.66,-29.27,;5.33,-28.49,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;1.33,2.77,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;-2.68,-.77,;-1.33,-1.54,;,-.77,)|
BDBM50084432 O[C@@H](CNCCCCCNC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084433 COc1cc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084434 COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1C |r|
BDBM50084435 Cc1cc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50026625 CC(C)(C)NC[C@H](O)c1ccc2O[B-](O)([OH+]Cc2c1)c1ccccc1 |r|
BDBM50027869 OC(CNCCNC(=O)Nc1ccccc1F)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027870 COc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1
BDBM50027871 COc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1
BDBM50027872 COc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027873 Cc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1
BDBM50027874 OC(CNCCNC(=O)Nc1ccccc1Br)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027875 OC(CNCCNC(=O)Nc1ccc(Cl)cc1)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027876 OC(CNCCNC(=O)Nc1ccccc1Cl)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027877 OC(CNCCNC(=O)Nc1ccc(F)cc1)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027878 OC(CNCCNC(=O)Nc1cccc(F)c1)COc1ccc(OCCOC2CCCC2)cc1
BDBM50055251 O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50055258 Cc1cccc(c1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50027809 C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027810 C[C@H](CNc1cccc(CC(O)=O)c1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027811 C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027812 C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027813 C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027814 C[C@H](CNc1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027816 C[C@H](CNc1ccc(CC(=O)NCc2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027817 C[C@H](CNc1ccc(CNC(C)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027818 C[C@H](CNc1cccc(CCS(=O)(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027819 C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027821 C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027822 C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50027823 C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
BDBM50044849 COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
BDBM175238 OC(CNCC(=O)N1CCCC1C#N)COc1ccccc1
BDBM50027815 C[C@H](CNc1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
BDBM50055246 CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50084424 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C |r|
BDBM50084427 CN(CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)C(=O)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r|
BDBM50084430 O[C@@H](CNCc1ccc(cc1)C(=O)NCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50084438 COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1Cl |r|
BDBM50084441 COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM50027852 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50027880 OC(CNCCNC(=O)Nc1ccc(cc1)C(F)(F)F)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027881 OC(CNCCNC(=O)Nc1cccc(c1)C(F)(F)F)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027882 OC(CNCCNC(=O)Nc1ccccc1C(F)(F)F)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027883 OC(CNCCNC(=O)Nc1ccc(Br)cc1)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027884 OC(CNCCNC(=O)Nc1cccc(Br)c1)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027885 Cc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1
BDBM50027887 Cc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027888 OC(CNCCNC(=O)Nc1cccc(O)c1)COc1ccc(OCCOC2CCCC2)cc1
BDBM50027889 OC(CNCCNC(=O)Nc1ccccc1O)COc1ccc(OCCOC2CCCC2)cc1
