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7370 SMILES Strings for Beta-secretase 1

Compound NameSMILES String
BDBM16761 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,38.39,wD:31.32,28.30,41.46,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;6.23,2.24,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
BDBM16767 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CCC(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,36.37,wD:28.30,39.44,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
BDBM16764 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCc1ccccc1 |r|
BDBM16765 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,37.38,wD:28.30,31.33,40.45,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
BDBM16696 CC(C)CNC(=O)[C@H](CCS(C)(=O)=O)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
BDBM16256 CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)N(C)S(C)(=O)=O |r|
BDBM16713 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 |r|
BDBM16722 CCCC[C@H](NC[C@@H]1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(CCC)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
BDBM16710 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCC1)c1ccccc1 |r|
BDBM16760 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCCCC(O)=O |r|
BDBM16692 CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
BDBM16693 CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C |r|
BDBM16773 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 |r|
BDBM16759 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCC(O)=O |r|
BDBM16694 CCC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C |r|
BDBM16799 CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM16779 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16774 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16691 CC(C)CNC(=O)CNC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
BDBM16715 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C)Cc1ccccc1)c1ccccc1 |r|
BDBM16758 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCC(O)=O |r|
BDBM16709 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CC1)c1ccccc1 |r|
BDBM16714 C[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 |r|
BDBM15795 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)C(=O)NCC(C)C |r|
BDBM15799 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 |r|
BDBM15794 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H](C)C(=O)NCC(C)C |r|
BDBM15778 Nc1cccc(CCc2ccccc2)n1
BDBM16269 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCCCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM10589 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1|
BDBM29783 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C |r|
BDBM12342 O=c1ccc2ccccc2o1
BDBM16711 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)c1ccccc1 |r|
BDBM16251 CSCC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16266 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16254 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)C(C)C |r|
BDBM16699 C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
BDBM16700 C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)N1CCCC1C(O)=O |r|
BDBM50448549 CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O |r,c:3|
BDBM16712 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1)c1ccccc1 |r|
BDBM26507 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C)N1CCCCS1(=O)=O |r|
BDBM29770 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
BDBM26506 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C |r|
BDBM34571 Oc1cc2ccc(=O)oc2cc1O
BDBM4078 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM8960 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
BDBM8963 C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM14320 Nc1nccc2ccccc12
BDBM14322 Nc1ccc2ccccc2n1
BDBM16045 C[C@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 |r|
BDBM16263 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16258 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
BDBM16032 CN(c1cc(\C=C/C2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
BDBM16046 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccc(F)cc1 |r|
BDBM16259 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
BDBM16077 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM16029 CC(C)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O |r|
BDBM10145 CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r|
BDBM16250 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16044 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 |r|
BDBM16257 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
BDBM16030 CN(c1cc(cc(c1)C(=O)C1CCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
BDBM16031 CN(c1cc(\C=C\C2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
BDBM16033 CN(c1cc(CCC2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
BDBM16253 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C |r|
BDBM16035 C[C@@H](NC(=O)c1cc(cc(c1)C1=NC(CO)(Cc2ccccc2)CO1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r,t:12|
BDBM16027 CN(c1cc(Cc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
BDBM16025 CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(O)c1ccccc1)S(C)(=O)=O |r|
BDBM16262 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NC(C)c1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
BDBM16260 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
BDBM16261 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
BDBM16252 CSC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r|
BDBM114543 CCCCOc1ccc(CSC(N)=N)cc1Cl
BDBM16040 C[C@@H](NC(=O)c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16041 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16264 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\COC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r,t:14|
BDBM16020 CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O |r|
BDBM16042 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)C(=O)N(CC=C)CC=C)c1ccccc1 |r|
BDBM16028 CN(c1cc(cc(c1)C(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
BDBM16043 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)-c1ccccc1C#N)c1ccccc1 |r|
BDBM16036 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)OCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16034 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM16039 C[C@@H](NC(=O)c1cc(COC[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16038 C[C@@H](NC(=O)c1cc(COC[C@@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16022 CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)Cc1ccccc1)S(C)(=O)=O |r|
BDBM16037 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NC(CO)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16021 CCC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O |r|
BDBM16047 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM16026 CN(c1cc(cc(c1)C(=C)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
BDBM16255 CCCNC(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
BDBM16267 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\CCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r,t:14|
BDBM16271 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16265 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16270 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\CCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r,t:14|
BDBM16023 CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(O)Cc1ccccc1)S(C)(=O)=O |r|
BDBM16268 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16024 CN(c1cc(cc(c1)C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
BDBM16408 C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r|
BDBM16409 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16410 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16411 CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
BDBM16412 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)C)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16414 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(=O)(=O)N(C)C)c1ccccc1 |r|
BDBM16413 CC(C)S(=O)(=O)N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 |r|
BDBM15802 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccncc1 |r|
BDBM16695 CC(C)CNC(=O)[C@H](CCO)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
BDBM15784 CCCOc1cncc(c1)-c1cccc(CNc2cccnc2N)c1
BDBM15785 Nc1ncccc1NCc1cccc(c1)-c1ccc2cc[nH]c2c1
BDBM15788 Fc1ccc(CC2CCNCC2)cc1
BDBM15796 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1ccccc1 |r|
BDBM15798 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM15779 Nc1cccc(CCc2ccc3cc[nH]c3c2)n1
BDBM15790 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C |r|
BDBM15783 COc1cncc(c1)-c1cccc(CNc2cccnc2N)c1
BDBM15797 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 |r|
BDBM15780 COc1cccc(c1)-c1cccc(CCc2cccc(N)n2)c1
BDBM15781 Nc1ncccc1NCc1ccccc1
BDBM15791 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CN[C@@H](C)C(=O)NCC(C)C |r|
BDBM15793 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H](C)C(=O)NCC(C)C |r|
BDBM15792 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H](C)C(=O)NCC(C)C |r|
BDBM15789 Cc1ccc(C)c(OC[C@@H](O)CN2CCOCC2)c1
BDBM15782 Nc1ncccc1NCc1cccc(c1)-c1cccnc1
BDBM15805 CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H](NC(=O)[C@@H]1C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 |r|
BDBM15786 Nc1ncccc1NCc1cc(ccc1OCc1ccccc1)-c1ccc2cc[nH]c2c1
BDBM16744 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)c(=O)oc12
BDBM16730 OCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
BDBM15801 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 |r|
BDBM16680 CCCC[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
BDBM16728 O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cccc2ccccc12
BDBM16698 C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NC1CC1 |r|
BDBM16681 C[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
BDBM15804 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCN([C@@H](C)C(=O)N1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 |r|
BDBM16731 CCOC(=O)CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
BDBM16743 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)c(=O)oc12
BDBM16747 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CCO)CC3)c(=O)oc12
BDBM16697 CCNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
BDBM15803 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](N)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 |r|
BDBM16775 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16716 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC1)c1ccccc1 |r|
BDBM16726 Brc1ccc(N2CCNCC2)c(NC(=O)c2cccc3ccccc23)c1
BDBM16800 CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM16772 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM16683 CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(CCC)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
BDBM16725 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc3ccccc23)c1
BDBM15787 Nc1ncccc1NCc1cc(ccc1OCc1ccccn1)-c1ccc2cc[nH]c2c1
BDBM16757 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCC(O)=O |r|
BDBM16741 Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
BDBM16682 CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
BDBM16745 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=O)oc12
BDBM16677 C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1ccccc1 |r|
BDBM16684 CCCN(c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](C)N)S(C)(=O)=O |r|
BDBM16746 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCNCC3)c(=O)oc12
BDBM16748 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1NC(=O)c1cc2ccccc2oc1=O)-c1ccccc1
BDBM16771 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O |r|
BDBM16776 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 |r|
BDBM16727 OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12
BDBM16782 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16732 O=C(Nc1cc(ccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)-c1ccccc1)c1cccc2ccccc12
BDBM16729 O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cccc2ccccc12
BDBM16770 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O |r|
BDBM16742 OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O
BDBM16777 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM15800 CC(C)[C@H](NC(=O)CC[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 |r|
BDBM16678 CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
BDBM26785 CCNc1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
BDBM26658 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM16679 C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CCC(F)(F)F |r|
BDBM26769 CCOc1cc(cc(c1)C1=C(C)CCC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r,c:10|
BDBM26768 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM16687 CCOC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(=O)(=O)C(C)C)N(C)C[C@H]1C[C@@H]1C |r|
BDBM16740 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
BDBM16719 CC[C@H](NCC1Cc2cccc(OCCNC(=O)c3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
BDBM16703 CC(C)C(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O |r|
BDBM16756 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCC(O)=O |r|
BDBM16768 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,40.41,wD:31.32,28.30,43.48,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;8.9,2.24,;8.9,.7,;10.23,3.01,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
BDBM26778 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCc2ccccc12)N1CCCCS1(=O)=O |r|
BDBM26779 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCc2ccc(OC)cc12)N1CCCCS1(=O)=O |r|
BDBM26777 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCCS1(=O)=O |r|
BDBM26786 CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM26773 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
BDBM26772 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCS1(=O)=O |r|
BDBM26788 CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM26774 CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
BDBM26776 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCCS1(=O)=O |r|
BDBM16749 O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cc2ccccc2oc1=O
BDBM16701 CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(\C=C/[C@H]2C[C@@H]2C)cc(c1)N(C)S(C)(=O)=O |r|
BDBM26787 CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1 |r|
BDBM16733 NCCCCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
BDBM16674 C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1 |r|
BDBM16798 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM16706 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC=C)c1ccccc1 |r|
BDBM16721 CC[C@H](NCC1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
BDBM16720 CC[C@H](NCC1Cc2cccc(CCCCCc3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
BDBM16753 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1
BDBM26775 CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
BDBM16762 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCCCC(=O)OC |r|
BDBM16766 CCC[C@H](C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)C(=O)N(CCC)CCC)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:7.17,39.40,wD:3.3,5.5,42.47,(8.9,.7,;8.9,2.24,;7.56,3.01,;7.56,4.55,;6.23,5.32,;4.89,4.55,;4.89,3.01,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;2.23,4.55,;.89,5.32,;.89,6.86,;-.44,4.55,;-.44,3.01,;-1.77,2.24,;-3.11,3.01,;-3.11,4.55,;-1.77,5.32,;-4.44,5.32,;-4.44,6.86,;-5.78,4.55,;-7.11,5.32,;-8.44,4.55,;-9.78,5.32,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
BDBM16704 CCCN(c1cc(\C=C/C2CC2C)cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)S(C)(=O)=O |r|
BDBM16718 CN(c1cc2cc(c1)C(=O)NC(CO)Cc1cccc(OCCNC2=O)c1)S(C)(=O)=O
BDBM16769 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,43.45,wD:31.32,28.30,46.52,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;8.9,2.24,;8.9,.7,;10.23,-.07,;11.56,.7,;11.56,2.24,;10.23,3.01,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
BDBM16702 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16734 O[C@@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r|
BDBM16781 CC(C)C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16754 OCCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:23:18:25:22.21.24,23:22:18.19.17:25,THB:21:22:17:20.19.25,21:20:17:22.23.24|
BDBM16685 COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
BDBM16705 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1 |r|
BDBM16688 COCCN(C[C@H]1C[C@@H]1C)c1cc(cc(n1)N(C)S(=O)(=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)COC |r|
BDBM16676 CCCC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
BDBM16778 CSC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16735 O[C@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r|
BDBM16675 CCCC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
BDBM16717 CNC(=O)c1cc(cc(c1)C(=O)NC(CO)Cc1cccc(OC)c1)N(C)S(C)(=O)=O
BDBM16724 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12
BDBM16690 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CN)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16707 CC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1 |r|
BDBM16686 COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(=O)(=O)C(C)C)N(C)C[C@H]1C[C@@H]1C |r|
BDBM16763 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)OC)OC |r|
BDBM16752 NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:18:13:16.15.21,17:16:13:18.19.20|
BDBM16751 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1
BDBM16737 O=C(CCCCC1CCSS1)N1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
BDBM16780 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM16755 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO
BDBM16750 O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cc2ccccc2oc1=O
BDBM16689 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM16708 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
BDBM16738 Brc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
BDBM16739 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O
BDBM16736 O=C(Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)-c1ccccc1)c1cccc2ccccc12
BDBM16723 Brc1ccc(N2CCOCC2)c(NC(=O)c2cccc3ccccc23)c1
BDBM17783 CN(C1CCCCC1)C(=O)CCN1Cc2cc(ccc2N=C1N)C(=O)c1ccccc1 |c:22|
BDBM17784 CN(C1CCCCC1)C(=O)c1cccc(CN2Cc3cc(Oc4ccccc4)ccc3N=C2N)c1 |c:34|
BDBM26771 CCOc1cc(cc(c1)-c1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM26770 CCOc1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM17786 CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
BDBM26499 Cc1ccc(Nc2cc(ncn2)-c2ccc(cc2)-c2ccccc2)cc1NS(C)(=O)=O
BDBM26509 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1)N1CCCCS1(=O)=O |r|
BDBM26484 Cc1ccc(Nc2cc(ncn2)-c2ccccc2)cc1NS(C)(=O)=O
BDBM26502 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
BDBM17785 CN(C1CCCCC1)C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |c:38|
BDBM26504 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1 |r|
BDBM26500 Cc1ccc(Nc2cc(ncn2)-c2ccc(CCCO)cc2)cc1NS(C)(=O)=O
BDBM26485 CS(=O)(=O)Nc1cccc(Nc2cc(ncn2)-c2ccccc2)c1
BDBM26491 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1CC=C
BDBM26496 CN(C)c1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
BDBM26487 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br
BDBM26497 CN(C)c1ccc(cc1)-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
BDBM26494 CC(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1C
BDBM26503 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM26498 Cc1ccc(Nc2cc(ncn2)-c2ccccc2C)cc1NS(C)(=O)=O
BDBM26489 COc1ccc(Nc2cc(ncn2)-c2ccccc2)cc1NS(C)(=O)=O
BDBM26490 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1-c1ccccc1
BDBM26486 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Cl
BDBM26505 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)N1CCCCS1(=O)=O |r|
BDBM26501 Cc1ccc(Nc2cc(ncn2)-c2ccc3OCCOc3c2)cc1NS(C)(=O)=O
BDBM26488 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1F
BDBM26508 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
BDBM26492 [O-][N+](=O)c1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br
BDBM26493 Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br
BDBM26495 CN(c1cc(Nc2cc(ncn2)-c2ccccc2)ccc1C)S(C)(=O)=O
BDBM26783 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccco1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
BDBM26784 CCNc1cc(cc(c1)C(=O)N[C@@H](Cn1cccn1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
BDBM26780 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1)N1CCCCS1(=O)=O |r|
BDBM26510 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
BDBM26782 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
BDBM26513 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC)N1CCCCS1(=O)=O |r|
BDBM26511 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O |r|
BDBM26781 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
BDBM26512 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC |r|
BDBM2677 CCSc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:26|
BDBM25358 CC(=O)Nc1ccc(cc1)N1C(O)=NC(=NC2CCCCC2)C11CCN(Cc2ccccc2)CC1 |w:15.16,c:13|
BDBM25360 OC1=NC(=NC2CCCCC2)C2(CCN(CC2)c2ccc(F)cc2)N1c1cccc(F)c1 |w:4.4,t:1|
BDBM25357 OC1=NC(=NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1cccc(F)c1 |w:4.4,t:1|
BDBM25359 OC1=NC(=NC2CCCCC2)C2(CCNCC2)N1c1cccc(F)c1 |w:4.4,t:1|
BDBM25361 CC(=O)Nc1ccc(CN2CCC3(CC2)N(C(O)=NC3=NC2CCCCC2)c2cccc(F)c2)cc1 |w:20.22,c:18|
BDBM29792 CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
BDBM29779 CCN1CCN2CCS(=O)(=O)N(C)C3C=C(C=C1C23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:14,t:16|
BDBM29814 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)F |r|
BDBM29810 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCF |r|
BDBM25362 OC1=NC(=NC2CCCCC2)C2(CCN(Cc3cccc(c3)-c3ccccc3)CC2)N1c1cccc(F)c1 |w:4.4,t:1|
BDBM25363 Cc1ccccc1-c1cccc(CN2CCC3(CC2)N(C(O)=NC3=NC2CCCCC2)c2cccc(F)c2)c1 |w:24.27,c:23|
BDBM25353 OC1=NC(=NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1 |w:4.4,t:1|
BDBM29776 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
BDBM29788 CCc1cn2CCS(=O)(=O)Nc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM29802 CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r|
BDBM29811 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCF |r|
BDBM25355 CC(C)CCN1C(=O)N=C(NC2CCCCC2)C11CCN(Cc2ccccc2)CC1 |t:8|
BDBM25356 O=C1N=C(NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1Cc1ccccc1 |t:2|
BDBM29807 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C |r|
BDBM29789 CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
BDBM29785 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC |r|
BDBM29804 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
BDBM29800 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C |r|
BDBM29803 CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCn3cc(CC)c(c1)c23 |r|
BDBM29780 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
BDBM29815 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1 |r|
BDBM29782 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM29806 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
BDBM29777 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F |r|
BDBM29812 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)F |r|
BDBM29813 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)C(F)(F)F |r|
BDBM25354 O=C1NC2(CCN(Cc3ccccc3)CC2)C(NC2CCCCC2)=N1 |c:26|
BDBM29794 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
BDBM29787 CCc1cn2CCCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
BDBM29799 CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCn3cc(CC)c(c1)c23 |r|
BDBM29786 CCc1cn2CCCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM29805 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM29781 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM29778 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F |r|
BDBM29784 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
BDBM29793 CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
BDBM29796 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F |r|
BDBM29801 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C |r|
BDBM29775 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
BDBM29758 CCNc1cc(cc(N2CCCC2=O)c1OC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM29774 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1)N1CCCCS1(=O)=O |r|
BDBM29772 CCN1CCN2CCS(=O)(=O)N(C)C3C=C(C=C1C23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r,c:14,t:16|
BDBM29773 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM29790 CCc1cn2CCS(=O)(=O)N(C(C)C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
BDBM29768 CCc1ccnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM29769 CCn1c2cc(cc(N3CCCC3=O)c2[nH]c1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM29756 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM29757 CCNc1cc(cc(N2CCCC2=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM29754 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 |r|
BDBM29791 CCc1cn2CCS(=O)(=O)N(CC(F)(F)F)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
BDBM29771 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cncc(c1)C#N)N1CCCCS1(=O)=O |r|
BDBM29765 CCn1nnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM29808 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
BDBM29809 CCCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r|
BDBM29755 CCNc1cc(N2CCCC2=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM29748 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
BDBM29750 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
BDBM29761 CCn1cnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM29759 CCNc1cc(cc(N2CCCCS2(=O)=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM29764 CCn1ncc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM29766 CCc1cn(C)c2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM29763 CCc1c[nH]c2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM29762 CCn1ccc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM29767 CCc1coc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM50333388 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(O)=O |r|
BDBM29744 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C |r|