BDBM50055243 CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50055245 CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50055249 CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50055250 O[C@@H](CN[C@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50055252 CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50055253 O[C@@H](CN[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50055254 CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
BDBM50055255 CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
BDBM50055256 CCc1cccc(c1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50055260 O[C@@H](CN[C@@H]1CCC[C@@H]1CCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50055262 O[C@@H](CN[C@H]1CCC[C@H]1C1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50055263 O[C@@H](CN[C@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50055264 Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C |r|
BDBM50055266 CCOc1cccc(c1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50055257 Cc1ccc(cc1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50055259 Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
BDBM50108088 CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM50108090 CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CC1 |r|
BDBM221906 CN(CCC(=O)Nc1cc(F)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1F)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:15.15,35.41,wD:32.34,(4.61,5.39,;4.61,3.85,;3.27,3.08,;1.94,3.85,;.61,3.08,;.61,1.54,;-.73,3.85,;-2.06,3.08,;-2.06,1.54,;-3.39,.77,;-3.39,-.77,;-4.73,1.54,;-6.06,.77,;-7.39,1.54,;-8.73,.77,;-10.06,1.54,;-10.06,3.08,;-11.4,.77,;-12.73,1.54,;-14.06,.77,;-14.06,-.77,;-15.4,-1.54,;-12.73,-1.54,;-12.73,-3.08,;-11.4,-3.85,;-11.4,-5.39,;-10.06,-3.08,;-10.06,-1.54,;-11.4,-.77,;-4.73,3.08,;-3.39,3.85,;-3.39,5.39,;5.94,3.08,;5.94,1.54,;7.28,.77,;8.61,1.54,;8.61,3.08,;7.28,3.85,;9.94,.77,;11.28,1.54,;11.28,3.08,;12.61,.77,;13.94,,;13.38,2.1,;12.9,3.57,;14.15,4.47,;15.4,3.57,;14.92,2.1,;11.84,-.56,;10.38,-1.04,;10.38,-2.58,;11.84,-3.06,;12.75,-1.81,)|
BDBM221907 COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,15.18,wD:12.11,(-4.06,3.86,;-2.73,3.09,;-2.73,1.55,;-1.39,.78,;-1.39,-.76,;-.06,-1.53,;1.27,-.76,;1.27,.78,;2.61,-1.53,;3.94,-.76,;5.28,-1.53,;5.28,-3.07,;6.61,-.76,;7.94,-1.53,;9.28,-.76,;9.28,.78,;7.94,1.55,;6.61,.78,;10.61,1.55,;11.94,.78,;11.94,-.76,;13.28,1.55,;14.61,2.32,;14.05,.22,;13.57,-1.25,;14.82,-2.15,;16.06,-1.25,;15.59,.22,;12.51,2.89,;13.41,4.13,;12.51,5.38,;11.04,4.9,;11.04,3.36,;-2.73,-1.53,;-2.73,-3.07,;-4.06,-.76,;-4.06,.78,;-5.39,1.55,;-6.73,.78,;-8.06,1.55,;-9.39,.78,;-10.73,1.55,;-10.73,3.09,;-12.06,.78,;-13.4,1.55,;-14.73,.78,;-14.73,-.76,;-16.06,-1.53,;-13.4,-1.53,;-13.4,-3.07,;-12.06,-3.84,;-12.06,-5.38,;-10.73,-3.07,;-10.73,-1.53,;-12.06,-.76,)|
BDBM221908 COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C#N |r,wU:40.44,16.19,wD:13.12,(-5.39,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;-.06,-.76,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;5.28,-.76,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,;-4.06,3.09,;-4.06,4.63,)|
BDBM221898 CN(CCCCCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:13.13,30.35,(5.28,4.23,;5.28,2.69,;3.94,1.93,;2.61,2.69,;1.27,1.93,;-.06,2.69,;-1.39,1.93,;-2.73,2.69,;-4.06,1.93,;-5.39,2.69,;-6.73,1.93,;-8.06,2.69,;-9.39,1.93,;-10.73,2.69,;-10.73,4.23,;-12.06,1.93,;-13.4,2.69,;-14.73,1.93,;-14.73,.38,;-16.06,-.38,;-13.4,-.38,;-13.4,-1.93,;-12.06,-2.69,;-12.06,-4.23,;-10.73,-1.93,;-10.73,-.38,;-12.06,.38,;6.61,1.93,;6.61,.38,;7.94,-.38,;9.28,.38,;9.28,1.93,;7.94,2.69,;10.61,-.38,;11.94,.38,;11.94,1.93,;13.28,-.38,;14.61,-1.15,;12.51,-1.72,;10.97,-1.72,;10.49,-3.18,;11.74,-4.09,;12.98,-3.18,;14.05,.95,;15.59,.95,;16.06,2.41,;14.82,3.32,;13.57,2.41,)|