BDBM29760 CCNc1cc(cc(N2CCCCS2(=O)=O)c1OC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM50333389 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333390 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333391 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333392 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333393 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CN)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333394 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CO)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333395 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333396 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333397 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333398 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333399 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333400 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333401 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(O)=O |r|
BDBM50333402 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(Cc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333403 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333404 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333405 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NC[C@@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333406 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(O)(Cc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333407 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333408 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)NC[C@@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333409 CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333410 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333411 CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333412 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333413 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CN)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
BDBM50333943 CC(C)[C@H](C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50333944 CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50333945 CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50333946 CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C |r|
BDBM50333947 CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C |r|
BDBM50333948 COc1ccc(cc1)C1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r|
BDBM50333949 COCCCC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r|
BDBM50333950 COCCOC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r|
BDBM50333951 COCCOC1CCCc2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r|
BDBM29135 NCCc1ccc(O)cc1
BDBM50108540 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM31794 Nc1nc2ccc(Cl)cc2[nH]1
BDBM50128039 CSCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50128040 CC(C)C[C@H](NC(=O)C(CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1
BDBM50128041 CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(CC(C)C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50128042 CC(C)C[C@H](NC(=O)C(CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50136347 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50136348 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50136349 CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50128038 CC(C)C[C@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50196739 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccc1O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50136350 CCC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50196740 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196741 CCCCS(=O)(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196742 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50108556 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50108549 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108550 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108551 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108552 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O
BDBM50108553 CC(C)CC(NC(=O)[C@@H](N)CC(N)=O)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108554 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O
BDBM50108555 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108538 CC(C)CC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108539 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108557 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM142374 NC1=N[C@]2(CO[C@@H](COC(=O)c3ccccc3)C[C@H]2CS1)c1ccccc1F |r,t:1|
BDBM142375 NC1=N[C@]2(COCC[C@H]2CS1)c1c(F)cccc1F |r,t:1|
BDBM142376 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(Cl)cc1F |r,t:1|
BDBM142377 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(O)cc1F |r,t:1|
BDBM142378 COc1ccccc1[C@]12COCC[C@H]1CSC(N)=N2 |r,c:19|
BDBM142379 NC1=N[C@@]2(COCC[C@@H]2CS1)c1ccc(F)cc1F |r,t:1|
BDBM142380 NC1=N[C@]2(CO[C@@H](COc3cnccn3)C[C@H]2CS1)c1ccccc1F |r,t:1|
BDBM142381 NC1=N[C@]2(CO[C@@H](COc3ncccn3)C[C@H]2CS1)c1ccccc1F |r,t:1|
BDBM142384 NC1=N[C@]2(COCC[C@H]2CS1)c1ccccc1OC(F)(F)F |r,t:1|
BDBM142385 COC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1F |r,c:9|
BDBM142386 C[C@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1ccccc1F |r,c:4|
BDBM142387 C[C@@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1ccccc1F |r,c:4|
BDBM142388 NC1=N[C@]2(CO[C@@H](CO)C[C@H]2CS1)c1ccccc1F |r,t:1|
BDBM142389 C[C@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1cc(Br)ccc1F |r,c:4|
BDBM142390 C[C@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1cc(ccc1F)-c1cncnc1 |r,c:4|
BDBM142391 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1F |t:1|
BDBM142392 CC(C)OC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1F |c:11|
BDBM142393 NC1=N[C@]2(CO[C@@H](CO)C[C@H]2CS1)c1ccc(F)cc1F |t:1|
BDBM142394 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccc(F)cc1F |t:1|
BDBM142395 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccccc1F |t:1|
BDBM50084980 OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|
BDBM50135163 Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
BDBM50135164 Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
BDBM50135165 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|
BDBM50135166 Oc1cc(cc(O)c1O)C(=O)OC[C@@H]1O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
BDBM50148344 CCC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50148345 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50148346 CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)NC(CCSC)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50148347 CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)NC(CCS(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50135167 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 |r|
BDBM50135168 Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
BDBM50148341 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50148342 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50148343 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50241052 Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
BDBM50136342 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50136343 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50136351 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50196732 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196737 CCCCS(=O)(=O)C[C@@H](NC(=O)SC1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196738 CCCCS(=O)(=O)C[C@@H](NC(=O)OCCNC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50108535 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50108536 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50108537 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108543 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50108544 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108545 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O
BDBM50108546 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108547 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50108548 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM50171337 CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N(C)C
BDBM50171338 COCCCNC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1N(C)C
BDBM50171339 CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1
BDBM50171340 CN(C)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C(=O)NCCCN1CCOCC1
BDBM50196733 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196734 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196735 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196736 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM209913 C[C@]1(CSCC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
BDBM209914 C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:8|
BDBM209915 C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:8|
BDBM209916 C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:8|
BDBM209917 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:4|
BDBM209918 COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30|
BDBM209919 CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:4|
BDBM209920 C[C@]1(CS(=O)(=O)C2(CCCC2)C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:13|
BDBM50182869 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1
BDBM50182870 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1
BDBM50182871 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
BDBM50182872 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1
BDBM50182873 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1
BDBM50157440 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM50157441 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
BDBM50157442 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
BDBM50157438 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O
BDBM50157439 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O
BDBM50152294 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NC[C@H]1CCC(CC1)C(O)=O |wU:18.18,38.39,wD:31.35,28.30,(-12.85,2.46,;-11.51,1.7,;-11.49,.15,;-10.16,-.61,;-10.16,-2.15,;-11.49,-2.92,;-11.49,-4.46,;-8.83,.15,;-8.83,1.7,;-7.5,-.63,;-7.5,-2.17,;-6.19,-2.94,;-4.83,-2.16,;-4.86,-.61,;-6.19,.15,;-3.51,.15,;-3.52,1.7,;-2.17,-.63,;-.84,.14,;-.83,1.7,;.04,3.37,;.01,4.91,;1.34,5.67,;1.34,7.22,;2.69,4.91,;2.69,3.37,;4.02,2.6,;1.37,2.6,;.5,-.63,;.5,-2.17,;1.82,.14,;3.16,-.63,;3.16,-2.17,;1.83,-2.94,;4.48,.14,;4.46,1.32,;5.84,-.63,;7.17,.15,;8.52,-.61,;9.84,.15,;11.17,-.61,;11.18,-2.15,;9.87,-2.92,;8.52,-2.15,;12.51,-2.91,;12.51,-4.44,;13.84,-2.13,)|
BDBM50152295 CC(C)C[C@H](NCC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50127405 CC(C)CC(NC(=O)Cc1ccc(cc1)-c1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127406 CC(C)CC(NC(=O)Cc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127432 CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50127433 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NC1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O
BDBM50127434 COC(=O)CCCNC(=O)[C@H](NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
BDBM50127435 CC(C)CC(NC(=O)[C@@H](O)c1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127436 CC(C)CC(NC(=O)CCCOc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127437 CCCCNC(=O)[C@H](NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
BDBM50152292 CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1
BDBM50152293 CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50152290 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)C[C@@H](Cc1ccccc1)C(O)=O
BDBM50136325 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(N)=O
BDBM50136327 CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50156002 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1
BDBM50254785 C[C@@H](NC(=O)c1cc2OCCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
BDBM50276756 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(O)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1
BDBM50127400 CC(C)CC(NC(=O)C(O)c1ccccc1Br)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127401 CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NC1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O
BDBM50127402 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCCC(O)=O
BDBM50127403 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCCCC(O)=O
BDBM50127404 COC(=O)[C@H]1CC(C[C@H](C1)C(=O)OC)NC(=O)[C@H](NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
BDBM142367 NC1=N[C@]2(CO[C@@H](COc3ccccn3)C[C@H]2CS1)c1ccccc1F |r,t:1|
BDBM142365 NC1=N[C@]2(CO[C@@H](COCc3ccccc3)C[C@H]2CO1)c1ccc(F)cc1F |r,t:1|
BDBM142366 NC1=N[C@]2(CO[C@@H](COc3ccccc3)C[C@H]2CS1)c1ccccc1F |r,t:1|
BDBM142368 CCOC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1F |r,c:10|
BDBM142369 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1F |r,t:1|
BDBM142370 NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1 |r,t:1|
BDBM142371 NC1=N[C@]2(COCC[C@H]2CS1)c1ccccc1F |r,t:1|
BDBM142372 Cc1ccc(c(F)c1)[C@]12COCC[C@H]1CSC(N)=N2 |r,c:19|
BDBM50397672 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3ccc(F)nc3)c2c1 |r|
BDBM50397673 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3cccnc3)c2c1 |r|
BDBM50397674 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3cccnc3F)c2c1 |r|
BDBM50397675 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3ccccc3F)c2c1 |r|
BDBM50397676 C[C@@H](F)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397677 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)[C@@H]3CCCO3)c2c1 |r|
BDBM50397678 CO[C@H](C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50127407 COC(=O)[C@H]1CC(C[C@H](C1)C(=O)OC)NC(=O)[C@H](NC(=O)C[C@H](O)[C@@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(C)C
BDBM50127408 CCCCOc1ccc(cc1)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127409 CC(C)C[C@H](NC(=O)C(O)c1ccccc1Br)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50127410 CC(C)CC(NC(=O)C(O)c1cccc(Oc2ccccc2)c1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127411 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NO
BDBM50216176 CC1CC1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1cc(F)cc(F)c1 |w:3.4,1.0|
BDBM50276617 C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 |r|
BDBM50276618 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1 |r|
BDBM50155997 CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50155998 CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1
BDBM50155999 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)C(O)CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50136328 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50136329 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O
BDBM50136332 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(N)=O
BDBM50136333 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(N)=O
BDBM50136334 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50136335 CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50136336 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50136339 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50196588 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCS(=O)(=O)c2ccccc2)c1
BDBM50196589 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)c2ccccc2)c1
BDBM50196590 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)C2CCCCC2)c1
BDBM50196591 Cc1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1
BDBM50196592 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)C2CCCCC2)c1
BDBM50397700 COC(OC)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397701 CCO[C@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397702 CO[C@@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397703 CO[C@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397704 CCOCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397705 CCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397706 CC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397707 COCC(=O)N[C@@H](Cc1cc(ccc1F)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397708 COCC(=O)N[C@@H](Cc1cc(F)cc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397709 COCC(=O)N[C@@H](Cc1ccc(F)c(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397710 COCC(=O)N[C@@H](Cc1cccc(C#C)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397711 COCC(=O)N[C@@H](Cc1cc(ccc1F)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397712 COCC(=O)N[C@@H](Cc1cc(F)cc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397680 COCC(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397681 CC(=O)N[C@@H](Cc1ccc2OCCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397682 CC(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397679 CC(C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397683 CC(=O)N[C@@H](Cc1ccc(OC(F)F)c(OC(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397684 COc1ccc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)cc1OC |r|
BDBM50397685 COCC(=O)N[C@@H](Cc1ccc(cc1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397686 COCC(=O)N[C@@H](Cc1ccc(cc1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397687 COCC(=O)N[C@@H](Cc1cccc(c1)C#CC)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397688 COCC(=O)N[C@@H](Cc1cccc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397689 COCC(=O)N[C@@H](Cc1cccc(c1)-c1nc(C)cs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397690 COCC(=O)N[C@@H](Cc1cccc(c1)-c1cscn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397691 COCC(=O)N[C@@H](Cc1cccc(c1)-c1cncs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397692 COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397693 COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccn1C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397694 COCC(=O)N[C@@H](Cc1cccc(c1)-c1ncco1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397695 COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccccn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397696 COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccncc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397697 C[C@@H](O)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
BDBM50397698 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(c3)-c3nccs3)NC(=O)[C@@H]3CCCO3)c2c1 |r|
BDBM50397699 CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(c3)-c3nccs3)NC(=O)[C@H]3CCCO3)c2c1 |r|
BDBM50196731 CCCCS(=O)(=O)C[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50156013 CC(C)C[C@H](NC(=O)C(CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50156014 CSCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50156017 CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50210577 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC(CC(C)C)P(O)(=O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |w:26.25|
BDBM50210578 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)P(O)(=O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM160661 NC1=NC2(CO[C@@H](CO)C[C@H]2CS1)c1cc(C#N)c(F)cc1F |t:1|
BDBM160659 COc1cc(F)c(cc1C#N)C12CO[C@@H](COCc3ccccc3)C[C@H]1CSC(N)=N2 |c:32|
BDBM160660 NC1=NC2(CO[C@@H](COCc3ccccc3)C[C@H]2CS1)c1cc(C#N)c(F)cc1F |t:1|
BDBM160662 NC1=NC2(CO[C@@H](CF)C[C@H]2CS1)c1cc(C#N)c(F)cc1F |t:1|
BDBM160663 COC[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(C#N)c(F)cc1F |c:9|
BDBM160664 C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1Cl)C#N |c:7|
BDBM160665 C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cccc(c1)C#N |c:7|
BDBM160666 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F |t:1|
BDBM160667 C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)c(F)cc1F |c:7|
BDBM160668 Cc1cc(on1)[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N |c:13|
BDBM160669 Cc1coc(n1)[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N |c:13|
BDBM160670 Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N |c:13|
BDBM160671 NC1=NC2(CO[C@H](C[C@H]2CS1)C1CC1)c1cc(ccc1F)C#N |t:1|
BDBM160672 C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N |c:7|
BDBM160673 NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)ccc1F |t:1|
BDBM160674 Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)ccc1F |c:13|
BDBM160675 C[C@H]1SC(N)=NC2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1cc(ccc1F)C#N |c:4|
BDBM160676 COC[C@@H](C)NCc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1CSC(N)=N2)c1cnn(C)c1 |c:25|
BDBM160677 C[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)ccc1F |c:9|
BDBM160678 C[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)c(F)cc1F |c:9|
BDBM160679 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCON=C23)-c2cc(F)cc(Cl)c2)CC1 |t:16,23,(8.5,-1.7,;7.17,-2.47,;5.84,-1.7,;4.75,-2.79,;3.41,-2.03,;1.87,-2.03,;.96,-3.27,;-.5,-2.8,;-1.83,-3.57,;-3.17,-2.8,;-3.17,-1.26,;-1.83,-.49,;-.5,-1.26,;.96,-.78,;-.56,-.54,;-.8,.98,;-2.13,1.75,;.57,1.68,;.97,3.17,;2.46,3.57,;3.55,2.48,;3.15,.99,;1.66,.59,;-4.5,-.49,;-4.5,1.05,;-5.84,1.82,;-5.84,3.36,;-7.17,1.05,;-7.17,-.49,;-8.5,-1.26,;-5.84,-1.26,;2.96,-.94,;4.3,-1.7,)|
BDBM160680 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCON=C23)-c2cccc(OC(F)(F)F)c2)CC1 |t:16,23,(8.5,-2.65,;7.17,-3.42,;5.84,-2.65,;4.75,-3.74,;3.41,-2.98,;1.87,-2.98,;.96,-4.22,;-.5,-3.75,;-1.83,-4.52,;-3.17,-3.75,;-3.17,-2.21,;-1.83,-1.44,;-.5,-2.21,;.96,-1.73,;-.56,-1.49,;-.8,.03,;-2.13,.8,;.57,.73,;.97,2.22,;2.46,2.62,;3.55,1.53,;3.15,.04,;1.66,-.36,;-4.5,-1.44,;-5.84,-2.21,;-7.17,-1.44,;-7.17,.1,;-5.84,.87,;-5.84,2.41,;-7.17,3.18,;-8.5,3.95,;-6.4,4.52,;-7.94,1.85,;-4.5,.1,;2.96,-1.89,;4.3,-2.65,)|
BDBM160681 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)-c2cc(F)cc(Cl)c2)CC1 |t:16,23,(8.5,-1.7,;7.17,-2.47,;5.84,-1.7,;4.75,-2.79,;3.41,-2.03,;1.87,-2.03,;.96,-3.27,;-.5,-2.8,;-1.83,-3.57,;-3.17,-2.8,;-3.17,-1.26,;-1.83,-.49,;-.5,-1.26,;.96,-.78,;-.56,-.54,;-.8,.98,;-2.13,1.75,;.57,1.68,;.97,3.17,;2.46,3.57,;3.55,2.48,;3.15,.99,;1.66,.59,;-4.5,-.49,;-4.5,1.05,;-5.84,1.82,;-5.84,3.36,;-7.17,1.05,;-7.17,-.49,;-8.5,-1.26,;-5.84,-1.26,;2.96,-.94,;4.3,-1.7,)|
BDBM160682 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)C#CC2CC2)CC1 |t:16,23,(8.61,-1.4,;7.27,-2.17,;5.94,-1.4,;4.85,-2.49,;3.51,-1.72,;1.97,-1.72,;1.07,-2.97,;-.4,-2.49,;-1.73,-3.26,;-3.07,-2.49,;-3.07,-.95,;-1.73,-.18,;-.4,-.95,;1.07,-.48,;-.13,.49,;.42,1.93,;-.35,3.26,;1.96,1.85,;3.05,2.94,;4.54,2.54,;4.93,1.05,;3.85,-.04,;2.36,.36,;-4.4,-.18,;-5.73,.59,;-7.07,1.36,;-7.84,2.69,;-8.61,1.36,;3.06,-.63,;4.4,-1.4,)|
BDBM160683 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)-c2cccnc2)CC1 |t:16,23,(7.84,-1.4,;6.5,-2.17,;5.17,-1.4,;4.08,-2.49,;2.74,-1.72,;1.2,-1.72,;.3,-2.97,;-1.17,-2.49,;-2.5,-3.26,;-3.84,-2.49,;-3.84,-.95,;-2.5,-.18,;-1.17,-.95,;.3,-.48,;-.9,.49,;-.35,1.93,;-1.12,3.26,;1.19,1.85,;2.28,2.94,;3.77,2.54,;4.16,1.05,;3.08,-.04,;1.59,.36,;-5.17,-.18,;-6.5,-.95,;-7.84,-.18,;-7.84,1.36,;-6.5,2.13,;-5.17,1.36,;2.29,-.63,;3.63,-1.4,)|
BDBM160684 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC(F)(F)CN=C23)-c2cc(F)cc(Cl)c2)CC1 |t:16,25,(8.5,-1.78,;7.17,-2.55,;5.84,-1.78,;4.75,-2.87,;3.41,-2.11,;1.87,-2.11,;.96,-3.35,;-.5,-2.88,;-1.83,-3.65,;-3.17,-2.88,;-3.17,-1.34,;-1.83,-.57,;-.5,-1.34,;.96,-.86,;-.23,.11,;.32,1.55,;-.45,2.88,;1.86,1.47,;2.95,2.56,;4.43,2.16,;5.92,2.56,;4.83,3.65,;4.83,.67,;3.74,-.42,;2.26,-.02,;-4.5,-.57,;-4.5,.97,;-5.84,1.74,;-5.84,3.28,;-7.17,.97,;-7.17,-.57,;-8.5,-1.34,;-5.84,-1.34,;2.96,-1.02,;4.3,-1.78,)|
BDBM160685 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC(C)(C)CN=C23)-c2cc(F)cc(Cl)c2)CC1 |t:16,25,(8.5,-1.78,;7.17,-2.55,;5.84,-1.78,;4.75,-2.87,;3.41,-2.11,;1.87,-2.11,;.96,-3.35,;-.5,-2.88,;-1.83,-3.65,;-3.17,-2.88,;-3.17,-1.34,;-1.83,-.57,;-.5,-1.34,;.96,-.86,;-.23,.11,;.32,1.55,;-.45,2.88,;1.86,1.47,;2.95,2.56,;4.43,2.16,;5.92,1.76,;4.83,3.65,;4.83,.67,;3.74,-.42,;2.26,-.02,;-4.5,-.57,;-4.5,.97,;-5.84,1.74,;-5.84,3.28,;-7.17,.97,;-7.17,-.57,;-8.5,-1.34,;-5.84,-1.34,;2.96,-1.02,;4.3,-1.78,)|
BDBM160686 CCC1CN=C2N(C1)C(N)=NC21c2cc(ccc2CC11CCC(CC1)OC)-c1cc(F)cc(Cl)c1 |c:4,10,(7.01,3.03,;5.52,3.43,;4.43,2.34,;4.83,.85,;3.74,-.24,;2.26,.16,;1.86,1.65,;2.95,2.74,;.32,1.73,;-.45,3.06,;-.23,.29,;.96,-.68,;-.5,-1.15,;-1.83,-.38,;-3.17,-1.15,;-3.17,-2.69,;-1.83,-3.47,;-.5,-2.69,;.96,-3.17,;1.87,-1.93,;3.41,-1.93,;4.75,-2.69,;5.84,-1.6,;4.3,-1.6,;2.96,-.84,;7.17,-2.37,;8.5,-1.6,;-4.5,-.38,;-4.5,1.15,;-5.84,1.93,;-5.84,3.47,;-7.17,1.15,;-7.17,-.38,;-8.5,-1.15,;-5.84,-1.15,)|
BDBM160687 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC(F)(F)CN=C23)C#CC2CC2)CC1 |t:16,25,(8.61,-1.78,;7.27,-2.55,;5.94,-1.78,;4.85,-2.87,;3.51,-2.11,;1.97,-2.11,;1.07,-3.35,;-.4,-2.88,;-1.73,-3.65,;-3.07,-2.88,;-3.07,-1.34,;-1.73,-.57,;-.4,-1.34,;1.07,-.86,;-.13,.11,;.42,1.55,;-.35,2.88,;1.96,1.47,;3.05,2.56,;4.54,2.16,;4.93,3.65,;6.02,1.76,;4.93,.67,;3.85,-.42,;2.36,-.02,;-4.4,-.57,;-5.73,.2,;-7.07,.97,;-7.84,2.31,;-8.61,.97,;3.06,-1.02,;4.4,-1.78,)|
BDBM160688 COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC4(CC4)CN=C23)C#CC2CC2)CC1 |t:16,26,(8.61,-1.78,;7.27,-2.55,;5.94,-1.78,;4.85,-2.87,;3.51,-2.11,;1.97,-2.11,;1.07,-3.35,;-.4,-2.88,;-1.73,-3.65,;-3.07,-2.88,;-3.07,-1.34,;-1.73,-.57,;-.4,-1.34,;1.07,-.86,;-.13,.11,;.42,1.55,;-.35,2.88,;1.96,1.47,;3.05,2.56,;4.54,2.16,;6.02,2.56,;4.93,3.65,;4.93,.67,;3.85,-.42,;2.36,-.02,;-4.4,-.57,;-5.73,.2,;-7.07,.97,;-7.84,2.31,;-8.61,.97,;3.06,-1.02,;4.4,-1.78,)|
BDBM160689 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N3CC4(CC4)CN=C23)CC1 |t:17,27,(6.46,-2.47,;4.97,-2.87,;3.88,-1.78,;2.79,-2.87,;1.45,-2.11,;-.09,-2.11,;-.99,-3.35,;-2.46,-2.88,;-3.79,-3.65,;-5.12,-2.88,;-5.12,-1.34,;-6.46,-.57,;-3.79,-.57,;-2.46,-1.34,;-.99,-.86,;-2.19,.11,;-1.64,1.55,;-2.41,2.88,;-.1,1.47,;.99,2.56,;2.48,2.16,;3.97,2.56,;2.88,3.65,;2.88,.67,;1.79,-.42,;.3,-.02,;1,-1.02,;2.34,-1.78,)|
BDBM160690 COC1CCC2(Cc3ccc(OC)cc3C22N=C(N)N3C2CCCC3C(F)(F)F)CC1 |t:18,(6.76,-4.84,;5.27,-4.44,;4.87,-2.96,;3.54,-3.73,;2.44,-2.64,;.95,-2.27,;.04,-3.52,;-1.42,-3.04,;-2.76,-3.81,;-4.09,-3.04,;-4.09,-1.5,;-5.42,-.73,;-6.76,-1.5,;-2.76,-.73,;-1.42,-1.5,;.04,-1.02,;-.86,.22,;.04,1.47,;-.73,2.8,;1.51,.99,;1.51,-.55,;2.84,-1.32,;4.17,-.55,;4.17,.99,;2.84,1.76,;2.84,3.3,;1.51,4.07,;4.17,4.07,;2.84,4.84,;2.28,-1.5,;3.38,-2.64,)|
BDBM160691 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3ccccc23)CC1 |t:17,(6.39,-.45,;5.06,-1.22,;3.72,-.45,;2.95,-1.79,;1.46,-1.36,;-.02,-1.79,;-.92,-3.03,;-2.39,-2.56,;-3.72,-3.33,;-5.06,-2.56,;-5.06,-1.02,;-6.39,-.25,;-3.72,-.25,;-2.39,-1.02,;-.92,-.54,;.33,.55,;-.22,1.99,;.55,3.33,;-1.76,1.91,;-2.85,3,;-4.34,2.6,;-4.74,1.11,;-3.65,.03,;-2.16,.42,;.75,-.45,;2.24,-.88,)|
BDBM160692 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccccc23)C#CC2CC2)CC1 |t:16,(8.49,-.43,;7.16,-1.2,;5.83,-.43,;5.06,-1.76,;3.57,-1.34,;2.09,-1.76,;1.18,-3,;-.28,-2.53,;-1.62,-3.3,;-2.95,-2.53,;-2.95,-.99,;-1.62,-.22,;-.28,-.99,;1.18,-.51,;-.23,.11,;-.07,1.64,;-1.4,2.41,;1.44,1.97,;2.21,3.3,;3.75,3.3,;4.52,1.97,;3.75,.63,;2.21,.63,;-4.29,-.22,;-5.62,.55,;-6.95,1.32,;-7.72,2.65,;-8.49,1.32,;2.86,-.43,;4.34,-.85,)|