BDBM221899 CN(CCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:13.13,32.38,(4.61,3.07,;4.61,1.53,;3.27,.76,;1.94,1.53,;.61,.76,;-.73,1.53,;-2.06,.76,;-3.39,1.53,;-3.39,3.07,;-4.73,3.84,;-6.06,3.07,;-7.39,3.84,;-8.73,3.07,;-10.06,3.84,;-10.06,5.38,;-11.4,3.07,;-12.73,3.84,;-14.06,3.07,;-14.06,1.53,;-15.4,.76,;-12.73,.76,;-12.73,-.78,;-11.4,-1.55,;-11.4,-3.09,;-10.06,-.78,;-10.06,.76,;-11.4,1.53,;-2.06,3.84,;-.73,3.07,;5.94,.76,;5.94,-.78,;7.28,-1.55,;8.61,-.78,;8.61,.76,;7.28,1.53,;9.94,-1.55,;11.28,-.78,;11.28,.76,;12.61,-1.55,;13.94,-2.32,;13.38,-.22,;14.92,-.22,;15.4,1.25,;14.15,2.15,;12.9,1.25,;11.84,-2.89,;10.38,-3.36,;10.38,-4.9,;11.84,-5.38,;12.75,-4.13,)|
BDBM221912 COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,16.19,22.30,wD:13.12,22.23,(-5.85,-3.78,;-4.52,-3.01,;-4.52,-1.47,;-3.19,-.7,;-3.19,.84,;-1.85,1.61,;-.52,.84,;-.52,-.7,;.82,1.61,;2.15,.84,;3.48,1.61,;4.82,.84,;4.82,-.7,;6.15,1.61,;7.48,.84,;8.82,1.61,;8.82,3.15,;7.48,3.92,;6.15,3.15,;10.15,3.92,;11.49,3.15,;11.49,1.61,;12.82,3.92,;14.15,4.69,;12.05,5.26,;12.52,6.72,;11.28,7.63,;10.03,6.72,;10.51,5.26,;14.15,3.15,;14.15,1.61,;15.62,1.14,;16.52,2.38,;15.62,3.63,;-4.52,1.61,;-4.52,3.15,;-5.85,.84,;-5.85,-.7,;-7.19,-1.47,;-8.52,-.7,;-9.85,-1.47,;-11.19,-.7,;-11.19,.84,;-12.52,-1.47,;-13.85,-.7,;-15.19,-1.47,;-15.19,-3.01,;-16.52,-3.78,;-13.85,-3.78,;-13.85,-5.32,;-12.52,-6.09,;-12.52,-7.63,;-11.19,-5.32,;-11.19,-3.78,;-12.52,-3.01,)|
BDBM50108094 Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM221900 COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-7.85,3.08,;-6.52,3.85,;-5.19,3.08,;-3.85,3.85,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;.15,1.54,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;5.48,1.54,;6.82,.77,;8.15,1.54,;8.15,3.08,;6.82,3.85,;9.48,.77,;10.82,1.54,;10.82,3.08,;12.15,.77,;13.49,,;12.15,-.77,;10.91,-1.68,;11.38,-3.14,;12.92,-3.14,;13.4,-1.68,;13.49,1.54,;14.95,1.06,;15.86,2.31,;14.95,3.56,;13.49,3.08,;-2.52,1.54,;-1.18,.77,;-3.85,.77,;-5.19,1.54,;-6.52,.77,;-7.85,1.54,;-9.19,.77,;-10.52,1.54,;-10.52,3.08,;-11.85,.77,;-13.19,1.54,;-14.52,.77,;-14.52,-.77,;-15.86,-1.54,;-13.19,-1.54,;-13.19,-3.08,;-11.85,-3.85,;-11.85,-5.39,;-10.52,-3.08,;-10.52,-1.54,;-11.85,-.77,)|
BDBM50108099 CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM221901 CN(CCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1Cl)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:14.14,34.40,wD:31.33,(4.15,5.39,;4.15,3.85,;2.82,3.08,;1.48,3.85,;.15,3.08,;.15,1.54,;-1.18,3.85,;-2.52,3.08,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-6.52,.77,;-7.85,1.54,;-9.19,.77,;-10.52,1.54,;-10.52,3.08,;-11.85,.77,;-13.19,1.54,;-14.52,.77,;-14.52,-.77,;-15.86,-1.54,;-13.19,-1.54,;-13.19,-3.08,;-11.85,-3.85,;-11.85,-5.39,;-10.52,-3.08,;-10.52,-1.54,;-11.85,-.77,;-5.19,3.08,;-3.85,3.85,;-3.85,5.39,;5.48,3.08,;5.48,1.54,;6.82,.77,;8.15,1.54,;8.15,3.08,;6.82,3.85,;9.48,.77,;10.82,1.54,;10.82,3.08,;12.15,.77,;13.49,,;12.15,-.77,;13.4,-1.68,;12.92,-3.14,;11.38,-3.14,;10.91,-1.68,;13.49,1.54,;14.95,1.06,;15.86,2.31,;14.95,3.56,;13.49,3.08,)|
BDBM221902 COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,13.12,wD:16.19,(-5.85,-3.32,;-4.52,-2.55,;-4.52,-1.01,;-3.19,-.24,;-3.19,1.3,;-1.85,2.07,;-.52,1.3,;-.52,-.24,;.82,2.07,;2.15,1.3,;3.48,2.07,;4.82,1.3,;4.82,-.24,;6.15,2.07,;6.15,3.61,;7.48,4.38,;8.82,3.61,;8.82,2.07,;7.48,1.3,;10.15,4.38,;11.49,3.61,;11.49,2.07,;12.82,4.38,;12.05,5.72,;13.59,3.05,;15.13,3.05,;15.6,1.58,;14.36,.68,;13.11,1.58,;14.15,5.15,;14.15,6.69,;15.62,7.17,;16.52,5.92,;15.62,4.68,;-4.52,2.07,;-4.52,3.61,;-5.85,1.3,;-5.85,-.24,;-7.19,-1.01,;-8.52,-.24,;-9.85,-1.01,;-11.19,-.24,;-11.19,1.3,;-12.52,-1.01,;-13.85,-.24,;-15.19,-1.01,;-15.19,-2.55,;-16.52,-3.32,;-13.85,-3.32,;-13.85,-4.86,;-12.52,-5.63,;-12.52,-7.17,;-11.19,-4.86,;-11.19,-3.32,;-12.52,-2.55,)|