BDBM160693 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccccc23)-c2cccc(c2)C#N)CC1 |t:16,(7.84,-2.37,;6.5,-3.14,;5.17,-2.37,;4.08,-3.46,;2.74,-2.69,;1.2,-2.69,;.3,-3.94,;-1.17,-3.47,;-2.5,-4.23,;-3.84,-3.47,;-3.84,-1.93,;-2.5,-1.15,;-1.17,-1.93,;.3,-1.45,;-.9,-.48,;-.35,.96,;-1.12,2.29,;1.19,.88,;2.28,1.97,;3.77,1.57,;4.16,.08,;3.08,-1.01,;1.59,-.61,;-5.17,-1.15,;-6.5,-1.93,;-7.84,-1.15,;-7.84,.38,;-6.5,1.15,;-5.17,.38,;-6.5,2.69,;-6.5,4.23,;2.29,-1.61,;3.63,-2.37,)|
BDBM160694 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccccc23)-c2cncc(c2)C(F)(F)F)CC1 |t:16,(7.92,-3.38,;6.58,-4.15,;5.25,-3.38,;3.92,-4.15,;2.82,-3.07,;1.33,-2.69,;.42,-3.94,;-1.04,-3.47,;-2.38,-4.23,;-3.71,-3.47,;-3.71,-1.93,;-2.38,-1.15,;-1.04,-1.93,;.42,-1.45,;-.77,-.48,;-.22,.96,;-.99,2.29,;1.32,.88,;2.4,1.97,;3.89,1.57,;4.29,.08,;3.2,-1.01,;1.71,-.61,;-5.04,-1.15,;-6.38,-1.93,;-7.71,-1.15,;-7.71,.38,;-6.38,1.15,;-5.04,.38,;-6.38,2.69,;-6.38,4.23,;-4.84,2.69,;-7.92,2.69,;2.66,-1.93,;3.76,-3.07,)|
BDBM160695 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C#N)C#CC2CC2)CC1 |t:16,(8.58,-2.57,;7.25,-3.34,;5.92,-2.57,;4.58,-3.34,;3.49,-2.26,;1.99,-1.88,;1.09,-3.13,;-.38,-2.65,;-1.71,-3.42,;-3.04,-2.65,;-3.04,-1.11,;-1.71,-.34,;-.38,-1.11,;1.09,-.64,;2.55,-.16,;2.55,1.38,;3.89,2.15,;1.09,1.85,;.46,3.26,;-1.07,3.42,;-1.97,2.18,;-1.35,.77,;.18,.61,;-3.46,2.58,;-4.95,2.97,;-4.38,-.34,;-5.71,.43,;-7.04,1.2,;-7.81,2.53,;-8.58,1.2,;3.33,-1.11,;4.42,-2.26,)|
BDBM160696 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C#N)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(7.72,-3.99,;7.32,-2.51,;5.83,-2.11,;5.43,-.62,;3.95,-.22,;2.86,-1.31,;1.95,-2.56,;.49,-2.08,;-.85,-2.85,;-2.18,-2.08,;-2.18,-.54,;-.85,.23,;.49,-.54,;1.95,-.07,;3.42,.41,;3.42,1.95,;4.75,2.72,;1.95,2.43,;1.33,3.83,;-.2,3.99,;-1.11,2.75,;-.48,1.34,;1.05,1.18,;-2.6,3.15,;-4.08,3.55,;-3.51,.23,;-4.85,1,;-6.18,1.77,;-6.95,3.1,;-7.72,1.77,;3.26,-2.8,;4.74,-3.2,)|
BDBM160697 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)c3ccc(cc23)C#N)C#CC2CC2)CC1 |r,wD:5.5,13.15,2.1,t:16,(7.18,-3.83,;6.78,-2.35,;5.3,-1.95,;4.9,-.46,;3.41,-.06,;2.32,-1.15,;1.41,-2.4,;-.05,-1.92,;-1.38,-2.69,;-2.72,-1.92,;-2.72,-.38,;-1.38,.39,;-.05,-.38,;1.41,.09,;.22,1.06,;.77,2.5,;,3.83,;2.31,2.42,;3.4,3.51,;4.88,3.11,;5.28,1.62,;4.19,.53,;2.71,.93,;6.77,1.22,;8.26,.83,;-4.05,.39,;-5.38,1.16,;-6.72,1.93,;-7.49,3.26,;-8.26,1.93,;2.72,-2.64,;4.21,-3.04,)|
BDBM160698 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C#N)-c2cc(F)cc(Cl)c2)CC1 |t:16,(8.48,-2.61,;7.15,-3.38,;5.81,-2.61,;4.48,-3.38,;3.38,-2.3,;1.89,-1.93,;.99,-3.17,;-.48,-2.69,;-1.81,-3.47,;-3.15,-2.69,;-3.15,-1.15,;-1.81,-.38,;-.48,-1.15,;.99,-.68,;-.21,.29,;.34,1.73,;-.43,3.06,;1.88,1.65,;2.97,2.74,;4.46,2.34,;4.85,.85,;3.76,-.24,;2.28,.16,;6.34,.45,;7.83,.05,;-4.48,-.38,;-5.81,-1.15,;-7.15,-.38,;-8.48,-1.15,;-7.15,1.15,;-5.81,1.93,;-5.81,3.47,;-4.48,1.15,;3.22,-1.15,;4.32,-2.3,)|
BDBM160699 COC1CCC2(CC1)Oc1ccc(cc1C21N=C(N)c2ccccc12)C#CC1CC1 |t:19,(8.58,-2.41,;7.25,-3.18,;5.92,-2.41,;4.58,-3.18,;3.49,-2.1,;1.99,-1.72,;3.33,-.95,;4.42,-2.1,;1.09,-2.97,;-.38,-2.49,;-1.71,-3.26,;-3.04,-2.49,;-3.04,-.95,;-1.71,-.18,;-.38,-.95,;1.09,-.48,;-.11,.49,;.44,1.93,;-.33,3.26,;1.98,1.85,;3.07,2.94,;4.56,2.54,;4.96,1.05,;3.87,-.04,;2.38,.36,;-4.38,-.18,;-5.71,.59,;-7.04,1.36,;-7.81,2.69,;-8.58,1.36,)|
BDBM160700 COC1CCC2(CC1)Oc1ccc(Cl)cc1C21N=C(N)c2ccccc12 |t:20,(6.48,-2.41,;5.15,-3.18,;3.81,-2.41,;2.48,-3.18,;1.38,-2.1,;-.11,-1.72,;1.22,-.95,;2.32,-2.1,;-1.01,-2.97,;-2.48,-2.49,;-3.81,-3.26,;-5.15,-2.49,;-5.15,-.95,;-6.48,-.18,;-3.81,-.18,;-2.48,-.95,;-1.01,-.48,;-2.21,.49,;-1.66,1.93,;-2.43,3.26,;-.12,1.85,;.97,2.94,;2.45,2.54,;2.85,1.05,;1.76,-.04,;.28,.36,)|
BDBM160701 COC1CCC2(CC1)Oc1ccc(Cl)cc1C21N=C(N)c2ccc(cc12)C#N |t:20,(6.48,-2.41,;5.15,-3.18,;3.81,-2.41,;2.48,-3.18,;1.38,-2.1,;-.11,-1.72,;1.22,-.95,;2.32,-2.1,;-1.01,-2.97,;-2.48,-2.49,;-3.81,-3.26,;-5.15,-2.49,;-5.15,-.95,;-6.48,-.18,;-3.81,-.18,;-2.48,-.95,;-1.01,-.48,;-2.21,.49,;-1.66,1.93,;-2.43,3.26,;-.12,1.85,;.97,2.94,;2.45,2.54,;2.85,1.05,;1.76,-.04,;.28,.36,;4.34,.65,;5.83,.26,)|
BDBM160702 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3ccc(OC)cc23)CC1 |t:17,(6.48,-2.89,;5.15,-3.66,;3.81,-2.89,;2.48,-3.66,;1.38,-2.58,;-.11,-2.2,;-1.01,-3.45,;-2.48,-2.97,;-3.81,-3.74,;-5.15,-2.97,;-5.15,-1.43,;-6.48,-.66,;-3.81,-.66,;-2.48,-1.43,;-1.01,-.96,;.45,-.48,;.45,1.06,;1.78,1.83,;-1.01,1.53,;-1.64,2.94,;-3.17,3.1,;-4.08,1.86,;-5.57,2.26,;-5.96,3.74,;-3.45,.45,;-1.92,.29,;1.22,-1.43,;2.32,-2.58,)|
BDBM160703 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(OC)cc23)C#CC2CC2)CC1 |t:16,(8.58,-2.41,;7.25,-3.18,;5.92,-2.41,;4.58,-3.18,;3.49,-2.1,;1.99,-1.72,;1.09,-2.97,;-.38,-2.49,;-1.71,-3.26,;-3.04,-2.49,;-3.04,-.95,;-1.71,-.18,;-.38,-.95,;1.09,-.48,;-.11,.49,;.44,1.93,;-.33,3.26,;1.98,1.85,;3.07,2.94,;4.56,2.54,;4.96,1.05,;6.44,.65,;7.53,1.74,;3.87,-.04,;2.38,.36,;-4.38,-.18,;-5.71,.59,;-7.04,1.36,;-7.81,2.69,;-8.58,1.36,;3.33,-.95,;4.42,-2.1,)|
BDBM160704 COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3ccc(cc23)C(F)(F)F)CC1 |t:17,(6.57,-1.82,;5.24,-2.59,;3.9,-1.82,;2.57,-2.59,;1.48,-1.51,;-.02,-1.13,;-.57,-2.57,;-2.11,-2.49,;-3.2,-3.58,;-4.69,-3.18,;-5.08,-1.69,;-6.57,-1.29,;-3.99,-.6,;-2.51,-1,;-1.22,-.16,;-2.41,.81,;-1.86,2.24,;-2.63,3.58,;-.32,2.16,;.77,3.25,;2.25,2.85,;2.65,1.37,;1.56,.28,;.08,.68,;4.14,.97,;5.63,.57,;4.54,2.46,;3.74,-.52,;1.31,-.36,;2.41,-1.51,)|
BDBM160705 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C(F)(F)F)C#CC2CC2)CC1 |t:16,(8.58,-2.41,;7.25,-3.18,;5.92,-2.41,;4.58,-3.18,;3.49,-2.1,;1.99,-1.72,;1.09,-2.97,;-.38,-2.49,;-1.71,-3.26,;-3.04,-2.49,;-3.04,-.95,;-1.71,-.18,;-.38,-.95,;1.09,-.48,;-.11,.49,;.44,1.93,;-.33,3.26,;1.98,1.85,;3.07,2.94,;4.56,2.54,;4.96,1.05,;3.87,-.04,;2.38,.36,;6.44,.65,;7.93,.25,;6.84,2.14,;6.05,-.83,;-4.38,-.18,;-5.71,.59,;-7.04,1.36,;-7.81,2.69,;-8.58,1.36,;3.33,-.95,;4.42,-2.1,)|
BDBM160706 COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)c3ccccc23)CC1 |t:22,(8.58,-2.41,;7.25,-3.18,;5.92,-2.41,;4.58,-3.18,;3.49,-2.1,;1.99,-1.72,;1.09,-2.97,;-.38,-2.49,;-1.71,-3.26,;-3.04,-2.49,;-3.04,-.95,;-4.38,-.18,;-5.71,-.95,;-7.04,-.18,;-7.81,1.15,;-8.58,-.18,;-1.71,-.18,;-.38,-.95,;1.09,-.48,;-.11,.49,;.44,1.93,;-.33,3.26,;1.98,1.85,;3.07,2.94,;4.56,2.54,;4.96,1.05,;3.87,-.04,;2.38,.36,;3.33,-.95,;4.42,-2.1,)|
BDBM160707 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3c2cccc3F)C#CC2CC2)CC1 |t:16,(8.58,-2.99,;7.25,-3.76,;5.92,-2.99,;4.58,-3.76,;3.49,-2.68,;1.99,-2.3,;1.09,-3.55,;-.38,-3.07,;-1.71,-3.84,;-3.04,-3.07,;-3.04,-1.53,;-1.71,-.76,;-.38,-1.53,;1.09,-1.06,;-.11,-.09,;.44,1.35,;-.33,2.68,;1.98,1.27,;2.38,-.22,;3.87,-.62,;4.96,.47,;4.56,1.96,;3.07,2.36,;2.67,3.84,;-4.38,-.76,;-5.71,.01,;-7.04,.78,;-7.81,2.11,;-8.58,.78,;3.33,-1.53,;4.42,-2.68,)|
BDBM160708 COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)c3c2cccc3F)CC1 |t:22,(8.61,-1.98,;7.27,-2.75,;5.94,-1.98,;4.85,-3.07,;3.51,-2.3,;1.97,-2.3,;1.07,-3.55,;-.4,-3.07,;-1.73,-3.84,;-3.07,-3.07,;-3.07,-1.53,;-4.4,-.76,;-5.73,-1.53,;-7.07,-.76,;-7.84,.57,;-8.61,-.76,;-1.73,-.76,;-.4,-1.53,;1.07,-1.06,;-.13,-.09,;.42,1.35,;-.35,2.68,;1.96,1.27,;2.36,-.22,;3.85,-.62,;4.93,.47,;4.54,1.96,;3.05,2.36,;2.65,3.84,;3.06,-1.22,;4.4,-1.98,)|
BDBM160710 COC1CCC2(Cc3ccc(cc3C22N=C(N)c3cc(ccc23)C#N)C#CC2CC2)CC1 |t:16,(8.61,-2.12,;7.27,-2.89,;5.94,-2.12,;4.85,-3.21,;3.51,-2.45,;1.97,-2.45,;1.07,-3.7,;-.4,-3.22,;-1.73,-3.99,;-3.07,-3.22,;-3.07,-1.68,;-1.73,-.91,;-.4,-1.68,;1.07,-1.2,;-.13,-.24,;.42,1.2,;-.35,2.54,;1.96,1.12,;3.05,2.21,;4.54,1.81,;4.93,.32,;3.85,-.76,;2.36,-.37,;5.63,2.9,;6.71,3.99,;-4.4,-.91,;-5.73,-.14,;-7.07,.63,;-7.84,1.96,;-8.61,.63,;3.06,-1.36,;4.4,-2.12,)|
BDBM50210579 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50210580 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)P(O)(=O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50137689 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1
BDBM50137690 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50108524 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50135169 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
BDBM50135171 O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1
BDBM50231698 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)CCCC(C)C)N1CCCC1=O |w:24.26|
BDBM50231699 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)N1CCCC1=O
BDBM50100439 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50100440 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)C(O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50100436 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50067880 COc1c2ccoc2cc2oc(=O)ccc12
BDBM50180399 Brc1ccc(N2CCN(CC2)S(=O)(=O)c2cccs2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1
BDBM50042949 Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
BDBM50067040 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
BDBM50209569 Oc1c2ccoc2cc2oc(=O)ccc12
BDBM47353 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
BDBM50137683 CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137684 CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50154591 Nc1ccc2cc(Br)ccc2n1
BDBM50137686 CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137687 COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137688 COCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137693 CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50240868 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2ccc(=O)oc12
BDBM50274097 CC(C)[C@H](NC(=O)C[C@@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
BDBM50274098 COC(=O)c1cc(NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc(c1)C(=O)OC |r|
BDBM50274099 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r|
BDBM50274100 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r|
BDBM50274101 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r|
BDBM50274109 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1ccc(cc1)C(O)=O |r|
BDBM50274110 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)C(=O)N[C@H](C)c1ccccc1)C(=O)NCc1ccc(cc1)C(O)=O |r|
BDBM50156010 CSCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50258849 COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1csc(N)n1
BDBM50276561 CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1 |r|
BDBM50108542 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC1CCCCC1)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50196755 CCCCS(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196756 CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196757 CCCCS(=O)(=O)C[C@@H](NC(=O)c1ncc[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196758 CCCCS(=O)(=O)CC(NC(=O)OCCC#N)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50180391 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1ccc2ccccc2n1
BDBM50180392 Brc1ccc(N2CCNCC2)c(NC(=O)c2ccc3ccccc3n2)c1
BDBM50180393 COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)cc(=O)oc2c1
BDBM50231498 COc1cccc(c1)-c1ccc(-c2ccc(Oc3ccc(cc3)C(C)=O)cc2)n1CC(=O)NC(N)=N
BDBM50231499 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCc2ccc(cc2)C#N)cc1)-c1ccccc1
BDBM50231504 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1ccc(F)cc1
BDBM50137691 CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)C(C)(C)O
BDBM50128037 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50128032 CSCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50128033 CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50128034 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(Cc1ccccc1)C(O)=O
BDBM50274090 COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1 |r|
BDBM50274091 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O |r|
BDBM50141553 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
BDBM50259983 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1
BDBM50227337 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC |r|
BDBM50227345 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1 |r|
BDBM50196748 CCCCS(=O)(=O)C[C@@H](NC(=O)COC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196749 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50227347 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1 |r|
BDBM50137678 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50137679 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1
BDBM50137680 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(F)(F)C(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1
BDBM50137681 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1
BDBM50137682 COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137692 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(F)(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1
BDBM50188338 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
BDBM50188339 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
BDBM50128035 CC(C)C[C@H](NC(=O)C(CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50128036 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1
BDBM50128044 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
BDBM50108558 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6@@H](-[#8])-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
BDBM50108559 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50137709 CC(C)[C@H](O)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137710 CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137711 CC(C)[C@H](F)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137712 CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137698 CC(C)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50108529 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50137697 CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)c1ccccc1
BDBM50137702 CC(C)[C@H](O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137703 CC(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137704 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)CC(F)(F)F)C(=O)NCc1ccncc1
BDBM50137705 CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50136354 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50156005 CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50156008 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50137699 CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50137700 CC[C@H](C)[C@H](O)C(=O)N[C@@H](CC(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CC(F)F)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50297711 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)P(O)(=O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50297712 CC(C)[C@H](NC(=O)C(C)CP(O)(O)C1=NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCCC1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,w:14.14|
BDBM50276548 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50276560 C[C@@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 |r|
BDBM50274102 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r|
BDBM50297938 C[C@@H](NC(=O)c1cc(NC(=O)C(O)(CCC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50127422 CC(C)CC(NC(=O)c1ccc(CC(C)C)cc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127423 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccc2OCOc2c1
BDBM50127424 CC(C)CC(NC(=O)Cc1cccc2ccccc12)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127425 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50127426 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50127427 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50127428 CC(C)CC(NC(=O)Cc1ccc(F)cc1F)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127429 COC(=O)[C@H]1CC(C[C@H](C1)C(=O)OC)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(O)c1cccc2ccccc12)C(C)C
BDBM50127430 CC(C)CC(NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50212193 C[C@]1(N)COCc2cc(cc(c2)C(=O)N[C@H](CCc2cccc(C1)c2)c1ccccc1)N(c1ccccc1)S(C)(=O)=O
BDBM50212198 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2F
BDBM50203985 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)c(O)c1
BDBM50297927 CC(C)[C@H](NC(=O)CCC(O)(CCc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
BDBM50127431 CC(C)CC(NC(=O)C(O)c1ccccc1Oc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50297928 COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)CCC(O)(Cc2ccccc2)C(=O)Nc2cc(cc(c2)C(=O)N[C@H](C)c2ccc(F)cc2)N(C)S(C)(=O)=O)C(C)C)cc1 |r|
BDBM50297929 COC(=O)c1ccc(NC(=O)[C@@H](NC(=O)CCC(O)(Cc2ccccc2)C(=O)Nc2cc(cc(c2)C(=O)N[C@H](C)c2ccc(F)cc2)N(C)S(C)(=O)=O)C(C)C)cc1 |r|
BDBM50297930 CC(C)[C@H](NC(=O)CCC(O)(Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
BDBM50297931 CC(C)[C@H](NC(=O)CCC(O)(Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)Nc1ccc(cc1)C(O)=O |r|
BDBM50297932 C[C@@H](NC(=O)c1cc(NC(=O)CC[C@@](O)(Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc(c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50297933 C[C@@H](NC(=O)c1cc(NC(=O)CC[C@](O)(Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc(c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50297934 C[C@@H](NC(=O)c1cc(NC(=O)CCC(O)(CCc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc(c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50297935 CC(C)[C@H](NC(=O)C(O)(CCC(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)CCc1ccccc1)C(=O)NCc1ccccc1 |r|
BDBM50297936 CC(C)[C@H](NC(=O)C(O)(CCC(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)CCc1ccccc1)C(=O)Nc1ccccc1 |r|
BDBM50139109 CC(C)CNC(=O)[C@H](CCOC(C)=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O
BDBM50139110 CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O)C(=O)NCC(C)C
BDBM50139111 CC(C)CNC(=O)[C@H](CCC(O)=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O
BDBM50139112 CC(C)CNC(=O)[C@H](CCO)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O
BDBM50274103 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r|
BDBM50210722 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O
BDBM50231951 CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18|
BDBM50231680 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCC1=O
BDBM50231681 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1)N1CCCC1=O
BDBM50231682 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
BDBM50231683 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)COCC(C)C)N1CCCC1=O
BDBM50231684 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCCCC(C)C)N1CCCC1=O
BDBM50231685 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(c1)C(F)(F)F)N1CCCC1=O
BDBM50231686 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cc(OC)cc(OC)c1)N1CCCC1=O
BDBM50231687 CCCCCC(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(c1)N1CCCC1=O
BDBM50231688 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C)N1CCCC1=O
BDBM50231938 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C
BDBM50231939 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2nc(C)oc2C)N(C)S(C)(=O)=O)c1 |w:32.34|
BDBM50231940 CC(C)NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(C)C
BDBM50231941 CC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O
BDBM50231931 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)NCc2nc(C)oc2C)N(C)S(C)(=O)=O)c1
BDBM50231932 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc2ccn(c2c1)S(C)(=O)=O)N(C)S(C)(=O)=O)c1ccccc1
BDBM50231933 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc2cc[nH]c2c1)N(C)S(C)(=O)=O)c1ccccc1
BDBM50277599 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50254707 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccsc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
BDBM50254708 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
BDBM50254709 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#Cc1ccccc1)c1ccccc1 |r|
BDBM50254710 C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(Cc2ccccc2)nn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
BDBM50231674 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCCC1)N1CCCC1=O
BDBM50231675 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCC1)N1CCCC1=O
BDBM50212197 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccc(F)cc1)c3)S(C)(=O)=O
BDBM50212196 CN(C)S(=O)(=O)N(C)c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3
BDBM50242014 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10|
BDBM50210714 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50070942 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
BDBM50134703 C(CN1CCCCC1)C1CCc2cc(OCc3ccc(cc3)-c3ccccc3)ccc2C1
BDBM50134704 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN)C(O)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50134705 COC(=O)c1cc(NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(O)c2ccccc2-c2ccccc2)C(C)C)cc(c1)C(=O)OC
BDBM50212174 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O
BDBM50212175 C[C@@]1(N)Cc2ccc(F)c(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1cccc(F)c1C#N)c1ccc(F)cc1)c2
BDBM50212176 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@H](C)NC(=O)c(c2)c1)c3)S(C)(=O)=O
BDBM50134706 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
BDBM50231934 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1
BDBM50231935 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc2nc(C)oc2C)c1
BDBM50231936 COc1cccc(CNC[C@@H](O)[C@H](CC(C)C)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1
BDBM50231937 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1
BDBM50242015 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])cc1-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2=O
BDBM50210709 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O
BDBM50210710 CCCN(CCC)C(=O)c1cc(CC#N)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50210711 CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C#N
BDBM50210712 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50210713 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)OCC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50210715 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50210716 CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O
BDBM50210717 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50148338 CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50148339 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50148337 CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50216179 CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1
BDBM50155988 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)C(O)CN[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50155994 CC(C)C[C@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50155995 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50221539 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCN(Cc4ccccc4)c(c2)n1)c3)S(C)(=O)=O
BDBM50221540 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCCc(c2)n1)c3)S(C)(=O)=O
BDBM50221541 C[C@@H](NC(c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccc(F)cc1)N(C)S(C)(=O)=O)C(F)(F)F)c1ccc(F)cc1 |w:3.2|
BDBM50221542 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCNc(c2)n1)c3)S(C)(=O)=O
BDBM50221543 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCN(CC4CC4)c(c2)n1)c3)S(C)(=O)=O
BDBM50221544 CC(C)N1CCCCc2cccc(C[C@@](C)(N)C(=O)OCc3cc(nc1c3)N(C)S(C)(=O)=O)c2
BDBM50221545 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(c(c2)c1)C(F)(F)F)c1ccccc1)c3)S(C)(=O)=O |w:22.27|
BDBM50307352 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCC=C)C(=O)NCc1ccccc1 |r|
BDBM50196574 CCCCN(CCCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50196575 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)c2ccccc2)c1
BDBM50196576 CCCN(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50196577 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)N2CCCCC2)c1
BDBM50196578 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50196579 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(C)(=O)=O)c1
BDBM50196580 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)NCCC(C)C)c1
BDBM50196581 CCCN(CCC)S(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50196582 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(I)c1
BDBM50196583 CCCC(C)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |w:3.3|
BDBM50196584 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)N2CCCCC2)c1
BDBM50196585 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)CCC(C)C)c1
BDBM50196586 CCCC(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50196587 CCCC(CCC)S(=O)(=O)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
BDBM50297925 CC(C)[C@H](NC(=O)CCC(O)(Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
BDBM50297926 CC(C)[C@H](NC(=O)CCC(O)(CCc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
BDBM50276542 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 |r|
BDBM50276558 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O |r|
BDBM50277595 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50212177 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ncco1)c1ccccc1)c2
BDBM50212178 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O
BDBM50129952 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
BDBM50210718 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C#N
BDBM50210719 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C(O)=O
BDBM50210720 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccc(O)cc1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O
BDBM50210721 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1)C(N)=O
BDBM50157300 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)C(NC(=O)OCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
BDBM50254784 C[C@@H](NC(=O)c1cc2OCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
BDBM50196750 CCCCS(=O)(=O)C[C@@H](NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196751 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50174558 Oc1ccc2ccc(=O)oc2c1
BDBM50196752 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196753 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196754 CCCCS(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50180394 COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCNCC3)cc(=O)oc2c1
BDBM50180395 COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)S(=O)(=O)c3cccs3)cc(=O)oc2c1
BDBM50247722 NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1
BDBM50141550 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM50180398 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc(=O)c2ccccc2o1
BDBM50276826 Oc1cc(O)c(Oc2cc(O)c3Oc4c(Oc5cc(O)cc(O)c5)c(O)cc(O)c4Oc3c2)c(O)c1
BDBM50276556 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50276557 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50276616 C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 |r|
BDBM50252521 [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