BDBM221909 COc1cc(OCCCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-5.39,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;5.28,-.76,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-4.06,3.09,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,)|
BDBM221903 COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@](C)(CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,15.19,wD:12.11,15.15,(-4.73,-1.54,;-3.39,-.77,;-3.39,.77,;-2.06,1.54,;-2.06,3.08,;-.73,3.85,;.61,3.08,;.61,1.54,;1.94,3.85,;3.27,3.08,;4.61,3.85,;4.61,5.39,;5.94,3.08,;5.94,1.54,;7.28,.77,;8.61,1.54,;9.94,2.31,;8.61,3.08,;7.28,3.85,;9.94,.77,;11.28,1.54,;11.28,3.08,;12.61,.77,;13.94,,;13.38,2.1,;12.9,3.57,;14.15,4.47,;15.4,3.57,;14.92,2.1,;11.84,-.56,;10.38,-1.04,;10.38,-2.58,;11.84,-3.06,;12.75,-1.81,;-3.39,3.85,;-3.39,5.39,;-4.73,3.08,;-4.73,1.54,;-6.06,.77,;-7.39,1.54,;-8.73,.77,;-10.06,1.54,;-10.06,3.08,;-11.4,.77,;-12.73,1.54,;-14.06,.77,;-14.06,-.77,;-15.4,-1.54,;-12.73,-1.54,;-12.73,-3.08,;-11.4,-3.85,;-11.4,-5.39,;-10.06,-3.08,;-10.06,-1.54,;-11.4,-.77,)|
BDBM221904 COc1cc(NC(=O)CCCN[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-5.39,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;-.06,-.76,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-4.06,3.09,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,)|
BDBM221905 COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-2.06,-1.54,;-3.39,-.77,;-3.39,.77,;-2.06,1.54,;-2.06,3.08,;-.73,3.85,;.61,3.08,;.61,1.54,;1.94,3.85,;3.27,3.08,;4.61,3.85,;4.61,5.39,;5.94,3.08,;5.94,1.54,;7.28,.77,;8.61,1.54,;8.61,3.08,;7.28,3.85,;9.94,.77,;11.28,1.54,;11.28,3.08,;12.61,.77,;13.94,,;13.38,2.1,;12.9,3.57,;14.15,4.47,;15.4,3.57,;14.92,2.1,;11.84,-.56,;10.38,-1.04,;10.38,-2.58,;11.84,-3.06,;12.75,-1.81,;-3.39,3.85,;-3.39,5.39,;-4.73,3.08,;-4.73,1.54,;-6.06,.77,;-7.39,1.54,;-8.73,.77,;-10.06,1.54,;-10.06,3.08,;-11.4,.77,;-12.73,1.54,;-14.06,.77,;-14.06,-.77,;-15.4,-1.54,;-12.73,-1.54,;-12.73,-3.08,;-11.4,-3.85,;-11.4,-5.39,;-10.06,-3.08,;-10.06,-1.54,;-11.4,-.77,)|
BDBM221910 COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2NC(=O)COc12 |r,wU:41.45,16.19,wD:13.12,(-2.73,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;-.06,-.76,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;5.28,-.76,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-4.06,3.09,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,)|
BDBM221911 COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.46,16.19,22.22,wD:13.12,22.23,(-6.31,-3.88,;-4.98,-3.11,;-4.98,-1.57,;-3.64,-.8,;-3.64,.74,;-2.31,1.51,;-.98,.74,;-.98,-.8,;.36,1.51,;1.69,.74,;3.02,1.51,;4.36,.74,;4.36,-.8,;5.69,1.51,;7.03,.74,;8.36,1.51,;8.36,3.05,;7.03,3.82,;5.69,3.05,;9.69,3.82,;11.03,3.05,;11.03,1.51,;12.36,3.82,;13.13,2.49,;12.36,5.36,;13.61,6.27,;13.13,7.73,;11.59,7.73,;11.11,6.27,;13.9,3.82,;14.67,2.49,;16.21,2.49,;16.98,3.82,;16.21,5.15,;14.67,5.15,;-4.98,1.51,;-4.98,3.05,;-6.31,.74,;-6.31,-.8,;-7.64,-1.57,;-8.98,-.8,;-10.31,-1.57,;-11.65,-.8,;-11.65,.74,;-12.98,-1.57,;-14.31,-.8,;-15.65,-1.57,;-15.65,-3.11,;-16.98,-3.88,;-14.31,-3.88,;-14.31,-5.42,;-12.98,-6.19,;-12.98,-7.73,;-11.65,-5.42,;-11.65,-3.88,;-12.98,-3.11,)|
BDBM6440 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cc(ccc1C)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r|