BDBM50137706 CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCCF)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCCF)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137707 CSCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137708 CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCC(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCC(F)F)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50196743 CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196744 CCCCS(=O)(=O)C[C@@H](NC(=O)OCC(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196745 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196746 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50196747 CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(O)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
BDBM50041234 COc1c2occc2cc2ccc(=O)oc12
BDBM50180396 Brc1ccc(N2CCNCC2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1
BDBM50226440 CN1C(N)=NC(C)(CC1=O)c1ccc(Cl)c(Cl)c1 |c:3|
BDBM50226441 Cn1c(N)nc(CCc2ccc3ccccc3c2)cc1=O
BDBM50226442 COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:24|
BDBM50226443 Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O
BDBM50226444 Cn1c(N)nc(CCc2cccc(c2)-c2ccc[nH]2)cc1=O
BDBM50221536 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCC(CCc(c2)n1)c1ccccc1)c3)S(C)(=O)=O |w:20.27|
BDBM50221537 CC1CCc2cccc(C[C@@](C)(N)C(=O)OCc3cc(CC1)nc(c3)N(C)S(C)(=O)=O)c2 |w:1.0|
BDBM50141551 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
BDBM50141552 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O
BDBM50212189 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2
BDBM50212190 C[C@@]1(N)Cc2ccc(F)c(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2
BDBM50212191 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C(C)C)c3)S(C)(=O)=O
BDBM50212192 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1cccc(F)c1C#N)c1ccc(F)cc1)c2
BDBM50231475 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1csc2ccccc12
BDBM50231476 Cc1cccc(c1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
BDBM50231477 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccccc1
BDBM50231478 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3cccc(F)c3)n2CC(=O)NC(N)=N)cc1
BDBM50108525 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
BDBM50108526 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50261631 CCC(C)C1NC(=O)C(SCc2cccc(c2)C(F)(F)F)C1=O
BDBM50108518 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50108519 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)OC(C)=O
BDBM50108520 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108521 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O
BDBM50108522 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O)C(C)(C)C
BDBM50231479 COc1cccc(c1)C(=O)Nc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
BDBM50231481 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2cccc(Br)c2)cc1)-c1ccccc1
BDBM50231482 COc1ccccc1-c1ccc(-c2ccc(Oc3ccc(cc3)C(C)=O)cc2)n1CC(=O)NC(N)=N
BDBM50231483 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3)n2CC(=O)NC(N)=N)cc1
BDBM50231484 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccc(F)cc3)n2CC(=O)NC(N)=N)cc1
BDBM50231485 CCCCOc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
BDBM50231486 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCC=C)cc1)-c1ccccc1
BDBM50231487 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCCCC#N)cc1)-c1ccccc1
BDBM50231488 CCOc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
BDBM50226447 CN1C(=O)CC(C)(N=C1N)c1ccccc1 |c:7|
BDBM50240512 [#6]-[#8]-c1ccc2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50258845 Nc1nc(cs1)C1(CCCC1)c1ccccc1
BDBM50258846 Nc1nc(cs1)C1(CCCC1)c1ccc(Cl)cc1
BDBM50258847 COc1ccc(cc1)C1(CCCC1)c1csc(N)n1
BDBM50258848 COc1ccc(cc1)C(Cc1ccccc1)c1csc(N)n1
BDBM50276538 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 |r|
BDBM50276539 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NCC1CCN(Cc2ccccc2)CC1 |r|
BDBM50276540 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NCCC1CCN(Cc2ccccc2)CC1 |r|
BDBM50271628 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50271629 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r|
BDBM50271630 COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50313888 C[C@@H](NC(=O)c1cc(CNC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313889 C[C@@H](NC(=O)c1cc(COC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50231497 COc1cccc(c1)-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N
BDBM50231470 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccc(cc3)C(F)(F)F)n2CC(=O)NC(N)=N)cc1
BDBM50231472 NC(=N)NC(=O)Cn1c(ccc1-c1cc(Cl)ccc1Cl)-c1ccccc1
BDBM50231473 NC(=N)NC(=O)Cn1c(ccc1-c1cccc(F)c1)-c1ccc(Oc2ccccc2)cc1
BDBM50231474 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccc(F)cc1
BDBM50221538 CC1CCc2cccc(C[C@@](C)(N)C(=O)OCc3cc(CC1)cc(c3)N(C)S(C)(=O)=O)c2 |w:1.0|
BDBM50313890 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NCC(O)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313891 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)OCC(O)(CN)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313892 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313893 CNC(CO)(COC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1 |r|
BDBM50313894 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc([nH]1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313895 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(o1)C(C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313896 C[C@@H](NC(=O)c1cc(cc(c1)-c1ncc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313897 C[C@@H](NC(=O)c1cc(COC(=O)C(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313898 C[C@@H](NC(=O)c1cc(CNC(=O)C(C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313899 C[C@@H](NC(=O)c1cc(CNC(=O)C(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313900 C[C@@H](NC(=O)c1cc(COCC(N)(Cc2ccccc2)C(F)F)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313901 C[C@@H](NC(=O)c1cc(COCC(N)(CF)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313902 CCC(N)(COCc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1 |r|
BDBM50313903 C[C@@H](NC(=O)c1cc(COC[C@H](N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313904 COCC(N)(COCc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1 |r|
BDBM50313905 C[C@@H](NC(=O)c1cc(cc(c1)S(=O)(=O)CCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313912 C[C@@H](NC(=O)c1cc(cc(c1)-n1cc(nn1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50231489 NC(=N)NC(=O)Cn1c(ccc1-c1cccc(c1)C#N)-c1ccc(Oc2ccccc2)cc1
BDBM50231490 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1ccccc1
BDBM50231491 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2ccc(Br)cc2)cc1)-c1ccccc1
BDBM50231492 COc1ccc(cc1)-c1ccc(-c2ccc(Oc3ccc(cc3)C(C)=O)cc2)n1CC(=O)NC(N)=N
BDBM50231493 NC(=N)NC(=O)Cn1c(ccc1-c1cccc(Cl)c1)-c1ccc(Oc2ccccc2)cc1
BDBM50231494 COc1ccccc1-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N
BDBM50231495 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(cc1)C(F)(F)F)-c1ccc(Oc2ccccc2)cc1
BDBM50231496 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3cccc(c3)C#N)n2CC(=O)NC(N)=N)cc1
BDBM50314993 Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO
BDBM50314994 Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO
BDBM50315003 Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1
BDBM50315004 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1
BDBM50315005 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
BDBM50315006 COc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
BDBM50315007 Nc1cccc(Cn2c(ccc2-c2ccccc2)-c2ccccc2)n1
BDBM50315008 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCCO)c(N)n1
BDBM50315016 CCCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
BDBM50314995 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1
BDBM50314996 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(OCCO)c(N)n1
BDBM50314997 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Nc3cncnc3)cc2)n1
BDBM50314998 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccs3)cc2)n1
BDBM50314999 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cnccn3)cc2)n1
BDBM50315000 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)n1
BDBM50315001 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1
BDBM50315002 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccc3)cc2)n1
BDBM50315009 CCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
BDBM50315010 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccnn3)cc2)n1
BDBM50315011 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccn3)cc2)n1
BDBM50315012 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccnc3)cc2)n1
BDBM50315013 Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CCC2)-c2ccccc2)n1
BDBM50315014 Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CC2)-c2ccccc2)n1
BDBM50315015 CC(C)NC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
BDBM50315017 CCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
BDBM50315018 CCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
BDBM50315019 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
BDBM50137694 CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1ccccc1
BDBM50137695 CC[C@H](C)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50137696 CC(C)C[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50231689 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(Cl)c1)N1CCCC1=O
BDBM50231690 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCc2ccccc12)N1CCCC1=O
BDBM50307375 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)Nc1ccccc1 |r|
BDBM50307376 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCc1ccccc1 |r|
BDBM50254747 C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)c2cc(C)oc2c1)c1ccccc1 |r|
BDBM50300708 CCCc1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccc(OC(F)(F)F)cc1 |t:11,18|
BDBM50300709 NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 |t:1,4|
BDBM50300710 NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 |t:1,4|
BDBM50300711 NC1=NC(C2=NOCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4|
BDBM50300712 NC1=NC(\C2=N\CCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4|
BDBM50300713 NC1=NC(C2=NCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4|
BDBM50300719 NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1,4|
BDBM50300720 COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F |t:10,17|
BDBM50300721 COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cncnc1 |t:10,17|
BDBM50300722 NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(CCC2CC2)c1 |t:1,4|
BDBM50300723 CC(C)(C)c1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccccc1 |t:12,19|
BDBM50300724 CC1(C)CN2C(N)=NC(C2=N1)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |c:6,10|
BDBM50274111 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
BDBM50316863 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(Cl)cc1Cl |r|
BDBM50316864 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |r|
BDBM50316865 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
BDBM50316866 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50316867 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
BDBM50318123 NC1=Nc2ccc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
BDBM50318124 NC1=Nc2ccc3Oc4cccc(CCN(C5CCOCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
BDBM50318125 CC(C)[C@@H]1CCC(=O)N(CCc2cccc(Oc3ccc4N=C(N)N1Cc4c3)c2)C1CCCCC1 |r,t:21|
BDBM50318126 NC1=Nc2ccc3Oc4cccc(CCCN(C5CCCCC5)C(=O)CC[C@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
BDBM50318127 NC1=Nc2ccc3Oc4cccc(CCCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
BDBM50320692 Cc1ccc(cc1)C(=O)Nc1cccc(NC(=O)C[n+]2ccccc2)c1
BDBM50320693 NC(=O)c1ccc[n+](CC(=O)Nc2cccc(c2)C(=O)Nc2ccc(Cl)cc2)c1
BDBM50320694 COc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3cccc(c3)C(N)=O)c2)cc1
BDBM50320695 NC(=O)c1ccc[n+](CC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1
BDBM50308717 [#6]-[#8]-[#6](=O)-[#6]-[#6]-c1c(-[#8]-[#6])cc2occc2c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50308718 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c(-[#6]-[#6]-[#6](-[#8])=O)c(-[#8])cc2occc12
BDBM50308719 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
BDBM50308720 [#6]-[#8]-[#6](=O)-[#6]-[#6]-c1c(-[#8])cc2occc2c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50308721 [#6]-[#8]-c1cc2occc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#6]-[#6]-[#6](-[#8])=O
BDBM50316858 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1 |r|
BDBM50318128 CC(C)[C@@H]1CCC(=O)N(CCc2cccc(Oc3ccc4N=C(N)N1Cc4c3)c2)C1CCOCC1 |r,t:21|
BDBM50318129 NC1=Nc2ccc3Oc4cccc(CCN([C@H]5CC[C@H](CC5)C(O)=O)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,wU:29.30,wD:16.15,19.22,t:1,(9.57,-14.62,;8.24,-13.86,;6.9,-14.63,;5.57,-13.86,;4.24,-14.63,;2.9,-13.86,;2.9,-12.32,;1.57,-11.53,;1.58,-10.06,;.25,-9.29,;.25,-7.75,;1.58,-6.98,;2.91,-7.74,;4.34,-6.99,;5.68,-7.8,;7.07,-7.05,;7.1,-5.51,;8.45,-4.78,;8.49,-3.25,;7.18,-2.44,;5.83,-3.17,;5.78,-4.72,;7.22,-.9,;8.58,-.16,;5.91,-.09,;8.4,-7.86,;9.75,-7.12,;8.37,-9.43,;9.68,-10.23,;9.64,-11.68,;10.91,-12.54,;10.93,-14.06,;12.26,-14.82,;13.58,-14.04,;13.57,-12.5,;12.23,-11.74,;8.23,-12.3,;6.9,-11.54,;5.57,-12.31,;4.23,-11.55,;2.92,-9.29,)|
BDBM50320575 CC(C)OC(=O)CN1C=C(C(C)C(=C1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)NC(C)c1ccccc1 |r,c:8,12|
BDBM50320576 CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)NC(C)c1ccccc1 |r,c:4,14|
BDBM50320696 Cc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3cccc(c3)C(=O)NCCc3ccccc3)c2)cc1
BDBM50320697 Clc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3cccc(c3)C(=O)NCCc3ccccc3)c2)cc1
BDBM50320698 Cc1ccc(cc1)C(=O)Nc1cccc(NC(=O)C[n+]2cccc(c2)C(=O)NCCc2ccccc2)c1
BDBM50320570 CC(C)OC(=O)CN1C=C(C(C)C(C(C)=O)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(F)c1 |r,c:8,15|
BDBM50320571 COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C2=CN(CC(=O)OC(C)C)C(C)=C(C2C)C(C)=O)c1 |r,c:35,t:24|
BDBM50320572 CC(C)OC(=O)CN1C=C(C(C)C(=C1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:8,12|
BDBM50320573 CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:4,14|
BDBM50320574 CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1 |r,c:4,14|
BDBM50317028 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(C)cc1 |r|
BDBM50318130 NC1=Nc2ccc3Oc4cccc(CCN([C@H]5CC[C@@H](CC5)C(O)=O)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,wU:29.30,19.22,wD:16.15,t:1,(5.63,-16.54,;4.29,-15.78,;2.95,-16.55,;1.62,-15.78,;.29,-16.55,;-1.05,-15.78,;-1.04,-14.24,;-2.38,-13.45,;-2.37,-11.98,;-3.7,-11.21,;-3.7,-9.67,;-2.37,-8.9,;-1.04,-9.66,;.39,-8.91,;1.74,-9.72,;3.12,-8.97,;3.15,-7.43,;4.51,-6.7,;4.54,-5.17,;3.23,-4.36,;1.88,-5.09,;1.84,-6.64,;3.27,-2.82,;4.63,-2.08,;1.96,-2.01,;4.45,-9.78,;5.8,-9.04,;4.42,-11.35,;5.73,-12.15,;5.69,-13.6,;6.96,-14.46,;6.98,-15.99,;8.31,-16.74,;9.63,-15.96,;9.62,-14.42,;8.28,-13.66,;4.29,-14.23,;2.95,-13.46,;1.62,-14.23,;.28,-13.47,;-1.03,-11.21,)|
BDBM50318131 NC1=Nc2cc(F)c3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
BDBM50318132 COc1cc2N=C(N)N3Cc2cc1Oc1cccc(CCN(C2CCCCC2)C(=O)CC[C@H]3C2CCCCC2)c1 |r,t:5|
BDBM50318133 NC1=Nc2cnc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
BDBM50317025 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1 |r|
BDBM50317037 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cnc(C)n1C |r|
BDBM50317038 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cn(C)cn1 |r|
BDBM50317039 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccs1 |r|
BDBM50317040 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccncc1 |r|
BDBM50317041 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cnoc1C |r|
BDBM50317042 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1sc(C)nc1C |r|
BDBM50317043 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1c(C)nn(C)c1C |r|
BDBM50317044 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1c(C)noc1C |r|
BDBM50317055 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1 |r|
BDBM50317056 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(Cl)c1 |r|
BDBM50317057 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccn1 |r|
BDBM50317058 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)s1 |r|
BDBM50277597 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50277594 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50321124 C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(OCCO)cccc3cc21 |r,t:9|
BDBM50321125 C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(O)cccc3cc21 |r,t:9|
BDBM50220309 CCCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
BDBM50220310 CCC(CC)NC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
BDBM50220311 CCCOc1ccc(-c2scc(c2CC(=O)NC(=N)NCCCO)-c2ccccc2Cl)c(C)c1
BDBM50220317 NC(=N)NC(=O)Cc1c(csc1-c1ccccc1)-c1ccccc1
BDBM50220318 CC(=O)c1ccc(Oc2ccc(cc2)-c2scc(c2CC(=O)NC(N)=N)-c2ccccc2Cl)cc1
BDBM50220319 CCCOc1ccc(cc1)-c1csc(c1CC(=O)NC(N)=N)-c1ccccc1Cl
BDBM50317026 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1C |r|
BDBM50317029 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1Cl |r|
BDBM50317030 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(Cl)c1 |r|
BDBM50317031 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM50317032 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(OC)c1 |r|
BDBM50317033 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(OC)cc1 |r|
BDBM50317034 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(cc1)C#N |r|
BDBM50317035 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
BDBM50317036 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(OC)c(OC)c1 |r|
BDBM50317045 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccnc1 |r|
BDBM50317046 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O |r|
BDBM50317047 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)CCC |r|
BDBM50317048 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 |r|
BDBM50317049 COC[C@H]1CCCN1C(=O)CCCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 |r|
BDBM50317050 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N1CCCCS1(=O)=O)c1ccccc1 |r|
BDBM50317051 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N1CCCCS1(=O)=O |r|
BDBM50317052 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N(C)S(C)(=O)=O |r|
BDBM50317053 CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 |r|
BDBM50317054 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 |r|
BDBM50277598 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50320600 O=C(CCCCC1SCCS1)N1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
BDBM50320604 Cc1cc(Br)c(Nc2nc(CN3CCOCC3)nc(N=NCc3cc(I)cc(C)c3O)n2)cc1Cl |w:19.19|
BDBM50320605 COc1cc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCOCC2)cc(Br)c1O |w:7.7|
BDBM50320606 Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 |w:11.12|
BDBM50320607 Cc1ccc(Nc2nc(CN3CCOCC3)nc(N=NCc3cc(Br)cc(Br)c3O)n2)cc1 |w:18.18|
BDBM50320608 CN(C)c1nc(N=NCc2cc(I)cc(I)c2O)nc(n1)N1CCOCC1 |w:6.5|
BDBM50320609 Oc1c(I)cc(I)cc1CN=Nc1nc(Nc2cccc3ccccc23)nc(n1)N1CCOCC1 |w:11.12|
BDBM50320610 Oc1c(I)cc(I)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 |w:11.12|
BDBM50320611 Oc1c(Br)cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Br |w:8.8|
BDBM50320612 Cc1ccc(C)c(Nc2nc(N=NCc3cc(Br)cc(Br)c3O)nc(n2)N2CCOCC2)c1 |w:11.10|
BDBM50321126 C[C@@]12CC[C@@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(OCCO)cccc3cc21 |r,t:9|
BDBM50321127 C[C@@]12CC[C@@H](O)[C@@H]3COC(=C13)C(=O)c1cc3ccccc3cc21 |r,t:9|
BDBM50269559 Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM50317027 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 |r|
BDBM50321128 COc1cccc2cc3C(=O)C4=C5[C@@H](CO4)[C@@H](O)CC[C@@]5(C)c3cc12 |r,t:11|
BDBM50321129 C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3cccc(O)c3cc21 |r,t:9|
BDBM50321130 C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3ccccc3cc21 |r,t:9|
BDBM50321131 C[C@@]12CCCc3coc(c13)C(=O)c1cc3ccccc3cc21 |r|
BDBM50310823 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
BDBM50320613 Cc1ccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3O)nc(n2)N2CCOCC2)cc1Cl |w:9.8|
BDBM50320614 Clc1ccc(CNc2nc(N=NCc3ccc(Cl)cc3)nc(n2)N2CCOCC2)cc1 |w:10.9|
BDBM50320615 Cc1ccc(C)c(Nc2nc(N=NCc3cc(Br)c(O)c(Br)c3C)nc(n2)N2CCOCC2)c1 |w:11.10|
BDBM50320616 Clc1nc(NCCN2CCOCC2)nc(NCc2ccc(I)cc2)n1
BDBM50320617 Clc1ccc(cc1)C1SCC(=O)N1Nc1nc(Nc2ccccc2)nc(n1)N1CCCCC1
BDBM50320618 CCOc1nc(NCCN2CCOCC2)nc(NNc2ccc(I)cc2C)n1
BDBM50320619 COc1nc(NCCN2CCOCC2)nc(Nc2ccc(I)cc2)n1
BDBM50320620 Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Cl |w:7.7|
BDBM50320621 Cc1ccc(Nc2nc(N=NCc3cccc(Br)c3)nc(n2)N2CCOCC2)cc1 |w:9.8|
BDBM50320622 Cc1ccc(Nc2nc(N=NCc3ccc(Cl)c(Cl)c3)nc(n2)N2CCOCC2)c(Cl)c1 |w:9.8|
BDBM50320623 Clc1ccc(CN=Nc2nc(Nc3cccc(Br)c3)nc(n2)N2CCOCC2)cc1 |w:7.7|
BDBM50320624 Oc1c(I)cc(I)cc1CN=Nc1nc(NCc2ccccc2)nc(n1)N1CCOCC1 |w:11.12|
BDBM50320625 FC(F)(Cl)Oc1ccc(Nc2nc(NCc3ccccc3)nc(n2)N2CCCCC2)cc1
BDBM50320626 OC(=O)c1cc(ccc1O)-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(n2)N2CCCCC2)o1 |w:16.17|
BDBM50320627 OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)o1 |w:16.17|
BDBM50320628 COc1cc(CN=Nc2nc(Nc3ccc(F)cc3)nc(n2)N2CCCCC2)ccc1OCC(O)=O |w:6.5|
BDBM50254711 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCS1(=O)=O)c1ccccc1 |r|
BDBM50254712 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O)c1ccccc1 |r|
BDBM50254713 C[C@@H](NC(=O)c1cc(cc2oc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
BDBM50254714 C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
BDBM50319628 Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2)c(O)c1
BDBM50319629 Oc1cc(O)c2oc3c(oc2c1)c(O)cc1oc2c(O)cc(O)cc2oc31
BDBM50320638 CCc1cc(=O)oc2c(C)c(OC(=O)NCC(=O)NCC(O)=O)ccc12
BDBM50320639 Cc1c(O)ccc2c(C)c(CC(=O)N[C@H](CCCNC(N)=O)C(O)=O)c(=O)oc12 |r|
BDBM50320640 CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(O)=O)ccc12
BDBM50320641 Cc1cc(O)c2c(C)c(CC(=O)N[C@H](CCCNC(N)=O)C(O)=O)c(=O)oc2c1 |r|
BDBM50320642 Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(O)=O)c(=O)oc2cc(O)ccc12 |r|
BDBM50320643 CCN1CCCC1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O
BDBM50320644 CCCCCCc1nc2ccccc2c(=O)n1NC(O)c1c(O)c2cccc3CCCn(c23)c1=O
BDBM50320645 CCc1ccc(cc1)N1C(=O)Nc2ccc(Br)cc2C1(O)C(=O)NCc1ccccc1
BDBM50320646 Oc1c(I)cc(I)cc1C=NNC(=O)CN1CCN(Cc2ccccc2)CC1 |w:9.9|
BDBM50320647 FC(F)(F)C(F)(F)C(F)(F)Sc1ccccc1NC(=O)CC1Sc2ccccc2NC1=O
BDBM50320648 Oc1c(cnc2ccc(cc12)S(=O)(=O)NC1CCCCNC1=O)C(=O)NCc1ccccc1
BDBM50320649 CCN1CCCC1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1cccc(Br)c1)c2=O
BDBM50320650 Clc1ccc(CCNC(=O)c2ccc(Cn3c(=S)[nH]c4ccc(cc4c3=O)N3CCOCC3)cc2)cc1
BDBM50320651 CCSc1sc(CC)cc1C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(C)cn1 |c:21,24|
BDBM50255007 NCCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1cccc2ccccc12
BDBM50255008 Brc1ccc(OCCNC2CCCCC2)c(NC(=O)Cc2cccc3ccccc23)c1
BDBM50313906 C[C@@H](NC(=O)c1cc(SCCC(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50242377 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
BDBM50208611 [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H](-[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1-[#8])-[#6](-[#6])=[#6] |r|
BDBM50208612 [#6]-[#8]-c1cc(-[#8])c(-[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1-[#8] |r|
BDBM50313796 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(C)=O |r|
BDBM50313797 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)C(C)C |r|
BDBM50313798 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM50313887 C[C@@H](NC(=O)c1cc(CCC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313907 C[C@@H](NC(=O)c1cc(NCCC(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313908 C[C@@H](NC(=O)c1cc(OCCC(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313909 C[C@@H](NC(=O)c1cc(cc(c1)-c1nc(no1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313910 C[C@@H](NC(=O)c1cc(cc(c1)-c1noc(n1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50313911 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(s1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50314601 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccsc1 |c:3|
BDBM50314602 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccoc1 |c:3|
BDBM50314603 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1F |c:3|
BDBM50314604 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |c:3|
BDBM50314605 CN1C(N)=N[C@@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3|
BDBM50314606 CN1C(N)=N[C@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3|
BDBM50314607 COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccncc1 |t:17|
BDBM50314608 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(OC(F)(F)F)c1 |c:3|
BDBM50314609 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(c1)C#N |c:3|
BDBM50314610 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1 |c:3|
BDBM50314611 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1F |c:3|
BDBM50314612 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cnccn1 |c:3|
BDBM50313799 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)[C@@H](NC(C)=O)C(C)C |r|
BDBM50313800 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C(C)(C)NC(C)=O |r|
BDBM50313801 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C1(CCCC1)NC(C)=O |r|
BDBM50313806 CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCCC2=O)c1 |r|
BDBM50258278 COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1
BDBM50258279 COc1ccc(cc1F)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1
BDBM50258280 COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cn(C)c(N)n1
BDBM50259982 Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
BDBM50276554 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50276555 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
BDBM50274096 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
BDBM50317059 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cn(C)cn1 |r|
BDBM50317060 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)Cc1ccccc1 |r|
BDBM50317061 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)C1CC1 |r|
BDBM50317062 COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O |r|
BDBM50317063 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)C(=O)c1ccccc1 |r|
BDBM50317064 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CNCCN1 |r|
BDBM50317065 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2)CCN1 |r|
BDBM50292574 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2ccc(=O)oc2cc1-[#8]
BDBM50292575 CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|
BDBM50317669 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 |r|
BDBM50317670 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 |r|
BDBM50317671 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1 |r|
BDBM50317672 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1 |r|
BDBM50271812 CCCN1CC(CN(CCC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50320629 OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(n2)N2CCOCC2)o1 |w:16.17|
BDBM50320630 OC(=O)c1cccc(c1)-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)o1 |w:15.16|
BDBM50320631 OCCNc1nc(NNC(CC(O)=O)c2ccccc2)nc(n1)N1CCOCC1
BDBM50320632 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)C(=O)N(C=C)C=C)c1ccccc1 |r|
BDBM50320633 Clc1ccccc1CNC(=O)c1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3OCCOc3c2)c1
BDBM50320634 Cc1ccc(CNC(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4OCCOc4c3)c2)cc1
BDBM50320635 Clc1ccc(CNC(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4OCCOc4c3)c2)cc1
BDBM50320636 O=C(NCc1ccccc1)c1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3OCCOc3c2)c1
BDBM50320637 Fc1ccc(CNC(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4OCCOc4c3)c2)cc1
BDBM50311847 Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(ccc3O)[N+]([O-])=O)c3ccccc23)cc1 |w:13.13|
BDBM50311848 Oc1ccc(cc1C(=O)NN=C1C(=O)N(CC(=O)NC2CCCCC2)c2ccccc12)[N+]([O-])=O |w:10.10|
BDBM50312537 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
BDBM50312538 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
BDBM50312539 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
BDBM50312540 CC(C)[C@H](NC(=O)[C@@H](C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
BDBM50312541 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50312542 CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50312543 C[C@H](C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NC1CC1 |r|
BDBM50312544 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(F)cc1 |r|
BDBM50294608 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)N |r|
BDBM50294609 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)NC(C)=O |r|
BDBM50294610 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)C(=O)N[C@H](C)c2ccccc2)c1 |r|
BDBM50294611 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)=O)c1 |r|
BDBM50294612 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)O)c1 |r|
BDBM50294613 CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(=O)N[C@H](C)c1ccccc1 |r|
BDBM50294614 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(\C)=N/OCC=C)c1 |r|
BDBM50294615 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)C(=O)NC(C)c2ccc(F)cc2)c1 |r|
BDBM50294616 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(C)=O)c1 |r|
BDBM50294617 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(C)O)c1 |r|
BDBM50294618 CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(=O)NC(C)c1ccc(F)cc1 |r|
BDBM50294627 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC(C)C)N2CCCCS2(=O)=O)c1 |r|
BDBM50294628 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N2CCCCS2(=O)=O)c1 |r|
BDBM50294629 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N(C)S(C)(=O)=O)c1 |r|
BDBM50313802 CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(C)=O)c1 |r|
BDBM50313803 CCC(=O)NC(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r|
BDBM50313804 CCC(=O)N(C)C(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r|
BDBM50313805 CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCC2=O)c1 |r|
BDBM50276559 C[C@@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 |r|
BDBM50271626 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50271627 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r|
BDBM50271631 COC[C@H]1CCCN1C(=O)c1cncc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50271632 CCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50294632 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(C)S(C)(=O)=O)C(C)N=O)c1 |r|
BDBM50294633 CO\N=C(/C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(C)S(C)(=O)=O |r|
BDBM50294634 CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(C)S(C)(=O)=O |r|
BDBM50294635 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N(C)S(C)(=O)=O)c1 |r|
BDBM50294636 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC(C)C)N(C)S(C)(=O)=O)c1 |r|
BDBM50294619 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(\C)=N/OCC=C)c1 |r|
BDBM50294620 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N2CCCCS2(=O)=O)c1 |r|
BDBM50294621 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N2CCCCS2(=O)=O)c1 |r|
BDBM50294622 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N2CCCCS2(=O)=O)C(C)O)c1 |r|
BDBM50294623 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N2CCCCS2(=O)=O)C(C)N=O)c1 |r|
BDBM50294624 CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
BDBM50294625 CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
BDBM50294626 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N2CCCCS2(=O)=O)c1 |r|
BDBM50294640 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(c2ccccc2)S(C)(=O)=O)C(C)N=O)c1 |r|
BDBM50294647 CCCN(CCC)C(=O)c1cc(Oc2ccccc2OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294648 CCCN(CCC)C(=O)c1cc(Oc2ccc(F)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294649 CCCN(CCC)C(=O)c1cc(Sc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294650 CCCN(CCC)C(=O)c1cc(Sc2ccc(OC)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294651 CCCN(CCC)C(=O)c1cc(cc(c1)S(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294660 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)O |r|
BDBM50294639 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N(c2ccccc2)S(C)(=O)=O)c1 |r|
BDBM50294641 CO\N=C(/C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O |r|
BDBM50294642 CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O |r|
BDBM50294643 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N(c2ccccc2)S(C)(=O)=O)c1 |r|
BDBM50294644 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N(c2ccccc2)S(C)(=O)=O)c1 |r|
BDBM50294645 CCCN(CCC)C(=O)c1cc(Oc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294646 CCCN(CCC)C(=O)c1cc(Oc2ccc(OC)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294661 CCCN(CCC)C(=O)c1cc(CC(C)O)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294662 CCCN(CCC)C(=O)c1cc(CCO)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294663 CCCN(CCC)C(=O)c1cc(CC(COC)OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294664 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N\OCC(C)C)N(c2ccccc2)S(C)(=O)=O)c1 |r|
BDBM50314600 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 |c:3|
BDBM50274093 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
BDBM50274094 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
BDBM50274095 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
BDBM50274092 COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc1 |r|
BDBM50276545 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50300714 NC1=NC(C2=NCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4|
BDBM50300715 CCOc1ccc(cc1OCC)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F |t:14,21|
BDBM50300716 NC1=NC(C2=NCCCN12)(c1ccc2OC(F)(F)Oc2c1)c1cccc(c1)-c1cccnc1F |t:1,4|
BDBM50300717 NC1=NC(C2=NCCCN12)(c1cccc(c1)-c1cccnc1F)c1ccc2OCCOc2c1 |t:1,4|
BDBM50300718 NC1=NC(C2=NCCCN12)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1F |t:1,4|
BDBM50154583 Cc1ccc2nc(N)ccc2c1
BDBM50154584 Nc1ccc2cc(F)ccc2n1
BDBM50249069 Oc1cc(O)cc(O)c1
BDBM50042944 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
BDBM50108527 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50108528 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50276552 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50108530 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50294652 CCCN(CCC)C(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294653 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
BDBM50294654 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)=O |r|
BDBM50294655 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)N=O |r|
BDBM50294656 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OC |r|
BDBM50294657 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCC=C |r|
BDBM50294658 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCC(C)C |r|
BDBM50294659 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCc1ccccc1 |r|
BDBM50250989 Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
BDBM50250917 CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 |r|
BDBM50108531 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50108532 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50108533 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50108534 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50234643 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50234644 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(=O)cc(o1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50234645 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50234646 CS(=O)(=O)Oc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50136233 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50127414 CC(C)CC(NC(=O)C(O)c1ccccc1OCc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127415 COC(=O)CCCCC(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127416 CC(C)CC(NC(=O)c1ccc2ccccc2c1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50127417 CO[C@](C)(C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)c1ccccc1
BDBM50127418 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1
BDBM50127419 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1cccc(OCC(O)=O)c1
BDBM50127420 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NC1CCCCC1
BDBM50059982 COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1 |w:6.5,14.14|
BDBM50127412 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccncc1
BDBM50127413 COc1cc(CC(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc2ccccc2)C(O)=O)cc(OC)c1OC
BDBM50305470 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2cccn2C)c1 |c:3|
BDBM50305471 CCCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:14|
BDBM50305472 COCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:14|
BDBM50305473 COCCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:15|
BDBM50305474 COc1cccc(c1)C(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:20|
BDBM50305475 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1 |c:3|
BDBM50305477 NC1=NC(C2CCCCC2)(C(=O)N1CCCCCC(O)=O)c1ccccc1 |t:1|
BDBM50305478 NC1=NC(C2CCCCC2)(C(=O)N1C[C@H]1CC[C@@H](CC1)C(O)=O)c1ccccc1 |r,wU:14.15,wD:17.22,t:1,(23.53,3.34,;24.5,2.14,;24.09,.65,;25.38,-.19,;26.71,-.96,;26.7,-2.49,;28.03,-3.26,;29.36,-2.5,;29.36,-.96,;28.03,-.19,;26.58,.77,;28.07,.37,;26.03,2.21,;26.82,3.54,;28.36,3.52,;29.14,4.84,;30.69,4.81,;31.44,3.47,;30.64,2.15,;29.11,2.17,;32.98,3.45,;33.73,2.1,;33.77,4.77,;24.04,-.95,;22.71,-.16,;21.37,-.92,;21.36,-2.46,;22.7,-3.24,;24.03,-2.48,)|
BDBM50305479 NC1=NC(C2CCCCC2)(C(=O)N1Cc1ccccc1)c1ccccc1 |t:1|
BDBM50305480 NC1=NC(C2CCCCC2)(C(=O)N1Cc1cc(F)cc(F)c1)c1ccccc1 |t:1|
BDBM50305481 NC1=NC(C2CCCCC2)(C(=O)N1CC1CCCO1)c1ccccc1 |t:1|
BDBM50323487 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1C2CCC(C2)C1=O |r|
BDBM50323488 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCCC1 |r|
BDBM50323489 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCC1=O |r|
BDBM50323490 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCNC1=O |r|
BDBM50323491 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCOC1=O |r|
BDBM50323492 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCC1=O |r|
BDBM50323493 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOC1 |r|
BDBM50323494 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCO1 |r|
BDBM50323495 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCC1 |r|
BDBM50300226 CC(C)CC1(C)N=C(N)N(Cc2cccc(Cl)c2)C1=O |t:6|
BDBM50300227 CC1(C)N=C(N)N(Cc2cccc(Cl)c2)C1=O |t:3|
BDBM50322899 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 |r|
BDBM50322900 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 |r|
BDBM50322901 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1 |r|
BDBM50322902 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(Cc1ccccc1)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
BDBM50305482 NC1=NC(C2CCCCC2)(C(=O)N1CCCO)c1ccccc1 |t:1|
BDBM50305483 CN1C(N)=NC(C2CCCCC2)(C2CCCCC2)C1=O |c:3|
BDBM50323195 COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-7.9,-15.38,;-6.36,-15.38,;-5.59,-14.05,;-4.05,-14.05,;-3.28,-12.71,;-1.74,-12.71,;-.97,-11.38,;-1.74,-10.05,;-3.28,-10.05,;-4.05,-8.71,;-4.05,-11.38,;-5.59,-11.38,;-6.36,-10.05,;-6.36,-12.71,;.57,-11.38,;1.34,-12.71,;2.88,-12.71,;3.65,-11.38,;5.19,-11.38,;2.88,-10.05,;1.34,-10.05,;3.65,-8.71,;2.88,-7.37,;1.34,-7.37,;3.65,-6.05,;5.19,-6.05,;5.96,-4.71,;5.96,-7.37,;5.19,-8.71,;5.96,-10.05,;7.5,-10.05,;8.28,-8.71,;7.5,-7.37,;8.28,-6.05,;8.28,-11.38,;9.82,-11.38,;10.58,-12.71,;9.82,-14.05,;10.58,-15.38,;8.28,-14.05,;7.5,-12.71,)|
BDBM50325981 CC(C)C(\C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OS([O-])(=O)=O)C(C)C |r|
BDBM50324921 CC[C@@H](CC(=O)NCCC1CCNC1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324922 CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324923 CC[C@@H](CC(=O)N(C)CC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324924 CC[C@@H](CC(=O)NCC1CCOCC1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324925 CC[C@@H](CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324926 CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n1c(N)nc2cc(Cl)ccc12 |r,wU:2.19,TLB:16:15:13:9.10.11,6:7:9.16.10:14.12.13,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11,(3.24,-6.55,;4.57,-5.76,;5.9,-6.53,;7.23,-5.74,;8.57,-6.5,;8.58,-8.04,;9.9,-5.72,;11.24,-6.48,;12.43,-5.2,;13.76,-5.68,;15.16,-5.34,;15.17,-3.81,;13.77,-3.24,;12.43,-3.71,;12.73,-4.46,;12.74,-6.06,;14.14,-6.61,;5.92,-8.07,;6.83,-9.32,;8.37,-9.32,;5.92,-10.58,;4.44,-10.1,;3.11,-10.87,;1.78,-10.1,;.44,-10.87,;1.78,-8.56,;3.11,-7.78,;4.44,-8.55,)|
BDBM50226437 Nc1nc(CCc2ccccc2)cc(=O)[nH]1
BDBM50302851 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(CC[C@H](O)CC1)c1cccc(c1)C(C)(C)C |r,wU:14.15,18.18,21.22,wD:4.3,(22.91,-29.31,;21.58,-28.54,;21.58,-27,;20.24,-29.31,;20.24,-30.85,;18.9,-31.61,;17.57,-30.84,;16.23,-31.61,;14.9,-30.84,;13.56,-31.61,;14.9,-29.29,;16.23,-28.52,;16.23,-26.98,;17.57,-29.29,;21.57,-31.62,;21.57,-33.16,;22.91,-30.85,;24.24,-31.62,;25.57,-30.86,;26.91,-30.09,;26.91,-28.54,;25.57,-27.76,;25.57,-26.22,;24.24,-28.54,;24.24,-30.09,;26.91,-31.63,;26.91,-33.16,;28.24,-33.93,;29.57,-33.15,;29.56,-31.61,;28.23,-30.85,;30.89,-30.83,;32.23,-31.59,;30.88,-29.29,;32.21,-30.05,)|
BDBM50302852 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](O)CC1)c1cccc(c1)C(C)(C)C |r,wU:14.15,18.18,wD:4.3,21.22,(-.23,-39.94,;-1.56,-39.17,;-1.56,-37.63,;-2.89,-39.94,;-2.9,-41.48,;-4.23,-42.25,;-5.56,-41.48,;-6.91,-42.25,;-8.24,-41.48,;-9.57,-42.25,;-8.24,-39.93,;-6.91,-39.15,;-6.91,-37.61,;-5.56,-39.93,;-1.56,-42.25,;-1.57,-43.79,;-.23,-41.48,;1.1,-42.26,;2.44,-41.49,;1.1,-40.72,;1.1,-39.18,;2.44,-38.4,;2.44,-36.86,;3.78,-39.18,;3.78,-40.72,;3.77,-42.26,;3.77,-43.8,;5.1,-44.56,;6.44,-43.79,;6.43,-42.24,;5.09,-41.48,;7.76,-41.47,;9.09,-42.23,;7.75,-39.93,;9.08,-40.68,)|
BDBM50302853 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](CO)CC1)c1cccc(c1)C(C)(C)C |r,wU:14.15,18.18,wD:4.3,21.22,(23.1,-39.62,;21.76,-38.85,;21.76,-37.31,;20.43,-39.61,;20.43,-41.15,;19.09,-41.92,;17.76,-41.15,;16.42,-41.92,;15.08,-41.15,;13.75,-41.92,;15.08,-39.6,;16.42,-38.82,;16.41,-37.28,;17.76,-39.6,;21.76,-41.93,;21.76,-43.47,;23.09,-41.16,;24.43,-41.93,;25.76,-41.17,;24.43,-40.4,;24.43,-38.85,;25.76,-38.07,;25.76,-36.53,;27.09,-35.76,;27.1,-38.85,;27.1,-40.4,;27.09,-41.93,;27.09,-43.47,;28.43,-44.24,;29.76,-43.46,;29.75,-41.92,;28.42,-41.16,;31.08,-41.14,;32.42,-41.9,;31.07,-39.6,;32.4,-40.36,)|
BDBM50302854 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](CCO)CC1)c1cccc(c1)C(C)(C)C |r,wU:14.15,18.18,wD:4.3,21.22,(.89,-51.04,;-.44,-50.27,;-.44,-48.73,;-1.77,-51.04,;-1.77,-52.58,;-3.11,-53.34,;-4.44,-52.57,;-5.78,-53.34,;-7.12,-52.57,;-8.45,-53.34,;-7.12,-51.02,;-5.78,-50.25,;-5.79,-48.71,;-4.44,-51.02,;-.44,-53.35,;-.44,-54.89,;.89,-52.58,;2.22,-53.35,;3.56,-52.59,;2.22,-51.82,;2.22,-50.27,;3.56,-49.49,;3.56,-47.95,;4.89,-47.18,;4.89,-45.64,;4.9,-50.27,;4.9,-51.82,;4.89,-53.36,;4.89,-54.89,;6.22,-55.66,;7.56,-54.89,;7.55,-53.34,;6.21,-52.58,;8.88,-52.56,;10.22,-53.32,;8.87,-51.02,;10.2,-51.78,)|
BDBM50302855 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC(C)=NC1)c1cccc(c1)C(C)(C)C |r,c:23|
BDBM50302856 C[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
BDBM50324927 CC[C@@H](CC(=O)NCCC(C)(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324928 CC[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50271766 CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r|
BDBM50271767 CCCCN1CC([C@@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50302857 CS[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
BDBM50305533 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCOc4cc(cc(C)n4)C(=O)N2)c3)c1 |r|
BDBM50305534 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCNc4cc(cc(C)n4)C(=O)N2)c3)c1 |r|
BDBM50305535 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cccc(c1)C(C)C)c3 |r|
BDBM50305536 COCc1cc2cc(OCCCCOc3cccc(C[C@H](NC2=O)[C@H](O)CNC2(CC2)c2cccc(c2)C(C)C)c3)n1 |r|
BDBM50305537 CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(C)n3)C(=O)N1)c2 |r|
BDBM50305538 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(c1cccc(c1)C(C)(C)C)C(F)(F)F)c3 |r|
BDBM50305539 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(CF)c1cccc(c1)C(C)(C)C)c3 |r|
BDBM50305530 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(C)(C)c1cccc(c1)C(C)C)c3 |r|
BDBM50305531 CCCS(=O)(=O)N(C)c1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3 |r|
BDBM50305532 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCNc4cccc(c4)C(=O)N2)c3)c1 |r|
BDBM50302835 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCNCC1)c1cccc(c1)C(C)(C)C |r|
BDBM50302836 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOC1)c1cccc(c1)-n1cccn1 |r|
BDBM50302837 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCOC1)c1cccc(c1)-n1cccn1 |r|
BDBM50302838 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 |r|
BDBM50302839 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C(C)(C)C |r|
BDBM50302840 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCC1)c1cccc(c1)C(C)(C)C |r|
BDBM50302841 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C |r|
BDBM50302842 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCN(CC1)C(N)=O)c1cccc(c1)C(C)(C)C |r|
BDBM50302843 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCNC(=O)C1)c1cccc(c1)C(C)(C)C |r|
BDBM50302844 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCNC1)c1cccc(c1)C(C)(C)C |r|
BDBM50302845 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(O)C1)c1cccc(c1)C(C)(C)C |r|
BDBM50302846 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(C1)C(=O)OCc1ccccc1)c1cccc(c1)C(C)(C)C |r|
BDBM50302847 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(C1)C(C)=O)c1cccc(c1)C(C)(C)C |r|
BDBM50302848 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(C1)C(N)=O)c1cccc(c1)C(C)(C)C |r|
BDBM50302858 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)C(F)(F)F)c1cccc(c1)C(C)(C)C |r|
BDBM50302859 CO[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
BDBM50302866 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NC=O)NC1)c1cccc(c1)C(C)(C)C |r|
BDBM50302867 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NS(C)(=O)=O)NC1)c1cccc(c1)C(C)(C)C |r|
BDBM50305527 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3 |r|
BDBM50305528 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CCCC1)c1cccc(c1)C(C)(C)C)c3 |r|
BDBM50305529 COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CCC1)c1cccc(c1)C(C)(C)C)c3 |r|
BDBM50305541 COCC(NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cc(COC)cc(c3)C(=O)N1)c2)c1cccc(c1)C(C)(C)C |r|
BDBM50305542 CCCS(=O)(=O)N(C)c1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNCc1cccc(c1)C(C)C)c3 |r|
BDBM50305543 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCNc4cc(cc(c4)C(=O)N2)N2COC=C2)c3)c1 |r,c:40|
BDBM50305544 CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(c3)C(=O)N1)N1CCCC1=O)c2 |r|
BDBM50322876 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)NC1CCCCC1 |r|
BDBM50322877 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccccc1)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
BDBM50323496 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1nccn1 |r|
BDBM50323497 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1ccnc1 |r|
BDBM50323498 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1cscn1 |r|
BDBM50323499 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1cccs1 |r|
BDBM50323196 COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)|
BDBM50323197 COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(22.48,-45.72,;23.81,-44.95,;25.14,-45.72,;25.14,-47.26,;26.47,-48.03,;26.47,-49.57,;27.81,-47.26,;27.81,-45.71,;29.14,-44.93,;30.48,-45.71,;30.48,-47.26,;29.14,-48.03,;29.14,-49.57,;31.82,-44.95,;33.14,-45.72,;34.48,-44.95,;34.48,-43.41,;35.82,-42.64,;33.14,-42.64,;31.81,-43.41,;26.47,-44.95,;25.28,-42.99,;23.95,-43.76,;22.62,-42.99,;22.61,-41.46,;23.93,-40.68,;25.28,-41.45,;26.61,-40.67,;21.29,-43.77,;21.29,-45.31,;19.96,-46.09,;19.96,-47.63,;18.62,-45.33,;18.61,-43.78,;17.27,-43.02,;15.95,-43.79,;14.62,-43.02,;15.95,-45.33,;17.28,-46.1,;17.28,-47.64,;19.94,-42.99,)|
BDBM50323198 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(9.76,-25.42,;8.22,-25.42,;7.45,-24.09,;8.22,-22.76,;7.45,-21.42,;5.91,-21.42,;5.14,-22.76,;5.91,-24.09,;5.14,-20.09,;5.91,-18.76,;5.14,-17.43,;5.91,-16.09,;3.6,-17.43,;2.83,-16.09,;3.6,-14.76,;1.29,-16.09,;.52,-17.43,;-1.02,-17.43,;1.29,-18.76,;.52,-20.09,;-1.02,-20.09,;-1.79,-21.42,;-1.02,-22.76,;.52,-22.76,;1.29,-21.42,;2.83,-21.42,;-3.33,-21.42,;-4.1,-20.09,;-5.64,-20.09,;-6.41,-18.76,;-6.41,-21.42,;-5.64,-22.76,;-6.41,-24.09,;-7.95,-24.09,;-8.72,-25.42,;-8.72,-22.76,;-7.95,-21.42,;-8.72,-20.09,;-4.1,-22.76,;2.83,-18.76,;3.6,-20.09,)|
BDBM50323199 COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-8.64,-2.46,;-8.63,-4,;-7.29,-4.77,;-5.96,-3.99,;-4.63,-4.75,;-3.3,-3.96,;-1.95,-4.73,;-1.94,-6.28,;-3.28,-7.06,;-3.27,-8.6,;-4.61,-6.3,;-5.94,-7.06,;-5.93,-8.6,;-7.27,-6.31,;-.63,-3.95,;-.64,-2.41,;.68,-1.63,;2.03,-2.39,;3.35,-1.62,;3.34,-.08,;2.04,-3.94,;.71,-4.71,;3.37,-4.69,;3.38,-6.24,;2.05,-7.01,;4.72,-7,;6.05,-6.22,;7.39,-6.98,;6.04,-4.68,;4.7,-3.92,;4.68,-2.38,;6.02,-1.6,;7.36,-2.36,;7.36,-3.9,;8.7,-4.67,;6.02,-.06,;7.35,.72,;7.34,2.26,;6,3.02,;5.99,4.56,;4.67,2.23,;4.68,.7,)|
BDBM50323200 COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(19.38,-32.95,;18.04,-33.72,;18.05,-35.26,;19.38,-36.03,;19.39,-37.58,;20.73,-38.35,;20.73,-39.9,;19.38,-40.68,;18.04,-39.9,;16.7,-40.67,;18.04,-38.35,;16.72,-37.58,;15.38,-38.35,;16.72,-36.03,;22.07,-40.66,;23.39,-39.89,;24.73,-40.65,;24.74,-42.2,;26.07,-42.96,;23.4,-42.97,;22.07,-42.2,;23.41,-44.5,;22.07,-45.27,;20.73,-44.5,;19.4,-45.27,;22.07,-46.81,;23.41,-47.58,;23.4,-49.12,;24.75,-46.8,;24.74,-45.26,;26.06,-44.49,;27.39,-45.25,;27.4,-46.79,;26.07,-47.56,;26.06,-49.1,;28.72,-44.47,;30.06,-45.24,;31.39,-44.47,;31.38,-42.92,;32.72,-42.15,;30.04,-42.16,;28.71,-42.94,)|
BDBM50323201 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(24.55,-16.67,;23.22,-17.45,;21.88,-16.69,;21.86,-15.15,;20.52,-14.39,;19.19,-15.18,;19.21,-16.72,;20.55,-17.48,;17.85,-14.43,;17.84,-12.89,;16.5,-12.13,;16.48,-10.59,;15.17,-12.91,;13.83,-12.16,;13.81,-10.61,;12.5,-12.94,;12.52,-14.48,;11.19,-15.26,;13.86,-15.24,;13.88,-16.78,;12.55,-17.56,;12.57,-19.1,;13.91,-19.86,;15.24,-19.07,;15.22,-17.53,;16.54,-16.75,;11.24,-19.88,;9.9,-19.13,;8.57,-19.91,;7.24,-19.16,;8.59,-21.45,;9.93,-22.21,;9.95,-23.75,;8.62,-24.53,;8.64,-26.08,;7.32,-26.86,;7.28,-23.78,;7.26,-22.23,;5.92,-21.48,;11.26,-21.43,;15.19,-14.46,;16.53,-15.21,)|
BDBM50323202 COc1ccc(cc1-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.11,3.19,;1.77,3.96,;.44,3.18,;-.9,3.95,;-2.23,3.17,;-2.22,1.64,;-.88,.87,;.45,1.64,;1.63,-.31,;.31,-1.08,;-1.02,-.31,;-2.35,-1.08,;.31,-2.62,;1.63,-3.39,;1.63,-4.93,;2.97,-2.62,;2.97,-1.07,;4.3,-.3,;5.64,-1.08,;5.64,-2.62,;4.3,-3.39,;4.3,-4.93,;6.98,-.31,;8.3,-1.08,;9.64,-.32,;9.64,1.22,;10.97,1.99,;8.3,1.99,;6.98,1.22,;-3.55,.87,;-3.54,-.68,;-4.87,-1.45,;-4.87,-2.99,;-6.21,-.69,;-6.22,.85,;-7.56,1.62,;-8.88,.85,;-10.21,1.62,;-8.88,-.7,;-7.55,-1.47,;-7.56,-3,;-4.89,1.64,)|
BDBM50323203 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(43.19,-4.38,;41.85,-3.62,;40.52,-4.4,;40.52,-5.94,;39.19,-6.72,;37.85,-5.95,;37.85,-4.41,;39.17,-3.64,;36.53,-6.73,;36.53,-8.26,;35.21,-9.03,;35.2,-10.57,;33.88,-8.28,;32.54,-9.06,;32.53,-10.6,;31.21,-8.29,;31.2,-6.75,;29.87,-5.98,;32.54,-5.98,;32.54,-4.44,;31.2,-3.68,;31.2,-2.13,;32.53,-1.36,;33.86,-2.12,;33.87,-3.67,;35.21,-4.44,;36.54,-3.66,;29.86,-1.37,;28.52,-2.15,;27.17,-1.37,;25.84,-2.14,;27.18,.17,;28.52,.95,;28.52,2.5,;27.18,3.26,;27.18,4.8,;25.85,2.49,;25.85,.95,;24.51,.18,;29.86,.17,;33.87,-6.74,;35.19,-5.96,)|
BDBM50323204 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(6.65,-6.92,;5.32,-7.68,;5.32,-9.22,;6.66,-9.99,;6.66,-11.53,;5.32,-12.3,;3.99,-11.54,;3.99,-10,;5.32,-13.84,;6.66,-14.6,;6.66,-16.14,;7.99,-16.91,;5.33,-16.91,;5.34,-18.45,;6.68,-19.22,;4.01,-19.23,;2.67,-18.46,;1.34,-19.23,;1.34,-20.77,;2.68,-16.92,;1.34,-16.15,;.01,-16.92,;-1.33,-16.15,;-1.33,-14.62,;-.01,-13.84,;1.34,-14.61,;2.67,-13.83,;-2.66,-16.92,;-2.66,-18.48,;-4,-19.26,;-4,-20.8,;-5.34,-18.49,;-5.35,-16.94,;-6.68,-16.17,;-8.01,-16.94,;-9.34,-16.17,;-8.01,-18.49,;-6.68,-19.26,;-6.68,-20.8,;-4.01,-16.15,;4,-16.15,;3.98,-14.61,)|
BDBM50323205 COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(12.24,-14.8,;12.24,-16.34,;13.58,-17.11,;14.91,-16.34,;16.24,-17.1,;17.58,-16.32,;18.93,-17.11,;18.92,-18.66,;17.58,-19.43,;17.57,-20.97,;16.24,-18.66,;14.91,-19.42,;14.91,-20.96,;13.58,-18.65,;20.26,-16.34,;20.26,-14.81,;21.59,-14.04,;22.93,-14.82,;24.26,-14.05,;24.26,-12.51,;22.92,-16.36,;21.59,-17.12,;24.25,-17.13,;24.21,-18.66,;22.86,-19.39,;21.55,-18.59,;25.52,-19.48,;26.88,-18.75,;28.19,-19.56,;26.93,-17.21,;25.61,-16.4,;25.65,-14.85,;27.02,-14.11,;28.34,-14.93,;28.29,-16.48,;29.6,-17.3,;27.07,-12.57,;28.43,-11.86,;28.48,-10.32,;27.18,-9.5,;27.22,-7.97,;25.81,-10.24,;25.77,-11.77,)|