BDBM50128830 O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccc(O)c(Cl)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50128832 O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)C(O)(c3ccccc3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50128834 O[C@@H](CNCCCCCCCCCN1CCC(Cn2cnc(n2)[C@@](O)(C2CCCCC2)c2ccccc2)CC1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50128835 O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)[C@@](O)(C3CCCCC3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM200741 CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2oc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:35.42,wD:13.13,32.35,(1.12,5.55,;2.62,5.23,;3.1,3.77,;2.07,2.62,;2.54,1.16,;1.51,.02,;1.83,-1.49,;3.17,-2.26,;3.17,-3.8,;1.83,-4.57,;1.83,-6.11,;3.17,-6.88,;3.17,-8.42,;4.5,-9.19,;5.84,-8.42,;4.5,-10.73,;3.17,-11.5,;3.17,-13.04,;4.5,-13.81,;4.5,-15.35,;5.84,-13.04,;7.17,-13.81,;8.5,-13.04,;9.84,-13.81,;8.5,-11.5,;7.17,-10.73,;5.84,-11.5,;.5,-3.8,;.5,-2.26,;-.64,-1.23,;-.02,.18,;-.79,1.51,;3.65,6.38,;5.16,6.06,;6.19,7.2,;5.71,8.67,;4.21,8.99,;3.18,7.84,;6.75,9.81,;6.27,11.28,;4.76,11.6,;7.3,12.42,;8.44,11.39,;8.33,13.56,;8.01,15.07,;9.34,15.84,;10.49,14.81,;9.86,13.4,;6.16,13.45,;4.65,13.13,;3.88,14.46,;4.91,15.61,;6.32,14.98,)|
BDBM50128831 O[C@@H](CNCCCCCCCCCN1CCC(Cn2cnc(n2)C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM200742 CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2[nH]c1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:35.42,wD:13.13,32.35,(6.74,6.38,;5.23,6.06,;4.76,4.59,;5.79,3.45,;5.31,1.99,;6.34,.84,;6.02,-.67,;4.69,-1.44,;4.69,-2.98,;6.02,-3.75,;6.02,-5.29,;7.36,-6.06,;7.36,-7.6,;8.69,-8.37,;10.02,-7.6,;8.69,-9.91,;7.36,-10.68,;7.36,-12.22,;8.69,-12.99,;8.69,-14.53,;10.02,-12.22,;11.36,-12.99,;12.69,-12.22,;14.03,-12.99,;12.69,-10.68,;11.36,-9.91,;10.02,-10.68,;7.36,-2.98,;7.36,-1.44,;8.5,-.4,;7.88,1,;8.65,2.34,;4.2,7.2,;4.68,8.67,;3.65,9.81,;2.14,9.49,;1.67,8.03,;2.7,6.88,;1.11,10.64,;-.39,10.32,;-.87,8.85,;-1.42,11.46,;-.28,12.49,;-2.45,12.61,;-3.99,12.44,;-4.61,13.85,;-3.47,14.88,;-2.13,14.11,;-2.57,10.43,;-2.41,8.9,;-3.81,8.27,;-4.84,9.42,;-4.07,10.75,)|
BDBM200743 CN(CCCn1ccc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:34.41,wD:14.14,31.34,(6.72,6.42,;5.21,6.1,;4.73,4.64,;5.76,3.5,;5.29,2.03,;6.32,.89,;7.85,1.05,;8.48,-.36,;7.33,-1.39,;7.33,-2.93,;6,-3.7,;6,-5.24,;7.33,-6.01,;7.33,-7.55,;8.67,-8.32,;10,-7.55,;8.67,-9.86,;7.33,-10.63,;7.33,-12.17,;8.67,-12.94,;8.67,-14.48,;10,-12.17,;11.33,-12.94,;12.67,-12.17,;14,-12.94,;12.67,-10.63,;11.33,-9.86,;10,-10.63,;4.67,-2.93,;4.67,-1.39,;6,-.62,;4.18,7.25,;4.66,8.71,;3.62,9.86,;2.12,9.54,;1.64,8.07,;2.67,6.93,;1.09,10.68,;-.42,10.36,;-.89,8.9,;-1.45,11.51,;-.3,12.54,;-2.48,12.65,;-4.01,12.49,;-4.64,13.9,;-3.49,14.93,;-2.16,14.16,;-2.59,10.48,;-2.43,8.94,;-3.84,8.32,;-4.87,9.46,;-4.1,10.8,)|
BDBM200744 CN(CCCc1nc(no1)-c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:36.43,wD:17.18,33.36,(6.52,7.15,;4.99,6.98,;4.37,5.58,;5.27,4.33,;4.65,2.92,;5.55,1.68,;5.07,.21,;6.32,-.69,;7.57,.21,;7.09,1.68,;6.32,-2.23,;7.65,-3,;7.65,-4.54,;6.32,-5.31,;6.32,-6.85,;7.65,-7.62,;7.65,-9.16,;8.99,-9.93,;10.32,-9.16,;8.99,-11.47,;7.65,-12.24,;7.65,-13.78,;8.99,-14.55,;8.99,-16.09,;10.32,-13.78,;11.66,-14.55,;12.99,-13.78,;14.32,-14.55,;12.99,-12.24,;11.66,-11.47,;10.32,-12.24,;4.99,-4.54,;4.99,-3,;4.09,8.23,;4.71,9.64,;3.81,10.88,;2.28,10.72,;1.65,9.31,;2.56,8.07,;1.37,11.97,;-.16,11.81,;-.79,10.4,;-1.06,13.05,;.18,13.96,;-1.97,14.3,;-3.51,14.3,;-3.99,15.76,;-2.74,16.67,;-1.49,15.76,;-2.31,12.15,;-2.31,10.61,;-3.77,10.13,;-4.68,11.38,;-3.77,12.62,)|
BDBM200745 CN(CCN(C)C(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(C([O-])=O)(c1cccs1)c1cccs1 |wU:36.42,wD:17.17,33.35,(.89,-8.55,;.39,-10.01,;-1.12,-10.3,;-2.13,-9.14,;-3.64,-9.43,;-4.15,-10.88,;-4.65,-8.26,;-4.15,-6.81,;-6.16,-8.55,;-6.67,-10.01,;-8.18,-10.3,;-9.19,-9.14,;-10.7,-9.43,;-11.21,-10.88,;-12.72,-11.17,;-13.22,-12.63,;-14.73,-12.92,;-15.24,-14.38,;-14.23,-15.54,;-16.75,-14.67,;-17.76,-13.5,;-19.27,-13.79,;-19.77,-15.25,;-21.29,-15.54,;-18.77,-16.41,;-19.27,-17.87,;-18.26,-19.03,;-18.77,-20.49,;-16.75,-18.74,;-16.25,-17.29,;-17.25,-16.12,;-10.2,-12.05,;-8.68,-11.76,;1.4,-11.17,;.89,-12.63,;1.9,-13.79,;3.41,-13.5,;3.92,-12.05,;2.91,-10.88,;4.42,-14.67,;5.93,-14.38,;5.64,-12.86,;4.76,-11.6,;6.81,-11.86,;6.22,-15.89,;7.62,-16.54,;7.43,-18.07,;5.92,-18.36,;5.17,-17.01,;7.45,-14.08,;8.1,-12.69,;9.63,-12.88,;9.92,-14.39,;8.57,-15.14,)|