BDBM50323206 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(10.61,-33.01,;9.27,-32.25,;7.94,-33.02,;7.94,-34.56,;6.61,-35.34,;5.28,-34.57,;5.27,-33.03,;6.6,-32.26,;3.95,-35.34,;3.95,-36.87,;2.63,-37.63,;2.63,-39.17,;1.31,-36.87,;-.03,-37.66,;-.03,-39.2,;-1.36,-36.89,;-1.36,-35.35,;-2.69,-34.58,;-.02,-34.58,;-.02,-33.04,;-1.36,-32.27,;-1.35,-30.73,;-.03,-29.96,;1.31,-30.73,;1.31,-32.27,;2.65,-33.04,;3.98,-32.27,;-2.68,-29.97,;-2.68,-28.42,;-4.03,-27.64,;-4.03,-26.1,;-5.36,-28.42,;-5.36,-29.97,;-6.7,-30.74,;-8.03,-29.97,;-9.37,-30.74,;-10.7,-29.97,;-8.03,-28.42,;-6.7,-27.64,;-6.7,-26.1,;-4.02,-30.74,;1.3,-35.35,;2.62,-34.57,)|
BDBM50323207 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(32.66,-38.98,;32.67,-40.52,;31.34,-41.3,;31.35,-42.84,;30.02,-43.62,;28.68,-42.85,;28.67,-41.32,;29.99,-40.54,;27.35,-43.63,;27.36,-45.16,;26.03,-45.93,;26.02,-47.47,;24.7,-45.18,;23.36,-45.96,;23.35,-47.5,;22.03,-45.19,;22.02,-43.65,;20.69,-42.88,;20.69,-41.34,;23.36,-42.88,;23.36,-41.34,;22.02,-40.58,;22.02,-39.03,;23.35,-38.26,;24.68,-39.02,;24.69,-40.57,;26.03,-41.34,;20.69,-38.27,;19.34,-39.05,;17.99,-38.28,;16.66,-39.04,;18,-36.73,;19.34,-35.95,;19.34,-34.4,;18,-33.64,;18,-32.1,;16.66,-31.33,;16.67,-34.41,;16.67,-35.96,;15.33,-36.72,;20.68,-36.73,;24.69,-43.64,;26.01,-42.86,)|
BDBM50323208 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(31.87,-8.18,;30.33,-8.18,;29.56,-6.85,;30.33,-5.52,;29.56,-4.18,;28.02,-4.18,;27.25,-5.52,;28.02,-6.85,;27.25,-2.85,;28.02,-1.51,;27.25,-.18,;28.02,1.15,;25.71,-.18,;24.94,1.15,;25.71,2.49,;23.4,1.15,;22.63,-.18,;21.09,-.18,;20.32,1.15,;23.4,-1.51,;22.63,-2.85,;21.09,-2.85,;20.32,-4.18,;21.09,-5.52,;22.63,-5.52,;23.4,-4.18,;24.94,-4.18,;25.71,-5.52,;18.78,-4.18,;18.01,-2.85,;16.47,-2.85,;15.69,-1.51,;15.69,-4.18,;16.47,-5.52,;15.69,-6.85,;14.15,-6.85,;13.39,-8.18,;13.39,-5.52,;14.15,-4.18,;13.39,-2.85,;18.01,-5.52,;24.94,-1.51,;25.71,-2.85,)|
BDBM50323209 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(25.11,-22.48,;26.42,-23.29,;26.38,-24.83,;27.68,-25.64,;27.63,-27.18,;26.27,-27.9,;24.97,-27.1,;25.01,-25.56,;26.22,-29.44,;27.54,-30.25,;27.49,-31.81,;28.8,-32.62,;26.13,-32.54,;26.08,-34.07,;27.39,-34.88,;24.72,-34.8,;23.41,-33.99,;22.06,-34.72,;20.75,-33.91,;23.45,-32.45,;22.12,-31.68,;20.79,-32.44,;19.46,-31.66,;19.46,-30.13,;20.79,-29.36,;22.13,-30.14,;23.46,-29.37,;23.46,-27.83,;18.13,-32.43,;18.12,-33.98,;16.78,-34.75,;16.77,-36.29,;15.44,-33.98,;15.44,-32.42,;14.11,-31.66,;12.78,-32.43,;11.44,-31.66,;11.44,-30.12,;12.78,-33.98,;14.11,-34.75,;14.11,-36.28,;16.78,-31.65,;24.8,-31.72,;24.85,-30.17,)|
BDBM50302871 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](Nc2cccs2)NC1)c1cccc(c1)C(C)(C)C |r|
BDBM50302872 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](Nc2cccnc2)NC1)c1cccc(c1)C(C)(C)C |r|
BDBM50323500 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccsc1 |r|
BDBM50323501 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccoc1 |r|
BDBM50323502 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccco1 |r|
BDBM50323503 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)S(C)(=O)=O |r|
BDBM50323504 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)CO |r|
BDBM50323505 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C#N |r|
BDBM50323506 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C#N |r|
BDBM50323507 CN(C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
BDBM50323508 CC(C)Cc1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
BDBM50323509 CCC(C)(C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
BDBM50323510 C\C=C(/C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
BDBM50323511 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)=C |r|
BDBM50323512 CCc1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
BDBM50323513 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ccccc1 |r|
BDBM50323514 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(I)c1 |r|
BDBM50323874 Clc1ccccc1CC(=O)Nc1cc(Br)ccc1OCCN1CCCCC1
BDBM50323875 Clc1ccccc1CC(=O)Nc1cc(Br)ccc1OCCNC1CCCCC1
BDBM50323876 CCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl
BDBM50323877 OCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl
BDBM50323878 Clc1ccccc1CC(=O)Nc1cc(Br)ccc1OCCNC1CC1
BDBM50323879 NCCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl
BDBM50323880 NCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl
BDBM50300172 CO[C@@H](COCc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50323486 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCCC1=O |r|
BDBM50305467 CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 |c:3|
BDBM50305468 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2ccco2)c1 |c:3|
BDBM50305469 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1 |c:3|
BDBM50305476 CCCCCCN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 |c:8|
BDBM228170 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20|
BDBM228168 COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21|
BDBM50300186 CO[C@@H](CNCc1ccccc1)C[C@@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50300187 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50324897 COn1c(nc2ncccc12)-c1ccccc1
BDBM50324898 Nc1nc2cc(Cl)ccc2n1CCCO
BDBM50324899 Clc1cccc(c1)-c1cnc2ncccn12
BDBM50324900 c1nc2ncccn2c1-c1ccncc1
BDBM50324901 OC1(O)C(=O)c2ccccc2C1=O
BDBM50324902 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1ccccc1
BDBM50324903 CN(C1CCCCC1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12
BDBM50324904 CC(C)NC(=O)CCCn1c(N)nc2cc(Cl)ccc12
BDBM50324905 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCCN1CCOCC1
BDBM50324906 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCCC1CCNC1
BDBM50324907 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1ccccn1
BDBM50324908 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC1CCCCC1
BDBM50324909 CN1CCC(CC1)NC(=O)CCCn1c(N)nc2cc(Cl)ccc12
BDBM50324910 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1cccc(F)c1
BDBM50324911 Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC1CC1
BDBM50324912 CN(Cc1cccc(F)c1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12
BDBM50324913 CN(CC1CCCCC1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12
BDBM50324914 CC[C@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324915 CC[C@@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324916 CC(C)C[C@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324917 CC(C)C[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324918 CC[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324919 CC[C@@H](CC(=O)NCCN1CCOCC1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50322878 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCC1=O)C(=O)NC1CCCCC1
BDBM50322879 CC(C)CCCC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccccc1)S(C)(=O)=O |r|
BDBM50322880 CS(=O)(=O)N(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
BDBM50322881 CS(=O)(=O)N(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
BDBM50322882 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O |r|
BDBM50322883 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
BDBM50322884 CC(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
BDBM50322885 CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM50322886 CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
BDBM50322887 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccc(cc1)C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
BDBM50322888 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccc(Cl)cc1)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
BDBM50322889 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccc(cc1)C(F)(F)F)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
BDBM50322890 COc1ccc(cc1)N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O |r|
BDBM50322891 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1cccc(c1)C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
BDBM50322892 COc1cccc(c1)N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O |r|
BDBM50322893 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccccc1C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
BDBM50322894 COc1ccccc1N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O |r|
BDBM50322895 CS(=O)(=O)N(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM50322896 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(=O)(=O)N(C)Cc1ccccc1)C(=O)NC1CCCCC1 |r|
BDBM50322897 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(=O)(=O)Cc1ccccc1)C(=O)NC1CCCCC1 |r|
BDBM50322898 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1 |r|
BDBM50322903 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(C1CCCCC1)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
BDBM50300228 CN1C(N)=N[C@](CCC2CCCCC2)(CC2CCCCC2)C1=O |r,c:3|
BDBM50300229 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 |c:3|
BDBM50300230 CC(C)CC1(C)N=C(N)N(Cc2ccc(CNC(=O)Nc3ccc(cc3)C#N)cc2)C1=O |t:6|
BDBM50300231 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(C)(CC(C)C)C2=O)cc1 |c:16|
BDBM50300232 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(C)(CC3CCCCC3)C2=O)cc1 |c:16|
BDBM50300233 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CC3CCCCC3)(CC3CCCCC3)C2=O)cc1 |c:16|
BDBM50300234 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CCc3ccccc3)(CC(C)C)C2=O)cc1 |c:16|
BDBM50300235 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CCC3CCCCC3)(CC(C)C)C2=O)cc1 |c:16|
BDBM50324920 CC[C@@H](CC(=O)NCC1CC1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50322904 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(C(C)=O)c1ccccc1)C(=O)NC1CCCCC1 |r|
BDBM50322905 CS(=O)(=O)N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)c1ccccn1 |r|
BDBM50322906 CS(=O)(=O)N(c1cccnc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM50322907 CS(=O)(=O)N(c1ccncc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM50322908 Cc1ccc(cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
BDBM50322909 Cc1ccc(cc1N(c1ccccc1)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
BDBM50322910 Cc1c(cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
BDBM50310149 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 |c:3|
BDBM50310150 CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:12|
BDBM50310151 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1cc(C)nc(C)c1 |c:3|
BDBM50310152 CCc1cc(cc(CC)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:12|
BDBM50302107 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
BDBM50302849 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC(=O)NC1)c1cccc(c1)C(C)(C)C |r|
BDBM50302850 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC(=O)CC1)c1cccc(c1)C(C)(C)C |r|
BDBM50324929 CC[C@@H](CC(=O)NCc1ccc(F)cc1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324930 CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324931 CC[C@@H](CC(=O)N[C@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324932 CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(O)=O)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324933 CC(C)C[C@@H](CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50324934 CC(C)C[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc12 |r|
BDBM50310154 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccncc1 |c:3|
BDBM50310155 CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1 |c:3|
BDBM50310156 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccnc(C)c1 |c:3|
BDBM50254744 C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
BDBM50254745 C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r|
BDBM50254746 C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r|
BDBM50323210 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2o1 |wD:25.26,(3.82,-20.03,;3.83,-21.57,;5.16,-22.34,;5.17,-23.87,;3.83,-24.64,;2.5,-23.88,;2.49,-22.35,;3.83,-26.18,;5.17,-26.95,;5.17,-28.49,;6.5,-29.26,;3.84,-29.26,;3.85,-30.8,;5.18,-31.56,;2.51,-31.57,;1.18,-30.81,;-.15,-31.58,;1.18,-29.26,;-.15,-28.5,;-1.48,-29.27,;-2.82,-28.5,;-2.83,-26.97,;-1.5,-26.19,;-.16,-26.96,;1.17,-26.18,;-4.15,-29.27,;-4.15,-30.83,;-5.49,-31.6,;-5.49,-33.14,;-6.83,-30.84,;-8.17,-31.6,;-8.17,-33.14,;-9.51,-30.83,;-9.5,-29.29,;-10.84,-28.52,;-8.18,-28.52,;-6.84,-29.28,;-5.5,-28.5,;2.5,-28.49,;2.49,-26.96,)|
BDBM50323211 COc1cc2O[C@@H](CC(=O)c2c(O)c1C)c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r,wD:6.16,(21.01,-13.22,;19.68,-13.99,;19.68,-15.53,;21.02,-16.29,;21.03,-17.84,;22.36,-18.61,;22.37,-20.15,;21.02,-20.94,;19.68,-20.16,;18.34,-20.93,;19.68,-18.61,;18.35,-17.84,;17.02,-18.61,;18.35,-16.3,;17.02,-15.53,;23.7,-20.92,;25.03,-20.14,;26.35,-20.91,;26.36,-22.45,;27.7,-23.21,;29.03,-22.44,;25.03,-23.22,;23.7,-22.46,;25.04,-24.75,;23.7,-25.53,;22.37,-24.75,;23.71,-27.06,;25.04,-27.83,;25.03,-29.37,;26.37,-27.05,;26.36,-25.52,;27.68,-24.74,;29.02,-25.5,;29.02,-27.04,;27.7,-27.8,;27.69,-29.34,;30.34,-24.73,;31.68,-25.5,;33.01,-24.72,;33.01,-23.18,;34.34,-22.4,;31.66,-22.42,;30.34,-23.19,)|
BDBM50323212 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)|
BDBM50302868 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)N(O)C(C)=O)c1cccc(c1)C(C)(C)C |r|
BDBM50302869 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NC(C)=O)NC1)c1cccc(c1)C(C)(C)C |r|
BDBM50294218 CC(C)c1ccc2OC(C)(C)C[C@H](NC[C@@H](O)[C@@H]3C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N3)c2c1 |r|
BDBM50294219 CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1 |r|
BDBM50220305 OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC1CC1)-c1ccccc1Cl
BDBM50220306 OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC(F)(F)F)-c1ccccc1Cl
BDBM50220307 CCCOc1ccc(cc1)-c1csc(c1CC(=O)NC(N)=N)-c1ccccc1
BDBM50220312 CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(N)=N)-c1ccccc1Cl
BDBM50220313 CCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
BDBM50220314 CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
BDBM50220315 CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(N)=N)-c1ccccc1
BDBM50220316 NC(=N)NC(=O)Cc1c(csc1-c1ccc(OCCc2cn[nH]c2)cc1)-c1ccccc1Cl
BDBM50302870 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](Nc2ccccn2)NC1)c1cccc(c1)C(C)(C)C |r|
BDBM50302860 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)C#N)c1cccc(c1)C(C)(C)C |r|
BDBM50302861 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)S(C)(=O)=O)c1cccc(c1)C(C)(C)C |r|
BDBM50302862 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CCC(NO)=NC1)c1cccc(c1)C(C)(C)C |r,c:24|
BDBM50302863 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NO)NC1)c1cccc(c1)C(C)(C)C |r|
BDBM50302864 CON[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
BDBM50302865 COC(=O)N[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
BDBM50323213 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)|
BDBM50323214 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1
BDBM50323475 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CCC1C2 |r|
BDBM50323476 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CC1CO2 |r|
BDBM50323477 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1COCCO1 |r|
BDBM50323478 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCCCO1 |r|
BDBM50323479 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1(C)CCCO1 |r|
BDBM50323480 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCCO1 |r|
BDBM50323481 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCOCC1 |r|
BDBM50323482 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOCOC1 |r|
BDBM50323483 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCOCC1=O |r|
BDBM50323484 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCNC1=O |r|
BDBM50323485 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCOCC1=O |r|
BDBM50303499 COc1ccc2ccc(=O)oc2c1
BDBM50305540 CC(C)c1cccc(c1)C(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(C)n3)C(=O)N1)c2 |r|
BDBM50322913 O[C@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1c2ccccc2OS1(=O)=O |r|
BDBM50322914 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
BDBM50322915 CCS(=O)(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
BDBM50322916 CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)C1CCCC1 |r|
BDBM50303738 COc1ccc(cc1C(F)(F)F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:14|
BDBM50303739 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
BDBM50303740 COc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:10|
BDBM50303741 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccc(Cl)cc1 |c:3|
BDBM50303742 COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |t:12,TLB:10:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
BDBM50303743 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1cncnc1 |c:3|
BDBM50303744 COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:17|
BDBM50303745 COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11|
BDBM50303746 COc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:10|
BDBM50303731 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 |r,c:3|
BDBM50303732 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 |c:3,TLB:5:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
BDBM50303733 COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:12|
BDBM50303734 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |r,t:11,TLB:9:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50303735 COc1ncccc1-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 |t:17|
BDBM50303736 COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:12|
BDBM50303737 CCCCOc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |t:13,TLB:11:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
BDBM50303747 COc1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |r,t:11|
BDBM50303716 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:11|
BDBM50303717 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11|
BDBM50303718 CN1C(N)=NC(C1=O)(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |c:3,TLB:5:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
BDBM50303719 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11|
BDBM50303720 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C)c(c1)-c1cccnc1 |t:11|
BDBM50303721 CCOc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |t:11,TLB:9:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50303722 CCCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:14|
BDBM50303723 COc1ccc(cc1OC(C)C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:14|
BDBM50303724 COc1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:16|
BDBM50303725 COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C#N)c(c1)-c1cccnc1 |t:11|
BDBM50303726 CN1C(N)=NC(C1=O)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1 |c:3|
BDBM50303727 COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |r,t:11|
BDBM50303728 CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(Cl)c1 |c:3|
BDBM50303729 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1F |c:3|
BDBM50303730 COc1ccc(cn1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 |t:17|
BDBM50303748 COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |r,t:10,TLB:8:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50303749 CCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:13|
BDBM50303750 COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11|
BDBM50303751 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccc2OCCOc2c1 |c:3|
BDBM50303752 CCCCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:15|
BDBM50303753 CCN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 |c:4|
BDBM50303754 NC1=NC(C(=O)N1)(c1ccccc1)c1ccccc1 |t:1|
BDBM50303755 COc1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |r,t:11,TLB:9:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50303756 CN1C(N)=N[C@@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 |r,c:3|
BDBM50303757 CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |c:3|
BDBM50303758 CN1C(N)=NC(C1=O)(c1ccc2OCCc2c1)c1cccc(c1)-c1cccnc1 |c:3|
BDBM50303759 CCc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |t:12,TLB:10:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
BDBM50303760 COc1ccc(cc1)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |r,t:10,TLB:8:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
BDBM50271813 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCNC1=O |r|
BDBM50271814 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(C)C1=O |r|
BDBM50300236 CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CCC3CCCCC3)(CC3CCCCC3)C2=O)cc1 |c:16|
BDBM50300237 CCC[C@H]1CN(Cc2ccc(CN3C(N)=NC(CCC4CCCCC4)(CC4CCCCC4)C3=O)cc2)C(=O)N1 |r,c:14|
BDBM50300238 CCC\C=C(/CC)CSC(N)=N
BDBM50271770 COCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50231500 COc1ccc(cc1)-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N
BDBM50231501 NC(=N)NC(=O)Cn1c(ccc1-c1cc(Cl)ccc1Cl)-c1ccc(F)cc1
BDBM50231502 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccc(Oc2ccccc2)cc1
BDBM50231503 NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)-c1ccccc1
BDBM50271810 CCCN1CC(N(CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50274104 CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)N(C)S(C)(=O)=O |r|
BDBM50274105 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50274106 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50274107 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50274108 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
BDBM50148340 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)NCc1ccc(cc1)C(O)=O
BDBM50226451 NC1=NC(CC(=O)N1)c1ccc(Cl)c(Cl)c1 |t:1|
BDBM50226452 CC1(CC(=O)NC(N)=N1)c1ccccc1 |c:7|
BDBM50231691 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1
BDBM50231692 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CCc2ccccc12)N1CCCC1=O
BDBM50231693 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1OC)N1CCCC1=O
BDBM50231694 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCC1=O
BDBM50231695 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc(OC)cc1)N1CCCC1=O
BDBM50231696 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCCCC1)N1CCCC1=O
BDBM50231697 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccccc1)N1CCCC1=O
BDBM50234178 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
BDBM50212180 CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O
BDBM50226439 CCCc1cc(=O)[nH]c(N)n1
BDBM50212179 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(Br)cc(COC1=O)c3)c1ccccc1)c2
BDBM50212187 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@H](CC)NC(=O)c(c2)c1)c3)S(C)(=O)=O
BDBM50212188 CCS(=O)(=O)N(C)c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3
BDBM50212194 C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)N(c1ccccc1)S(C)(=O)=O)c1ccccc1)c2
BDBM50212195 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(=O)(=O)C(F)(F)F
BDBM50267285 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r|
BDBM50271702 CCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r|
BDBM50271703 CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50271858 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC)C1=O |r|
BDBM50271859 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CCC)C1=O |r|
BDBM50300171 CO[C@@H](COCc1ccc(OC)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50271768 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(CC2CC2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50271769 O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(Cc2ccccc2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50271860 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC(C)C)C1=O |r|
BDBM50271863 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2C#N)CCN1 |r|
BDBM50271864 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2Cl)CCN1 |r|
BDBM50271865 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)c1ccccc1 |r|
BDBM50271704 CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r|
BDBM50271705 CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50226448 COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 |c:24|
BDBM50226449 Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O
BDBM50226450 COc1cccc(c1)-c1cccc(CC[C@@]2(C)CC(=O)N(C)C(N)=N2)c1 |c:24|
BDBM50226453 COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1
BDBM50226454 COc1cccc(c1)-c1cccc(CCC2(C)CC(=O)N(C)C(N)=N2)c1 |c:24|
BDBM50226455 CN1C(=O)CC(C)(CCc2cccc(c2)-c2ccccc2)N=C1N |c:23|
BDBM50226456 CN1C(=O)CC(C)(CCc2ccccc2)N=C1N |c:16|
BDBM50226457 Cn1c(N)nc(CCc2cccc(c2)-c2cccnc2)cc1=O
BDBM50226458 CC1(CC(=O)NC(N)=N1)c1ccc(Cl)c(Cl)c1 |c:7|
BDBM50226445 Nc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1
BDBM50226446 Cn1c(N)nc(CCc2ccccc2)cc1=O
BDBM50300239 CN(Cc1ccco1)Cc1cccc(CCc2cccnc2N)c1
BDBM50300240 Nc1ncccc1CCc1cccc(Cl)c1
BDBM50294630 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N(C)S(C)(=O)=O)c1 |r|
BDBM50294631 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(C)S(C)(=O)=O)C(C)O)c1 |r|
BDBM50294637 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N(C)S(C)(=O)=O)c1 |r|
BDBM50294638 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N(c2ccccc2)S(C)(=O)=O)c1 |r|
BDBM50259817 CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1O |r|
BDBM50301214 COc1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)F)c1cn(C)c(N)n1
BDBM50301215 COC1=CC2CCC(Cc3cc(ccc3OC)[N+]([O-])=O)(C2C=C1)c1cn(C)c(N)n1 |c:23,t:2|
BDBM50301216 COC1=CC2CCC(Cc3ccc(cc3)C(F)(F)F)(C2C=C1)c1cn(C)c(N)n1 |c:22,t:2|
BDBM50301217 COC1=C(F)C2CCC(Cc3ccc(cc3)C(F)(F)F)(C2C=C1)c1cn(C)c(N)n1 |c:2,23|
BDBM50212181 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C1CC1)c3)S(C)(=O)=O
BDBM50212182 C[C@@]1(N)Cc2cc(F)cc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2
BDBM50212183 CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(=O)(=O)CC(F)(F)F
BDBM50212184 CC(C)S(=O)(=O)N(C)c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3
BDBM50212185 CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C#C)c3)S(C)(=O)=O
BDBM50212186 CN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O
BDBM50218528 CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O
BDBM50226438 C[C@H](NC(=O)OC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50310157 CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1ccnc(C)c1 |c:3|
BDBM50307374 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 |r|
BDBM50307377 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCC(C)C |r|
BDBM50307378 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NC1CC1 |r|
BDBM50307379 CO[C@H](C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50231673 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1)N1CCCC1=O
BDBM50231676 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(CCCCC1)c1cccc(OC)c1)N1CCCC1=O
BDBM50231677 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)n1)N1CCCC1=O
BDBM50231678 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1)N1CCCC1=O
BDBM50231679 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCSCC1)N1CCCC1=O
BDBM50127421 CO[C@H](C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)c1ccccc1
BDBM50310158 CCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:10|
BDBM50310159 CC(C)c1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
BDBM50310160 CCc1cc(cc(C)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
BDBM50310161 CC(C)c1cc(cc(C)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:12|
BDBM50310162 CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |r,t:12|
BDBM50307355 CO[C@H](CC[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50307356 CO[C@H](C[C@@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50307357 CO[C@H](C[C@H](N=[N+]=[N-])[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50307358 CO[C@H](C[C@H](N)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50307359 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
BDBM50307360 CCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50307361 COCCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50307380 CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50307381 CO[C@H](C[C@H](O)[C@H](COc1ccc(Br)cc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50307382 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 |r|
BDBM50307383 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 |r|
BDBM50307384 CO[C@H](C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50216173 CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CF
BDBM50216174 CC(C)S(=O)(=O)N(C)c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](N)CF
BDBM50216175 COC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C
BDBM50216177 CN(c1cc(cc(NCC2CC2)n1)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1)S(C)(=O)=O
BDBM50216178 CCCN(CC1CC1)c1cc(cc(n1)N(C)S(=O)(=O)C(C)C)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1
BDBM50277596 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50300173 CO[C@@H](COC(C)C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50300174 CO[C@@H](CNc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50300175 CO[C@@H](CNc1ccc(F)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50307353 CCCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50307354 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCC1CC1)C(=O)NCc1ccccc1 |r|
BDBM50307385 CO[C@H](C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50300176 CCc1cn2CCS(=O)(=O)N(C)c3ccc(C(=O)N[C@@H](COc4cc(F)cc(F)c4)[C@@H](O)C[C@H](COCc4ccc(OC)cc4)OC)c1c23 |r|
BDBM50300177 CO[C@@H](COCc1ccc(OC)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
BDBM50300178 CO[C@@H](COCC1CC1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50300179 CO[C@@H](COCC=C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50300180 CO[C@@H](COc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50300181 CO[C@@H](CO)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50300182 COC[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OC |r|
BDBM50300183 CO[C@@H](COCc1ccc(F)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50300184 CO[C@@H](COCc1cccc(OC)c1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50300185 CO[C@@H](CNCc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50276553 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50328778 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r|
BDBM50328779 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)CF |r|
BDBM50328780 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(=C)C(F)(F)F |r|
BDBM50328781 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCOC1 |r|
BDBM50328782 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)-n1cccn1 |r|
BDBM50328783 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)c1cccc(c1)C(C)(C)C |r|
BDBM50328784 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(c1)C(C)(C)C |r|
BDBM50328785 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C1CCOC1 |r|
BDBM50328786 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)-n1cccn1 |r|
BDBM50328055 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ccc(CC(C)(C)C)s1 |r|
BDBM50328056 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cc(CC(C)(C)C)cs1 |r|
BDBM50328057 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ncc(o1)C(C)(C)C |r|
BDBM50328058 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1nc(co1)C(C)(C)C |r|
BDBM50328059 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1nc(CC(C)(C)C)cs1 |r|
BDBM50328060 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1csc(CC(C)(C)C)n1 |r|
BDBM50328061 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cnn(CC(C)(C)C)c1 |r|
BDBM50328062 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ccn(CC(C)(C)C)n1 |r|
BDBM50328063 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cn(CC(C)(C)C)nn1 |r|
BDBM81058 [#6]-[#8]-c1c2ccoc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)ccc12
BDBM50254665 C[C@@H](NC(=O)c1cc(O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
BDBM50254666 COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 |r|
BDBM50254667 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#C)c1ccccc1 |r|
BDBM50328022 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(CC(C)(C)C)c1 |r|
BDBM50328023 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(F)cc(c1)C(C)(C)C |r|
BDBM50328024 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(Br)cc(c1)C(C)(C)C |r|
BDBM50328025 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(I)cc(c1)C(C)(C)C |r|
BDBM50328026 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(C)cc(c1)C(C)(C)C |r|
BDBM50328027 COc1cc(cc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)C(C)(C)C |r|
BDBM50328028 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(O)cc(c1)C(C)(C)C |r|
BDBM50328029 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(N)cc(c1)C(C)(C)C |r|
BDBM50328030 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(NS(C)(=O)=O)cc(c1)C(C)(C)C |r|
BDBM50328031 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cc(c1)C(C)(C)C)C(C)=O |r|
BDBM50328032 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ccc(Br)c(c1)C(C)(C)C |r|
BDBM50328033 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccs1 |r|
BDBM50328034 CC(C)c1ccc(s1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
BDBM50328035 CC(C)c1cc(cs1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
BDBM50328036 CC(C)c1csc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
BDBM50328037 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C(C)(C)C |r|
BDBM50328038 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(CC(C)(C)C)cs1 |r|
BDBM50328039 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C#C |r|
BDBM50328040 CCc1csc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
BDBM50328041 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(no1)C(C)(C)C |r|
BDBM50328042 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(CC(C)(C)C)no1 |r|
BDBM50328043 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ncc(o1)C(C)(C)C |r|
BDBM50328044 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1nc(co1)C(C)(C)C |r|
BDBM50328045 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cnn(c1)C(C)(C)C |r|
BDBM50328046 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cnn(CC(C)(C)C)c1 |r|
BDBM50328047 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cn(C[Si](C)(C)C)nn1 |r|
BDBM50328048 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:26:29:32.31.36:34,THB:30:31:34:38.29.37,30:29:32.31.36:34,26:29:32:36.35.34,37:29:32:36.35.34,37:35:32:38.30.29|
BDBM50328049 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(ncn1)C(C)(C)C |r|
BDBM50328050 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C |r|
BDBM50328051 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(CC(C)(C)C)c1 |r|
BDBM50328052 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C |r|
BDBM50328053 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cncc(CC(C)(C)C)c1 |r|
BDBM50328054 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cc(CC(C)(C)C)c[n+]([O-])c1 |r|
BDBM50328775 C[C@@H]1C[C@]1(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C(F)F |r|
BDBM50328776 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC1)c1cccc(c1)C(C)(C)C |r|
BDBM50328777 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(CF)CF |r|
BDBM64871 Fc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1
BDBM50330566 O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
BDBM50330567 O[C@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
BDBM50330568 O[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
BDBM50330569 O[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
BDBM50330570 O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
BDBM50330571 O[C@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
BDBM50331544 O=c1ccc2cc3ccoc3cc2o1
BDBM50331545 O=c1ccc2ccc3occc3c2o1
BDBM50330572 O[C@@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
BDBM50330573 O[C@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
BDBM50329110 Cc1cc(C)c(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)c(C)c1
BDBM50329111 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)Nc1ccccc1
BDBM50329112 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)NCc1ccco1
BDBM50329113 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)NCc1ccccc1
BDBM50329114 CCOC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1
BDBM50329115 COc1ccc(CCNC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)cc1OC
BDBM50329116 Cc1cccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCC4)N4CCCC4)cc3s2)c1C
BDBM50329117 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)NCCOc1ccccc1
BDBM50329118 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1)N1c2ccccc2CCc2ccccc12
BDBM50329119 CCOc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)cc1
BDBM50329120 COc1ccc(OC)c(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)c1
BDBM50329121 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)c1ccccc1
BDBM50329122 Fc1ccc(cc1)C(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2s1
BDBM50329123 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2s1)Nc1ccccc1
BDBM50329124 O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1)NCc1ccccc1
BDBM50329125 Clc1ccccc1NC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1
BDBM50329126 CCOc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)cc1
BDBM50329571 COCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:14|
BDBM50329572 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(OCC(F)F)c1 |r,c:3|
BDBM50329573 CN1C(N)=N[C@@](C1=O)(c1cccc(c1)C#CC1CC1)c1ccc(OC(F)F)c(C)c1 |r,c:3|
BDBM50329574 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CCF |r,c:3|
BDBM50329575 CCCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |r,t:14|
BDBM50329576 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CCCCF |r,c:3|
BDBM50329577 CC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:12|
BDBM50341162 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccccc3)[C@@H]2O)c1 |r|
BDBM50341163 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1 |r|
BDBM50341164 CCCOc1cccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)c1 |r|
BDBM50341165 CCCOCc1cccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)c1 |r|
BDBM50341166 COc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)cc1Br |r|
BDBM50341167 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1 |r|
BDBM50341168 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Cc4cccc(C)c4)c3)[C@@H]2O)c1 |r|
BDBM50341169 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 |r|
BDBM50341170 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1 |r|
BDBM50341171 CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)ccc1O |r|
BDBM50341172 CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)ccc1O |r|
BDBM50341173 CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)ccc1O |r|
BDBM50341174 CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 |r|
BDBM50341175 CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)cc1Br |r|
BDBM50341176 CCCN1[C@@H](Cc2cc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)C)[C@H]3O)ccc2O)COC1=O |r|
BDBM50341177 CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c1 |r|
BDBM50341178 N[C@H]1CS(=O)(=O)C[C@@H](Cc2ccc(O)c(Br)c2)[C@@H]1O |r|
BDBM50341179 O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1ccccc1 |r|
BDBM50341180 CC(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 |r|
BDBM50341181 CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 |r|
BDBM50341182 CC(C)Oc1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 |r|
BDBM50341183 CC(C)c1cccc(CN[C@H]2COC[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 |r|
BDBM50341184 O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1cccc(c1)C1CC1 |r|
BDBM50341185 O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1cc(Cl)cc(Cl)c1 |r|
BDBM50329528 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC(F)(F)F)c1 |r,c:3|
BDBM50329529 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC#N)c1 |r,c:3|
BDBM50329530 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(=O)CCCF |r,c:3|
BDBM50329531 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(F)CCCF |r,c:3|
BDBM50329532 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCF)c1 |r,c:3|
BDBM50329533 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CC(F)F)c1 |r,c:3|
BDBM50329534 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\C2CC2)c1 |r,c:3|
BDBM50329535 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(\F)=C/C1CC1 |r,c:3|
BDBM50329536 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(\F)=C\C1CC1 |r,c:3|
BDBM50329537 COC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
BDBM50329538 COCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:14|
BDBM50329539 COCCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:15|
BDBM50329540 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCO)c1 |r,c:3|
BDBM50329541 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCCO)c1 |r,c:3|
BDBM50329542 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#C |r,c:3|
BDBM50329543 CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:11|
BDBM50329544 CCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:12|
BDBM50329545 CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
BDBM50329546 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCF |r,c:3|
BDBM50329547 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCF |r,c:3|
BDBM50329548 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCF |r,c:3|
BDBM50329549 CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
BDBM50329550 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1 |r,c:3|
BDBM50329551 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CCCCC1 |r,c:3|
BDBM50329552 COCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
BDBM50329553 COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:14|
BDBM50329554 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCO |r,c:3|
BDBM50329555 C[C@@H](O)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
BDBM50329556 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCO |r,c:3|
BDBM50329557 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCF)c1 |r,c:3|
BDBM50329558 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCCF)c1 |r,c:3|
BDBM50329559 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCCCF)c1 |r,c:3|
BDBM50329560 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC(F)(F)F)c1 |r,c:3|
BDBM50329561 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCC2CC2)c1 |r,c:3|
BDBM50329562 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OC(F)F)c1 |r,c:3|
BDBM50329563 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCC(F)F)c1 |r,c:3|
BDBM50329564 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCC(F)F)c1 |r,c:3|
BDBM50329565 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC(F)F)c1 |r,c:3|
BDBM50329566 [#6]-[#7]-1-[#6](-[#7])=[#7][C@]([#6]-1=O)(c1ccc(-[#8]-[#6](F)F)cc1)c1ccc(F)c(-[#8]-[#6]-[#6]\[#6]=[#6](\F)F)c1 |r,c:3|
BDBM50329567 [#6]-[#7]-1-[#6](-[#7])=[#7][C@]([#6]-1=O)(c1ccc(-[#8]-[#6](F)F)cc1)c1cccc(-[#8]-[#6]-[#6]\[#6]=[#6](\F)F)c1 |r,c:3|
BDBM50329568 COCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |r,t:14|
BDBM50329569 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3|
BDBM50329570 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3|
BDBM50340581 FC(F)(F)c1ccc(cc1)C1=CC(=O)C(=CC1=O)c1ccccc1 |c:15,t:11|
BDBM50340582 Oc1ccc(cc1)C1=CC(=O)c2ccccc2C1=O |t:8|
BDBM50340583 Oc1cccc2C(=O)C=C(C(=O)c12)c1ccccc1 |c:8|
BDBM50340584 COc1ccc(cc1)-c1cc(O)cc(c1O)-c1ccccc1
BDBM50340585 O=C1C=C(C(=O)c2ccccc12)c1ccccc1 |c:2|
BDBM50340586 COc1cccc2C(=O)C=C(C(=O)c12)c1ccc(O)cc1 |c:9|
BDBM50340587 COc1ccc(cc1)-c1cc(OC(C)=O)cc(c1OC(C)=O)-c1ccccc1
BDBM50340588 COc1ccc(cc1)C1=CC(=O)c2c(OC)cccc2C1=O |t:9|
BDBM50340589 COc1ccc(cc1)-c1cc(O)cc(-c2ccccc2)c1OC(C)=O
BDBM50340590 O=C1C=C(C(=O)C(=C1)c1ccccc1)c1ccccc1 |c:2,6|
BDBM50340591 CC(=O)Oc1cc(c(OC(C)=O)cc1-c1ccccc1)-c1ccc(cc1)C(F)(F)F
BDBM50340592 Oc1cccc2C(=O)C(=CC(=O)c12)c1ccccc1 |c:8|
BDBM50340593 COc1ccc(cc1)C1=CC(=O)C=C(C1=O)c1ccccc1 |c:13,t:9|
BDBM50340594 Oc1cc(c(O)cc1-c1ccccc1)-c1ccccc1
BDBM50340595 Oc1ccc(cc1)C1=CC(=O)c2c(O)cccc2C1=O |t:8|
BDBM50340596 CC(=O)Oc1cc(c(OC(C)=O)c(c1)-c1ccccc1)-c1ccccc1
BDBM50340597 COc1ccc(cc1)C1=CC(=O)C(=CC1=O)c1ccc(OC)cc1 |c:13,t:9|
BDBM50340598 COc1ccc(cc1)-c1cc(OC(C)=O)c(cc1OC(C)=O)-c1ccc(OC)cc1
BDBM50329515 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,c:3|
BDBM50329516 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)F)c(C)c1 |r,c:3|
BDBM50329517 CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,c:3|
BDBM50329518 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)F)cc1 |r,c:3|
BDBM50329519 COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:10|
BDBM50329520 CN1C(N)=N[C@](C1=O)(c1ccc(OCCF)cc1)c1cccc(c1)-c1cccnc1F |r,c:3|
BDBM50329521 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)(F)F)cc1 |r,c:3|
BDBM50329522 CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OCCF)cc1 |r,c:3|
BDBM50329523 CCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:10|
BDBM50329524 CCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:11|
BDBM50329525 CCCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:12|
BDBM50329526 CCCCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
BDBM50329527 CCC(C)Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
BDBM50330180 COc1ccc2cc(ccc2c1)-c1cn(C[C@@H]2Cc3c(CN2)[nH]c2ccccc32)nn1 |r|
BDBM50271811 CCCN1CC(N(C(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
BDBM50320678 Cc1ccc(NC(=O)c2cc(NC(=O)CCCC(O)=O)ccc2N2CCOCC2)cc1
BDBM50320679 OC(=O)CCCNC(=O)CCCCC(=O)C(c1ccccc1)c1ccccc1
BDBM50320680 CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(O)=O)ccc12
BDBM50320681 CC(C)C(NC(=O)CNC(=O)c1cc(oc1C)-c1ccccc1)C(O)=O
BDBM50320682 COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC(CCSC)C(=O)NNC(=O)Sc1nc2ccccc2s1
BDBM50320683 CC(C)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(O)=O
BDBM50320684 OC(CNC(=O)c1ccccc1NC(=O)c1ccccc1)CNC(=O)c1ccccc1NC(=O)c1ccccc1
BDBM50320685 COc1cc(\C=N/NC(=O)c2ccccc2OCCOc2ccccc2)cc(Br)c1O
BDBM50320686 COc1cccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)c1O
BDBM50320687 CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(COCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1
BDBM50320688 CCOc1cc(C=NNC(=O)COc2ccc(C)cc2)cc(I)c1O |w:6.5|
BDBM50320689 CC(NC(=O)NCCNC(=O)NC(C)C(O)=O)C(O)=O
BDBM50320690 Clc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)cc1
BDBM50320691 COc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)cc1
BDBM50316859 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|
BDBM50316860 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|
BDBM50316861 CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50316862 COc1ccc(cc1OC)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C |r|
BDBM50320667 NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)cc1
BDBM50320668 CCc1ccc(Sc2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2Sc2ccc(CC)cc2)cc1
BDBM50320669 CCOC(=O)C(Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
BDBM50320670 Oc1ccc(cc1CN1CCN(Cc2cc(ccc2O)-c2ccccc2)CC1)-c1ccccc1
BDBM50320671 CCN1CCN(CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1
BDBM50320672 CSc1ccc(cc1)C(O)C(CO)NC(=O)c1cc2C(=O)CC(C)(C)Cc2n(-c2ccc(Cl)cc2)c1=O
BDBM50320673 CCOc1cc(cc(Br)c1O)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)OCc1ccccc1 |c:22,25|
BDBM50320674 CN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)NCCN3CCOCC3)c(O)c2c1
BDBM50320675 FC(F)(F)c1cc(NC(=O)C(NS(=O)(=O)c2cccs2)c2ccccc2)ccc1Cl
BDBM50320676 CCSc1scc(CC)c1C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(Br)cn1 |c:21,24|
BDBM50320677 Clc1ccc(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)c(c1)C(=O)c1ccccc1
BDBM50299238 O=C(Nc1ccncc1)c1ccc2c(Nc3ccccc3NC2=O)c1
BDBM50299239 Fc1ccc(NC(=O)c2ccc3c(Nc4ccccc4NC3=O)c2)cc1
BDBM50299240 O=C(Nc1nc(c[nH]1)-c1ccncc1)c1ccc2c(Nc3ccccc3NC2=O)c1
BDBM50299241 Fc1ccc(cc1)-c1c[nH]c(NC(=O)c2ccc3c(Nc4ccccc4NC3=O)c2)n1
BDBM50299242 O=C(Nc1nc2ccncc2[nH]1)c1ccc2c(Nc3ccccc3NC2=O)c1
BDBM50299243 Fc1ccc2nc(NC(=O)c3ccc4c(Nc5ccccc5NC4=O)c3)[nH]c2c1
BDBM50299244 C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC1CC1)c1ccc(F)cc1 |r|
BDBM50320577 CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1)C(=O)NC(C)c1ccccc1 |r,c:4,14|
BDBM50320578 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
BDBM50320579 C[C@@H](NC(=O)C1=C(C)N(C(C)=C(C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O)c1ccccc1 |r,c:5,10|
BDBM50320580 CCC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(C(C)=C1C(=O)NC(C)c1ccccc1)S(C)(=O)=O |r,c:28,t:23|
BDBM50320581 CC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:19,t:14|
BDBM50320582 CCC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:20,t:15|
BDBM50320583 CCCC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:21,t:16|
BDBM50320584 CC(C)C1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:21,t:16|
BDBM50320585 CC1=C(C(C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N1S(C)(=O)=O)c1ccccc1)C(=O)NOCc1ccccc1 |r,t:1,24|
BDBM50320586 COC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 |r,c:7,31|
BDBM50320587 CCOC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 |r,c:8,32|
BDBM50320588 CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 |r,c:9,33|
BDBM50320589 CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(C)=O |r,c:9,33|
BDBM50320590 CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNc2cccc(F)c2)=C1C)C(C)=O |r,c:9,37|
BDBM50320591 CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:19,t:7|
BDBM50320592 CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(F)c1 |r,c:19,t:7|
BDBM50320593 CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1 |r,c:19,t:7|
BDBM50320594 CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r,c:19,t:7|
BDBM50320595 CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CCCOC(C)=O)C(C)=C1C(=O)OCc1ccccc1 |r,c:34,t:22|
BDBM50320596 CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CC(=O)N(C)C)C(C)=C1C(=O)OCc1ccccc1 |r,c:33,t:22|
BDBM50320597 CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CC(=O)N2CCOCC2)C(C)=C1C(=O)OCc1ccccc1 |r,c:37,t:22|
BDBM50320598 CC(C)N(C)C(=O)CN1C(C)=C(C(C)C(C(=O)OCc2ccccc2)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:10,25|
BDBM50320599 CC(C)OC(=O)CN1C=C(C(C)C(C(=O)OCc2ccccc2)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:8,23|
BDBM50220308 CCCOc1ccc(cc1C)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
BDBM50300725 NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 |t:1,4|
BDBM50300726 NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccc(F)cc2)c1 |t:1,4|
BDBM50300727 NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccccc2)c1 |t:1,4|
BDBM50300728 COc1ccc(Cc2cccc(c2)C2(N=C(N)N3CCCN=C23)c2ccccc2)cc1 |t:15,22|
BDBM50300729 COc1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccccc1 |t:10,17|
BDBM50300730 NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 |r,t:1,4|
BDBM50300731 NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(c1)C(F)(F)F |t:1,4|
BDBM50300732 NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 |r,t:1,4|
BDBM50300733 NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1,4|
BDBM50271861 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC2CC2)C1=O |r|
BDBM50271862 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2OC)C1=O |r|
BDBM50320652 CC1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCCCC1
BDBM50320653 NS(=O)(=O)c1ccc(CCNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)cc1
BDBM50320654 CC1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCN3CCCC3)c2c1
BDBM50320655 CC(=O)Nc1cc(ccc1Sc1ccc(Cl)cc1)C(=O)NCc1cc(F)cc(Cl)c1
BDBM50320656 Oc1c(cnc2ccc(cc12)S(=O)(=O)N1CCc2ccccc2C1)C(=O)NCCc1ccccc1
BDBM50320657 CC1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCOCC1
BDBM50320658 CC(C)c1ccc(cc1)-c1csc(Nc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)n1
BDBM50320659 COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2cccc(C)n2)c2ccccc2c1=O
BDBM50320660 Clc1ccc(CCNC(=O)C2CCC(CNc3[nH]c(=S)nc4ccccc34)CC2)cc1 |(-3.6,-3.41,;-2.27,-2.63,;-2.27,-1.09,;-.94,-.32,;.39,-1.09,;1.72,-.32,;1.72,1.22,;.38,1.99,;.38,3.53,;1.71,4.3,;-.96,4.3,;-2.29,3.53,;-3.62,4.29,;-3.63,5.84,;-4.96,6.6,;-6.29,5.83,;-6.28,4.29,;-4.93,3.51,;-4.93,1.95,;-3.59,1.19,;-6.27,1.18,;-7.61,1.94,;-8.95,1.18,;-10.29,1.95,;-10.28,3.49,;-8.96,4.26,;-7.62,3.5,;-2.3,6.61,;-.96,5.84,;.4,-2.62,;-.93,-3.4,)|
BDBM50320661 NNC(=O)CN1C(c2ccccc2)c2cc(Br)ccc2N=C1CN1CCOCC1 |c:22|
BDBM50320662 CN(C)CCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCc2ccccc2C1
BDBM50320663 CCc1ccc(cc1)N1C(=O)Nc2ccc(Br)cc2C1(O)C(=O)NCC(C)CN1CCC(C)CC1
BDBM50320664 COc1cc2[nH]c(=O)n(Cc3ccc(cc3)C(=O)NCc3ccc(C)cc3)c(=O)c2cc1OC
BDBM50320665 CCCCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM50320666 COc1ccc(OC)c(c1)\N=c1/oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(Cl)cc1
BDBM50276551 CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 |r|
BDBM50364303 OCCN(CCO)c1ccc(NC(=O)c2cnc3cc(Cl)cc(Cl)c3c2O)cc1
BDBM50364304 CSc1ccc2c(O)c(cnc2c1)C(=O)Nc1ccc(cc1)N(CCO)CCO
BDBM50364305 CSc1cccc2c(O)c(cnc12)C(=O)Nc1ccc(cc1)N(CCO)CCO
BDBM50359378 NC1=Nc2ccc(Oc3ccccc3)cc2CN1CCC(=O)NC1C2CC3CC(C2)CC1C3 |t:1,TLB:32:31:29:25.26.27,THB:27:26:23:30.28.29,27:28:23:25.32.26,22:23:29:25.26.27,32:26:23.31.30:29,(1.51,-50.04,;.18,-49.27,;-1.17,-50.03,;-2.5,-49.26,;-3.83,-50.04,;-5.16,-49.27,;-5.16,-47.72,;-6.49,-46.95,;-7.83,-47.73,;-9.16,-46.95,;-10.49,-47.72,;-10.49,-49.26,;-9.15,-50.03,;-7.82,-49.26,;-3.83,-46.95,;-2.5,-47.72,;-1.16,-46.94,;.18,-47.72,;1.51,-46.95,;2.84,-47.73,;4.18,-46.96,;4.18,-45.42,;5.51,-47.73,;6.85,-46.97,;8.08,-45.71,;9.39,-46.23,;10.8,-45.92,;10.85,-44.39,;9.46,-43.78,;8.1,-44.22,;8.39,-44.99,;8.36,-46.58,;9.76,-47.17,)|