BDBM200746 CN(CCNC(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:35.41,wD:16.16,32.34,(5.24,5.56,;5.24,4.02,;6.58,3.25,;7.91,4.02,;9.25,3.25,;10.58,4.02,;10.58,5.56,;11.91,3.25,;13.25,4.02,;14.58,3.25,;15.91,4.02,;17.25,3.25,;17.25,1.71,;18.58,.94,;19.91,1.71,;21.25,.94,;22.58,1.71,;22.58,3.25,;23.92,.94,;23.92,-.6,;25.25,-1.37,;26.58,-.6,;27.92,-1.37,;26.58,.94,;27.92,1.71,;27.92,3.25,;29.25,4.02,;26.58,4.02,;25.25,3.25,;25.25,1.71,;15.91,.94,;14.58,1.71,;3.91,3.25,;2.58,4.02,;1.24,3.25,;1.24,1.71,;2.58,.94,;3.91,1.71,;-.09,.94,;-.09,-.6,;1.24,-1.37,;-1.42,-1.37,;-2.19,-.03,;-2.76,-2.14,;-2.92,-3.67,;-4.43,-3.99,;-5.2,-2.66,;-4.16,-1.51,;-.65,-2.7,;.88,-2.86,;1.2,-4.37,;-.14,-5.14,;-1.28,-4.11,)|
BDBM200747 COc1cc(-c2noc(CCCN(C)[C@H]3CC[C@@H](CC3)OC(=O)C(O)(c3cccs3)c3cccs3)n2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |wU:17.20,wD:43.48,14.13,(3.51,-4.33,;4.85,-5.1,;6.18,-4.33,;6.18,-2.79,;7.51,-2.02,;7.51,-.48,;8.76,.43,;8.28,1.89,;6.74,1.89,;5.84,3.14,;6.46,4.54,;5.56,5.79,;6.18,7.2,;7.72,7.36,;5.28,8.44,;5.91,9.85,;5,11.09,;3.47,10.93,;2.84,9.53,;3.75,8.28,;2.56,12.18,;1.03,12.02,;.41,10.61,;.13,13.26,;1.37,14.17,;-.78,14.51,;-2.32,14.51,;-2.79,15.98,;-1.55,16.88,;-.3,15.98,;-1.12,12.36,;-1.12,10.82,;-2.58,10.34,;-3.49,11.59,;-2.58,12.84,;6.27,.43,;8.85,-2.79,;10.18,-2.02,;8.85,-4.33,;7.51,-5.1,;7.51,-6.64,;8.85,-7.41,;8.85,-8.95,;10.18,-9.72,;11.51,-8.95,;10.18,-11.26,;8.85,-12.03,;8.85,-13.57,;10.18,-14.34,;10.18,-15.88,;11.51,-13.57,;12.85,-14.34,;14.18,-13.57,;15.51,-14.34,;14.18,-12.03,;12.85,-11.26,;11.51,-12.03,)|
BDBM200748 COc1cc(OCC(=O)N(C)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |wU:18.21,wD:43.47,15.14,(14.69,-1.46,;16.03,-.69,;16.03,.85,;14.69,1.62,;14.69,3.16,;13.36,3.93,;12.03,3.16,;10.69,3.93,;10.69,5.47,;9.36,3.16,;9.36,1.62,;8.02,3.93,;6.69,3.16,;5.36,3.93,;5.36,5.47,;4.02,3.16,;2.69,3.93,;1.36,3.16,;1.36,1.62,;2.69,.85,;4.02,1.62,;.02,.85,;.02,-.69,;1.36,-1.46,;-1.31,-1.46,;-2.08,-.13,;-2.65,-2.23,;-2.81,-3.76,;-4.31,-4.08,;-5.08,-2.75,;-4.05,-1.6,;-.54,-2.79,;.99,-2.96,;1.31,-4.46,;-.02,-5.23,;-1.17,-4.2,;16.03,3.93,;16.03,5.47,;17.36,3.16,;17.36,1.62,;18.69,.85,;20.03,1.62,;21.36,.85,;22.69,1.62,;22.69,3.16,;24.03,.85,;24.03,-.69,;25.36,-1.46,;26.7,-.69,;28.03,-1.46,;26.7,.85,;28.03,1.62,;28.03,3.16,;29.36,3.93,;26.7,3.93,;25.36,3.16,;25.36,1.62,)|
BDBM200749 CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2sc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:35.42,wD:13.13,32.35,(1.12,5.55,;2.62,5.23,;3.1,3.77,;2.07,2.62,;2.54,1.16,;1.51,.02,;1.83,-1.49,;3.17,-2.26,;3.17,-3.8,;1.83,-4.57,;1.83,-6.11,;3.17,-6.88,;3.17,-8.42,;4.5,-9.19,;5.84,-8.42,;4.5,-10.73,;3.17,-11.5,;3.17,-13.04,;4.5,-13.81,;4.5,-15.35,;5.84,-13.04,;7.17,-13.81,;8.5,-13.04,;9.84,-13.81,;8.5,-11.5,;7.17,-10.73,;5.84,-11.5,;.5,-3.8,;.5,-2.26,;-.64,-1.23,;-.02,.18,;-.79,1.51,;3.65,6.38,;5.16,6.06,;6.19,7.2,;5.71,8.67,;4.21,8.99,;3.18,7.84,;6.75,9.81,;6.27,11.28,;4.76,11.6,;7.3,12.42,;8.44,11.39,;8.33,13.56,;8.01,15.07,;9.34,15.84,;10.49,14.81,;9.86,13.4,;6.16,13.45,;4.65,13.13,;3.88,14.46,;4.91,15.61,;6.32,14.98,)|
BDBM200750 CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2oc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C1(C)c2ccccc2Oc2ccccc12 |wU:35.42,wD:13.13,32.35,(3.58,2.63,;5.09,2.31,;5.57,.85,;4.54,-.3,;5.01,-1.76,;3.98,-2.91,;4.3,-4.41,;5.64,-5.18,;5.64,-6.72,;4.3,-7.49,;4.3,-9.03,;5.64,-9.8,;5.64,-11.34,;6.97,-12.11,;8.3,-11.34,;6.97,-13.65,;5.64,-14.42,;5.64,-15.96,;6.97,-16.73,;6.97,-18.27,;8.3,-15.96,;9.64,-16.73,;10.97,-15.96,;12.3,-16.73,;10.97,-14.42,;9.64,-13.65,;8.3,-14.42,;2.97,-6.72,;2.97,-5.18,;1.82,-4.15,;2.45,-2.75,;1.68,-1.41,;6.12,3.45,;7.63,3.13,;8.66,4.28,;8.18,5.74,;6.68,6.06,;5.65,4.92,;9.21,6.89,;8.74,8.35,;7.23,8.67,;9.77,9.5,;8.24,9.71,;10.03,11.01,;8.85,12,;9.12,13.52,;10.57,14.05,;11.75,13.06,;11.48,11.54,;12.66,10.55,;12.39,9.03,;13.57,8.04,;13.31,6.53,;11.86,6,;10.68,6.99,;10.95,8.51,)|
BDBM200751 CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2oc1=O)[C@H]1CC[C@@H](CC1)c1cccc2Oc3ccccc3C(C)(C([O-])=O)c12 |wU:33.39,wD:30.32,13.13,(5.33,-12.32,;4,-11.55,;2.67,-12.32,;1.33,-11.55,;,-12.32,;-1.33,-11.55,;-2.74,-12.18,;-3.22,-13.64,;-4.72,-13.96,;-5.75,-12.82,;-7.26,-13.14,;-7.74,-14.6,;-9.24,-14.92,;-9.72,-16.39,;-8.69,-17.53,;-11.22,-16.71,;-11.7,-18.17,;-13.21,-18.49,;-14.24,-17.35,;-15.74,-17.67,;-13.76,-15.88,;-14.79,-14.74,;-16.3,-15.06,;-16.77,-16.52,;-12.25,-15.56,;-5.28,-11.35,;-3.77,-11.03,;-3,-9.7,;-1.49,-10.02,;-.35,-8.99,;4,-10.01,;5.33,-9.24,;5.33,-7.7,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;9.34,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-5.39,;8,-4.62,;6.67,-5.39,;5.95,-6.75,;7.39,-6.75,;8.93,-6.8,;6.58,-8.06,;5.33,-4.62,)|
BDBM50146154 [H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1 |r|
BDBM50146160 [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@H](C)n3ncccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
BDBM200752 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)[C@@](O)(C1CCCC1)c1cccs1 |wU:40.45,34.41,wD:40.44,14.14,31.34,(9.03,5.39,;7.52,5.07,;7.04,3.6,;8.07,2.46,;7.6,.99,;8.63,-.15,;10.16,.01,;10.79,-1.4,;9.64,-2.43,;9.64,-3.97,;8.31,-4.74,;8.31,-6.28,;9.64,-7.05,;9.64,-8.59,;10.98,-9.36,;12.31,-8.59,;10.98,-10.9,;9.64,-11.67,;9.64,-13.21,;10.98,-13.98,;10.98,-15.52,;12.31,-13.21,;13.64,-13.98,;14.98,-13.21,;16.31,-13.98,;14.98,-11.67,;13.64,-10.9,;12.31,-11.67,;6.97,-3.97,;6.97,-2.43,;8.31,-1.66,;6.49,6.21,;6.97,7.68,;5.93,8.82,;4.43,8.5,;3.95,7.04,;4.98,5.89,;3.4,9.65,;1.89,9.32,;1.42,7.86,;.86,10.47,;-.28,9.44,;2.01,11.5,;1.84,13.03,;3.25,13.66,;4.28,12.51,;3.51,11.18,;-.17,11.61,;-1.7,11.45,;-2.33,12.86,;-1.18,13.89,;.15,13.12,)|
BDBM200753 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4NC(=O)COc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)[C@@](O)(C1CCCC1)c1cccs1 |wU:40.45,34.41,wD:40.44,14.14,31.34,(6.31,-4.67,;7.82,-4.35,;8.3,-2.88,;7.26,-1.74,;7.74,-.27,;6.71,.87,;5.18,.71,;4.55,2.12,;5.7,3.15,;5.7,4.69,;7.03,5.46,;7.03,7,;5.7,7.77,;5.7,9.31,;4.36,10.08,;3.03,9.31,;4.36,11.62,;5.7,12.39,;5.7,13.93,;4.36,14.7,;4.36,16.24,;3.03,13.93,;1.7,14.7,;.36,13.93,;-.97,14.7,;.36,12.39,;1.7,11.62,;3.03,12.39,;8.36,4.69,;8.36,3.15,;7.03,2.38,;8.85,-5.49,;8.37,-6.95,;9.4,-8.1,;10.91,-7.78,;11.39,-6.31,;10.36,-5.17,;11.94,-8.92,;13.45,-8.6,;13.92,-7.14,;14.48,-9.75,;15.62,-8.72,;13.33,-10.78,;13.49,-12.31,;12.09,-12.94,;11.06,-11.79,;11.83,-10.46,;15.51,-10.89,;17.04,-10.73,;17.67,-12.14,;16.52,-13.17,;15.19,-12.4,)|
BDBM200754 CN(CCCn1c2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2oc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:36.43,wD:14.14,33.36,(5.47,2.57,;6.5,3.72,;8,3.4,;8.48,1.93,;9.98,1.61,;10.46,.15,;11.93,-.33,;13.26,.44,;14.59,-.33,;14.59,-1.87,;15.93,-2.64,;15.93,-4.18,;17.26,-4.95,;17.26,-6.49,;18.59,-7.26,;19.93,-6.49,;18.59,-8.8,;17.26,-9.57,;17.26,-11.11,;18.59,-11.88,;18.59,-13.42,;19.93,-11.11,;21.26,-11.88,;22.59,-11.11,;23.93,-11.88,;22.59,-9.57,;21.26,-8.8,;19.93,-9.57,;13.26,-2.64,;11.93,-1.87,;10.46,-2.34,;9.56,-1.1,;8.02,-1.1,;6.02,5.18,;7.05,6.33,;6.57,7.79,;5.07,8.11,;4.04,6.97,;4.51,5.5,;4.59,9.58,;3.09,9.9,;2.06,8.75,;2.61,11.36,;4.07,11.84,;2.13,12.83,;.67,13.3,;.67,14.84,;2.13,15.32,;3.04,14.07,;1.15,10.89,;.67,9.42,;-.87,9.42,;-1.35,10.89,;-.1,11.79,)|