BDBM50361662 CCN(CCCCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1OC |w:9.9|
BDBM50357470 CCC(C)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc1ccccc1 |r|
BDBM50357471 CCC(C)[C@@]1(N)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc2ccccc2)C1=O |r|
BDBM50357472 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3ccccc3CN2)C1=O)NC(C)=O |r|
BDBM50357473 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3ccccc3CN2)C1=O)NC(C)=O |r|
BDBM50357474 CC(C)C[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3ccccc3CN2)C1=O)NC(C)=O |r|
BDBM50357475 CCCOc1cccc2CC(NCc12)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O |r|
BDBM50357476 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O |r|
BDBM50357477 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O |r|
BDBM50357478 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3cccc(O)c3CN2)C1=O)NC(C)=O |r|
BDBM50357479 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1Cc2ccccc2CN1 |r|
BDBM50357480 CCCS(=O)(=O)[C@@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O |r|
BDBM50357481 CCCN(CCC)C(=O)c1cc(cc(c1)-c1ncco1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)S(=O)(=O)CCC |r|
BDBM50357482 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)S(=O)(=O)c2ccccc2)C1=O)NC(C)=O |r|
BDBM50357483 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)S(=O)(=O)Cc2ccc(F)cc2)C1=O)NC(C)=O |r|
BDBM50357484 CCCC[C@@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)S(=O)(=O)CCC)C1=O |r|
BDBM50357485 CCCCN(C)C(=O)n1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)c2cccnc12 |r|
BDBM50357486 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O |r|
BDBM50357487 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O |r|
BDBM50357488 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)C1=O)NC(C)=O |r|
BDBM50357489 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O)NC(C)=O |r|
BDBM50357490 CCCS[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O |r|
BDBM50357491 CCCS(=O)(=O)[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O |r|
BDBM50359501 C[C@H](N)Cc1ccc(O)cc1 |r|
BDBM50360214 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50360215 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50358927 c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
BDBM50358928 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
BDBM50358929 COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
BDBM50358930 Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccc(F)cc2n1
BDBM50358931 C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccccc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50358932 COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50358933 C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50358934 C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50358935 COc1cccc(c1)-c1c[nH]c(n1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
BDBM50358936 C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50358937 CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccccc2[nH]1
BDBM50358938 CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
BDBM50358939 COc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C
BDBM50358940 CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
BDBM50358941 CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccc(F)cc2[nH]1
BDBM50358942 COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1nc2ccccn2c1NC(C)(C)C
BDBM50343136 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(cc(-[#8])cc2=O)oc1-c1ccc(-[#8])c2-[#6]=[#6]C([#6])([#6])[#8]-c12 |c:26|
BDBM50343137 [#6]\[#6](-[#6])=[#6]\[#6]-1-[#8]-c2cc(-[#8])ccc2-c2oc3c4-[#6]=[#6]C([#6])([#6])[#8]-c4cc(-[#8])c3c(=O)c12 |c:18|
BDBM50343138 CC(C)(O)CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O |c:11|
BDBM50343139 C\C(CO)=C\Cc1c(oc2c3C=CC(C)(CO)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O |c:11|
BDBM50343140 CC(C)(O)C1Cc2c(oc3c4C=CC(C)(C)Oc4cc(O)c3c2=O)-c2ccc(O)cc2O1 |c:11|
BDBM50357703 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1 |r|
BDBM50357704 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
BDBM50357705 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](C(C)C)C2=O)c1 |r|
BDBM50357706 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](CC(C)C)C2=O)c1 |r|
BDBM50357707 COC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
BDBM50357708 CCC(C)[C@]1(CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O)NC(C)=O |r|
BDBM50357709 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O |r|
BDBM50357710 CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O |r|
BDBM50357711 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccc2)C1=O)NC(C)=O |r|
BDBM50357712 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O)NC(C)=O |r|
BDBM50357713 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2cccnc2)C1=O)NC(C)=O |r|
BDBM50357714 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](N)CN2)C1=O)NC(C)=O |r|
BDBM50357715 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](N)CN2)C1=O)NC(C)=O |r|
BDBM50357716 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccc(c2)C(F)(F)F)C1=O)NC(C)=O |r|
BDBM50357717 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccc(c2)C#N)C1=O)NC(C)=O |r|
BDBM50357718 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccc(F)cc2)C1=O)NC(C)=O |r|
BDBM50357719 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccn2)C1=O)NC(C)=O |r|
BDBM50357720 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccnc2)C1=O)NC(C)=O |r|
BDBM50357721 CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
BDBM50357722 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1 |r|
BDBM50357723 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
BDBM50357724 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](C(C)C)C2=O)c1 |r|
BDBM50357725 COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](CC(C)C)C2=O)c1 |r|
BDBM50357726 COC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
BDBM50357727 CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
BDBM50357728 CC(C)C[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O)NC(C)=O |r|
BDBM50357729 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O)NC(C)=O |r|
BDBM50357730 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O |r|
BDBM50357731 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@@](CC(C)C)(NC(C)=O)C1=O |r|
BDBM50357732 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O |r|
BDBM50357733 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCCC)C1=O |r|
BDBM50357734 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](C(C)C)C1=O |r|
BDBM50357735 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](CC(C)C)C1=O |r|
BDBM50357736 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](COC)C1=O |r|
BDBM50357737 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H]([C@H](O)CCC)C1=O |r|
BDBM50357738 CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCCC)C1=O |r|
BDBM50357739 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H](C(C)C)C1=O |r|
BDBM50357740 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H](CC(C)C)C1=O |r|
BDBM50357741 CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H]([C@H](O)CCC)C1=O |r|
BDBM50357742 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)CN2)C1=O)NC(C)=O |r|
BDBM50357743 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)CN2)C1=O |r|
BDBM50357744 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O)NC(C)=O |r|
BDBM50357745 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O |r|
BDBM50357746 CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O |r|
BDBM50357747 CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O |r|
BDBM50357748 CC(C)C[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O |r|
BDBM50357749 CC(C)C[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O |r|
BDBM50357750 CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccc2)C1=O)NC(C)=O |r|
BDBM50360514 Oc1ccc(C(=O)\C=C\c2ccccc2Cl)c(O)c1
BDBM50361333 Nc1nc(Cc2ccc(cc2)-c2cccc3oc4ccccc4c23)cn1Cc1ccccc1Cl
BDBM50361334 Nc1nc(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cn1Cc1cc(F)cc(F)c1
BDBM50361335 COc1cc(OC)cc(c1)-c1ccc(Cc2cn(Cc3cc(F)cc(F)c3)c(N)n2)cc1
BDBM50361336 COc1cc(OC)cc(c1)-c1ccc(Cc2cn(Cc3ccc(F)cc3)c(N)n2)cc1
BDBM50346124 Clc1cccc(Cc2cnc(NC(=O)c3ccc(CSc4nnc(-c5ccncc5)n4-c4ccccc4)cc3)s2)c1Cl
BDBM50346125 Cc1cc(C)nc(NC(Nc2cccc(c2)[N+]([O-])=O)=NC(=O)N2c3ccccc3Sc3ccccc23)n1 |w:19.20|
BDBM50346126 Fc1ccc(cc1)-c1cc(nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C#N)-c1ccccc1 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
BDBM50346127 CCc1nnc(NC(=O)CSc2nc(cc(-c3ccccc3)c2C#N)-c2ccc(F)cc2)s1
BDBM50346128 COc1ccc(cc1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(SCC(=O)N(c2ccccc2)c2ccc3ccccc3c2)n1
BDBM50346129 Cc1nn(c(Cl)c1C1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1)-c1ccccc1
BDBM50346130 Cc1nc(NC(NC(=O)Nc2ccccc2)=NC(=O)Nc2ccccc2)nc2ccccc12 |w:16.17|
BDBM50346131 O=C(CSc1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccccc1)c1c[nH]c2ccccc12
BDBM50346132 Clc1ccc(Cn2cc(cn2)N(S(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1Cl
BDBM50346133 [O-][N+](=O)c1cccc(NC(=O)CSc2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)c1
BDBM50346134 Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(cs3)-c3ccccc3)n2C)cc1
BDBM50346135 Fc1ccccc1NC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2s1
BDBM50346136 O=C(COC(=O)CSc1nc(cc(n1)-c1ccccc1)-c1ccccc1)Nc1sc2CCCCc2c1C#N
BDBM50346137 FC(F)(C(=O)Nc1sc2CCCCCCc2c1C#N)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc2CCCCCCc2c1C#N
BDBM86002 Oc1ccccc1\C=C\C(=O)c1ccccc1
BDBM50361372 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1
BDBM50361373 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1
BDBM50361374 COc1cc2ccc(=O)oc2cc1OC
BDBM50361375 [#6]-[#8]-c1cc2oc(=O)ccc2cc1-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50361376 CC1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12 |r|
BDBM50361377 CC(C)(O)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 |r|
BDBM50361378 Oc1c2occc2cc2ccc(=O)oc12
BDBM50361379 CC1(C)O[C@@H]1COc1c2occc2cc2ccc(=O)oc12 |r|
BDBM50361380 CC(C)(O)C(O)COc1c2occc2cc2ccc(=O)oc12
BDBM50361381 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
BDBM50361382 Oc1c2ccoc2c(O)c2oc(=O)ccc12
BDBM50361383 COc1c2ccoc2c(O)c2oc(=O)ccc12
BDBM50361384 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2c(-[#8])c2oc(=O)ccc12
BDBM50361385 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2c(-[#8])c2oc(=O)ccc12
BDBM50361386 COc1c2ccoc2c(OC)c2oc(=O)ccc12
BDBM50361387 [#6]-[#8]-c1c2occc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2ccc(=O)oc12
BDBM50361388 [#6]-[#8]-c1c2occc2c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2ccc(=O)oc12
BDBM50361389 COc1c2ccoc2c(OC[C@H]2OC2(C)C)c2oc(=O)ccc12 |r|
BDBM50361390 COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 |r|
BDBM50361391 [#6]-[#8]-c1c2ccoc2c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)ccc12
BDBM50361392 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)ccc12
BDBM50361393 CC(C)(O)[C@@H]1Cc2c(O1)ccc1ccc(=O)oc21
BDBM50361394 CC1(C)CCc2cc3ccc(=O)oc3cc2O1
BDBM50361395 C\C=C(/C)C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C |r|
BDBM50361396 [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@H]1-[#6]-c2cc3ccc(=O)oc3cc2-[#8]C1([#6])[#6] |r|
BDBM50361397 CC1(C)Oc2ccc3ccc(=O)oc3c2C=C1 |c:17|
BDBM50361398 CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O
BDBM50359196 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |c:4|
BDBM50359197 CN1CC(N)=N[C@](C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,c:4|
BDBM50359198 CN1CC(N)=N[C@@](C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,c:4|
BDBM50359199 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |c:4|
BDBM50359200 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 |c:4|
BDBM50359201 CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2cnc(C)cn2)c1 |c:4|
BDBM50359202 CN1CC(C)(N=C(N)C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |t:5|
BDBM50359203 CN1CC(C)(N=C(N)C1=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:5|
BDBM50357880 C[C@H](CC(=O)[C@]1(CO1)[C@H](C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)[C@@H]1CC3 |r,c:19|
BDBM50356516 OC(CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
BDBM50356517 Cc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)C(=O)c2ccccc2)cc1
BDBM50356518 COc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)C(=O)c2ccccc2)cc1
BDBM50356519 OC(CN(CCc1ccccc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
BDBM50356520 OC(CN(C1CCCCC1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
BDBM50356521 OC(CNc1cccc2ccccc12)Cn1c2ccccc2c2ccccc12
BDBM50356522 OC(CN(C(=O)c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc12
BDBM50356523 OC(CN(C(=O)c1ccc(Cl)cc1)c1ccccc1)Cn1c2ccccc2c2ccccc12
BDBM50356524 COc1ccc(cc1)C(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1
BDBM50356525 OC(CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1)Cn1c2ccccc2c2ccccc12
BDBM50356526 OC(CN(C(=O)c1ccccc1)c1ccc(cc1)C(F)(F)F)Cn1c2ccccc2c2ccccc12
BDBM50356527 OC(CN(C(=O)c1ccccc1)c1ccc(cc1)[N+]([O-])=O)Cn1c2ccccc2c2ccccc12
BDBM50356528 OC(CN(C(=O)c1ccccc1)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12
BDBM50356529 OC(CN(C(=O)c1ccccc1)c1ccc(F)cc1)Cn1c2ccccc2c2ccccc12
BDBM50356530 Cc1ccc(cc1)N(CC(O)Cn1c2ccccc2c2ccccc12)C(=O)c1ccccc1
BDBM50356531 OC(CN(Cc1ccccc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
BDBM50356532 OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12
BDBM50356533 COc1ccc(cc1)C(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1
BDBM50356534 OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1)Cn1c2ccccc2c2ccccc12
BDBM91654 COc1ccc(cc1)-c1nc(SCC(=O)Nc2nc(cs2)-c2ccccc2)[nH]c(=O)c1C#N
BDBM91655 Oc1c(cnc2cc(ccc12)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NCc1ccc2OCOc2c1
BDBM50360712 O=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCOC[C@H]1Cc1ccccc1 |r|
BDBM50360713 Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCOC[C@@H]1c1ccccc1 |r|
BDBM50360714 CS(=O)(=O)c1ccc(cc1)-c1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCOC[C@@H]1c1ccccc1 |r|
BDBM50360715 Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCCCC1c1ccccc1 |r|
BDBM50360716 Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCC(CC1)c1ccccc1 |r|
BDBM50360717 Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1 |r|
BDBM50360718 O=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCC(CC1)c1ccccc1 |r|
BDBM50360719 O=C([C@@H]1CNC[C@]11CCCc2ccccc12)N1CCC(CC1)c1ccccc1 |r|
BDBM50360720 O=C([C@@H]1CNC[C@]11CCCc2ccccc12)N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1 |r|
BDBM50360721 Brc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2c2ccccc2)c2ccccc2)c1 |r|
BDBM50360722 Brc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)c1 |r|
BDBM50360723 Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)n1 |r|
BDBM50360724 Cc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)n1 |r|
BDBM50351097 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1 |r|
BDBM50351098 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1 |r|
BDBM50351099 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1 |r|
BDBM50351100 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1 |r|
BDBM50351101 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 |r|
BDBM50351102 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 |r|
BDBM50351103 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCC1)c1ccccc1 |r|
BDBM50351104 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCC1)c1ccccc1 |r|
BDBM50351105 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCCC1)c1ccccc1 |r|
BDBM50351106 CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCCC1)c1ccccc1 |r|
BDBM50366788 COc1cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O |r|
BDBM50351909 Nc1ccc2cccc(Br)c2n1
BDBM50351910 Nc1ccc2ccc(Br)cc2n1
BDBM50351911 Nc1ccc2c(Br)cccc2n1
BDBM50351912 Nc1ccc2cc(ccc2n1)-c1ccsc1
BDBM50351913 Nc1ccc2cc(ccc2n1)-c1ccccc1
BDBM50351914 Cc1ccccc1-c1ccc2nc(N)ccc2c1
BDBM50351915 Nc1ccc2cc(ccc2n1)-c1ccc(Cl)cc1
BDBM50351916 Nc1ccc2cc(ccc2n1)C1CCCCC1
BDBM50351917 CC(C)(C)C#Cc1ccccc1-c1ccc2nc(N)ccc2c1
BDBM50351918 CN(C1CCCCC1)C(=O)CCc1cc2ccccc2nc1N
BDBM50351919 CN(C1CCCCC1)C(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C
BDBM50351920 Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCCCC3)cc2c1
BDBM50351921 Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCC3CCCCC3)cc2c1
BDBM50351922 Nc1nc2ccccc2cc1CCC(=O)NCC1CCCCC1
BDBM50351923 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1
BDBM50351924 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1 |r|
BDBM50351925 C[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1 |r|
BDBM50351926 CCC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1
BDBM50351927 CC(C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1
BDBM50351928 CCCC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1
BDBM50351929 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCCC(C)(C)C |r|
BDBM50351930 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1ccccc1 |r|
BDBM50351931 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cccnc1
BDBM50351932 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cncs1
BDBM50351933 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cnccn1 |r|
BDBM50351934 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCOCC1 |r|
BDBM50351935 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)N[C@@H]1CCOC(C)(C)C1 |r|
BDBM50351936 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C |r|
BDBM50351937 C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1Cl)C(=O)NCCC(C)(C)C |r|
BDBM50351938 COc1cccnc1-c1ccc2nc(N)c(CC(C)C(=O)NCCC(C)(C)C)cc2c1
BDBM50351939 CC(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C(=O)NCCC(C)(C)C
BDBM50351940 CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C(C)=O)C(=O)NCCC(C)(C)C
BDBM50351941 Nc1ccc2cc(ccc2n1)-c1ccccc1Cl
BDBM50351942 Nc1ccc2cc(ccc2n1)-c1cccc(Cl)c1
BDBM50366841 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366842 CCCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366843 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366844 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366845 CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366846 CCCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366847 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366848 CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50366849 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366850 CC[C@H](C)[C@H](NC(=O)C1CCCCO1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366851 CCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366852 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(c1)C(O)=O
BDBM50366890 CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50366891 CC[C@H](C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
BDBM50352847 COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccsc1 |t:17|
BDBM50352848 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cnccn1 |c:3|
BDBM50352849 CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11|
BDBM50352850 CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:9|
BDBM50352851 CCC(=O)c1cc(cs1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:11|
BDBM50352852 CCn1cc(cn1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:9|
BDBM50352853 CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F |r,c:3|
BDBM50352854 CCC(=O)c1cc(cs1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:11|
BDBM50352855 CN1C(N)=NC(C1=O)(c1cnn(C)c1)c1cccc(c1)-c1cncnc1 |c:3|
BDBM50352856 CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:9|
BDBM50352857 CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:9|
BDBM50352858 CN1C(N)=NC(C1=O)(c1cnn(CC(F)(F)F)c1)c1ccc(F)c(c1)-c1cncnc1 |c:3|
BDBM50352859 CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:10|
BDBM50352860 CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
BDBM50352861 CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:12|
BDBM50352862 CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cncnc1 |c:3|
BDBM50352863 CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
BDBM50352864 CN1C(N)=NC(C1=O)(c1cnn(c1)C1CCCC1)c1cccc(c1)-c1cncnc1 |c:3|
BDBM50352865 CN1C(N)=NC(C1=O)(c1cnn(CCC2CCCCC2)c1)c1cccc(c1)-c1cncnc1 |c:3|
BDBM50352866 CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1 |c:3|
BDBM50352867 CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1F |c:3|
BDBM50352868 CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |t:9|
BDBM50352869 CN1C(N)=NC(C1=O)(c1cnn(CCF)c1)c1cccc(c1)-c1cccnc1F |c:3|
BDBM50352870 CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |t:10|
BDBM50352871 CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11|
BDBM50352872 CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:12|
BDBM50352873 CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cccnc1F |c:3|
BDBM50352874 CCC(CC)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:13|
BDBM50352875 CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11|
BDBM50352876 CN1C(N)=NC(C1=O)(c1cnn(c1)C1CCCC1)c1cccc(c1)-c1cccnc1F |c:3|
BDBM50352877 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cncnc1 |c:3|
BDBM50352878 CN1C(N)=NC(C1=O)(c1csc(C)c1)c1cccc(c1)-c1cncnc1 |c:3|
BDBM50352879 CN1C(N)=NC(C1=O)(c1ccsc1C)c1cccc(c1)-c1cncnc1 |c:3|
BDBM50352880 CCc1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:9|
BDBM50352881 CCc1cc(c(C)s1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:10|
BDBM50352882 CN1C(N)=NC(C1=O)(c1csc(Cl)c1)c1cccc(c1)-c1cncnc1 |c:3|
BDBM50352883 CN1C(N)=NC(C1=O)(c1cc(C)sc1Cl)c1cccc(c1)-c1cncnc1 |c:3|
BDBM50352884 CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
BDBM50352885 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1 |c:3|
BDBM50352886 CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F |c:3|
BDBM50346957 COc1cccc(CNC[C@H](Cc2ccccc2)n2cc(nn2)-c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1 |r|
BDBM50346958 C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(nn1)[C@H](CNCc1cccc(Br)c1)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 |r|
BDBM50346959 OC1CC(Nc2cccc(c2)-c2cn(nn2)[C@H](CNCc2cccc(Br)c2)Cc2ccccc2)C(O)CC1Nc1cccc(c1)C#C |r|
BDBM50346960 OC1CC(O)C(CC1Nc1cccc(c1)C#C)Nc1cccc(c1)-c1cn(nn1)[C@H](CNCc1cccc(Br)c1)Cc1ccccc1 |r|
BDBM50351015 Clc1ccc2c(NCCCCCCCNc3c4Cc5ccccc5-c4nc4ccccc34)c3CCCCc3nc2c1
BDBM50351019 C(CCCNc1c2Cc3ccccc3-c2nc2ccccc12)CCCNc1c2Cc3ccccc3-c2nc2ccccc12
BDBM50370144 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50387087 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C=O |r|
BDBM50387088 C(Nc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)c1ccc2OCOc2c1
BDBM50387089 COc1cc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc(OC)c1OC
BDBM50387090 COc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
BDBM50387091 Cc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
BDBM50387092 Fc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
BDBM50387093 Clc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
BDBM50387094 Clc1cccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)c1
BDBM50387095 Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1
BDBM50372558 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50372559 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NS(=O)(=O)C(F)(F)F
BDBM50388743 OC(CCn1c2ccccc2c2ccccc12)CSc1ccc2ccccc2c1
BDBM50388744 OC(CSc1ccccc1Cl)Cn1c2CCCCc2c2ccccc12
BDBM50388745 CCc1cccc2ccn(CC(O)CSc3ccccc3Cl)c12
BDBM50388746 OC(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
BDBM50388747 OC(CSc1ccc2ccccc2c1)Cn1c(cc2ccccc12)-c1ccccc1
BDBM50388748 OC(COc1ccc(Cc2ccccc2)cc1)CSc1ccccc1Cl
BDBM50388749 C(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
BDBM50388750 O[C@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 |r|
BDBM50388751 O[C@@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 |r|
BDBM50388752 O=C(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
BDBM50388753 NC(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
BDBM50388754 NCCNC(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
BDBM50388755 C(Sc1ccc2ccccc2c1)C(Cn1c2ccccc2c2ccccc12)N1CCNCC1
BDBM50388756 OC(CCSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
BDBM50388757 OC(CSc1ccc2ccccc2c1)C(O)Cn1c2ccccc2c2ccccc12
BDBM50388758 OC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12
BDBM50388759 OC(CSc1ccc2ccccc2c1)CSc1ccc2ccccc2c1
BDBM50388760 OC(CCn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12
BDBM50388761 OC(Cn1c2ccccc2c2ccccc12)C(O)Cn1c2ccccc2c2ccccc12
BDBM50388762 OC(CSc1ccc2ccccc2c1)Cn1ccc2ccccc12
BDBM50388763 Cc1ccccc1SCC(O)Cn1c2CCCc2c2ccccc12
BDBM50388764 OC(CSc1ccccc1F)Cn1c2CCCCc2c2ccccc12
BDBM50388765 COc1ccc(SCC(O)Cn2c3CCCCc3c3ccccc23)cc1
BDBM50388766 OC(CSc1ccccc1F)Cn1c2ccccc2c2ccccc12
BDBM50388767 Nc1cccc(SCC(O)Cn2c3ccccc3c3ccccc23)c1
BDBM50388768 OC(CSc1ccc(O)cc1)Cn1c(cc2ccccc12)-c1ccccc1
BDBM50388769 OC(CSc1ccccc1O)Cn1c(cc2ccccc12)-c1ccccc1
BDBM50388770 CCc1ccccc1SCC(O)Cn1c(cc2ccccc12)-c1ccccc1
BDBM50388771 OC(COc1ccc(Cc2ccccc2)cc1)CSc1ccc(O)cc1
BDBM50389510 CN(C1CCCCC1)C(=O)OC[C@@H](C1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
BDBM50389511 CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
BDBM50389512 Cc1nc(CN(C2CCCCC2)C(=O)OC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 |r,c:42|
BDBM50387250 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50387251 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50387252 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(O)=O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50387253 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50387254 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50387255 Cc1cc(cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50387256 O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
BDBM50389513 Cc1nc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 |r,c:42|
BDBM50389514 CC(N(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)c1csc(C)n1 |r,c:39|
BDBM50389515 Cc1nc(CCN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 |r,c:43|
BDBM50389516 CC(C)c1nc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 |r,c:44|
BDBM50389517 COCc1nc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 |r,c:44|
BDBM50389518 Cn1cc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cn1 |r,c:42|
BDBM50389519 NC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(Cc1cn[nH]c1)C1CCCCC1)C1CCCCC1 |r,t:1|
BDBM50389520 Cc1[nH]ncc1CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:45|