BDBM50146161 [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@H](C)n3ncccc3=O)cc2)N1)[C@H](O)c1cccnc1 |r|
BDBM200755 CC(Cc1ccc(OCC(=O)NCCN[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |wU:18.21,wD:40.44,15.14,(15.73,-2.32,;16.5,-.98,;15.73,.35,;14.19,.35,;13.42,1.69,;11.88,1.69,;11.11,.35,;9.57,.35,;8.8,-.98,;7.26,-.98,;6.49,.35,;6.49,-2.32,;4.95,-2.32,;4.18,-.98,;4.95,.35,;4.18,1.69,;4.95,3.02,;4.18,4.35,;2.64,4.35,;1.87,3.02,;2.64,1.69,;1.87,5.69,;.33,5.69,;-.44,4.35,;-.44,7.02,;.89,7.79,;-1.21,8.35,;-2.74,8.51,;-3.06,10.02,;-1.73,10.79,;-.58,9.76,;-1.77,6.25,;-1.93,4.72,;-3.44,4.4,;-4.21,5.73,;-3.18,6.88,;11.88,-.98,;13.42,-.98,;18.04,-.98,;18.81,-2.32,;20.35,-2.32,;21.12,-.98,;21.12,-3.65,;20.35,-4.98,;21.12,-6.32,;22.66,-6.32,;23.43,-7.65,;23.43,-4.98,;24.97,-4.98,;25.74,-3.65,;27.28,-3.65,;24.97,-2.32,;23.43,-2.32,;22.66,-3.65,)|
BDBM50128833 O[C@@H](CNCCCCCCCCCN1CCC(Cn2cnc(n2)C(O)(C2CCCCC2)c2ccccc2)CC1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50146159 [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3ccccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
BDBM50146162 [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4cccc(=O)n34)cc2)N1)[C@H](O)c1ccccc1 |r|
BDBM50148852 Cl.NCC1CC1c1cc(F)c(F)cc1OCC=C
BDBM50146155 [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
BDBM50146156 [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3ncccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
BDBM50146157 [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
BDBM50146158 [H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cccnc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
BDBM143688 CN(CCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
BDBM81993 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
BDBM238340 COc1cc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM238341 CC(Cc1ccc(NC(=O)c2ccc(C)c(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](C)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM238342 C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1cccc(CCNC(=O)c2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1 |r|
BDBM238343 CC(Cc1ccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NCCc1ccc(O)c2[nH]c(=O)ccc12
BDBM238344 C[C@@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50166980 COc1cc(CCNC[C@@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1 |r|
BDBM50167063 COc1cc(CCNCCc2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
BDBM50167064 COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50167065 COc1ccccc1OCCNCCc1ccc(O)c(O)c1
BDBM50167066 COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 |r|
BDBM50167067 COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 |r|
BDBM50167068 COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 |r|
BDBM50167070 CCCN[C@@H]1CCC2N=C(N)SC2C1 |r,t:8|
BDBM50167072 COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 |r|
BDBM50167073 COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 |r|
BDBM50166976 COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
BDBM50166978 COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
BDBM50166979 COc1cc(CCNC[C@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1 |r|
BDBM50167071 CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
BDBM50166977 COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 |r|
BDBM50167069 COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1 |r|
BDBM50204306 [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
BDBM50204312 [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
BDBM50213343 Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|
BDBM50213344 Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|