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303 SMILES Strings for ITGA5/ITGB1

Compound NameSMILES String
BDBM50001757 Cc1cccc(NCCCOc2ccc(C[C@@H](CC(O)=O)NC(=O)c3ccccc3)cc2)n1 |r|
BDBM50001761 COc1ccnc(NCCCOc2ccc(C[C@@H](CC(=O)NO)NS(=O)(=O)c3ccc(C)cc3)cc2)c1 |r|
BDBM50001762 COc1ccnc(NCCCOc2ccc(C[C@@H](CC(O)=O)NC(=O)c3ccc(F)cc3)cc2)c1 |r|
BDBM50001759 COc1ccnc(NCCCOc2ccc(C[C@@H](CC(O)=O)NS(=O)(=O)c3ccc(C)cc3)cc2)c1 |r|
BDBM50001760 COc1ccnc(NCCCOc2ccc(C[C@@H](CC(=O)NO)NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 |r|
BDBM50001758 COc1ccnc(NCCCOc2ccc(C[C@@H](CC(O)=O)NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 |r|
BDBM50004058 CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
BDBM50004062 NCCCCCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1
BDBM50004065 CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(O)=O
BDBM50003851 [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50030034 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O
BDBM50030072 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]C1([#6]-[#6]-[#6]-[#6]1)[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O
BDBM50030049 N[C@H]1CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:22.89,72.74,1.0,wD:49.51,89.92,37.38,11.11,26.27,61.63,(-3.78,-2.69,;-2.48,-3.51,;-1.54,-2.28,;-.41,-1.23,;.88,-.39,;2.3,.23,;3.78,.59,;3.54,2.12,;5.32,.7,;6.85,.55,;7.13,2.07,;8.34,.14,;8.59,1.67,;9.74,-.51,;8.97,.81,;9.75,2.15,;11.28,2.14,;12.05,.81,;11.28,-.52,;11,-1.39,;12.1,-2.47,;13,-3.73,;13.66,-5.12,;14.1,-6.6,;14.28,-8.12,;15.81,-8.08,;14.18,-9.65,;15.71,-9.88,;16.83,-8.97,;18.26,-9.54,;19.48,-8.62,;20.9,-9.19,;22.13,-8.25,;21.11,-10.73,;13.84,-11.17,;13.25,-12.58,;14.61,-13.3,;12.42,-13.87,;13.65,-14.82,;15.18,-14.82,;15.94,-13.49,;17.48,-13.45,;18.26,-14.78,;19.81,-14.74,;17.52,-16.12,;15.99,-16.15,;11.39,-15.02,;10.17,-15.99,;11.02,-17.26,;8.81,-16.71,;9.43,-18.11,;10.96,-18.3,;11.87,-17.06,;11.57,-19.71,;7.36,-17.21,;5.83,-17.45,;5.94,-18.99,;4.3,-17.41,;2.78,-17.13,;1.33,-16.6,;.69,-18,;,-15.84,;-.88,-17.1,;-.22,-18.49,;-1.1,-19.76,;-.44,-21.15,;-1.33,-22.41,;-.68,-23.8,;-2.87,-22.28,;-1.18,-14.86,;-2.18,-13.67,;-3.44,-14.58,;-2.97,-12.36,;-4.36,-13.02,;-4.46,-14.56,;-3.29,-15.56,;-3.87,-16.99,;-5.41,-16.87,;-5.78,-15.37,;-3.53,-10.91,;-3.83,-9.41,;-5.37,-9.58,;-3.87,-7.86,;-3.66,-6.34,;-3.18,-4.88,;-4.61,-4.28,;15.11,-4.56,;16.3,-5.52,;15.35,-3.04,;16.78,-2.49,;17.98,-3.45,;19.42,-2.89,;20.61,-3.86,;22.05,-3.3,;23.26,-4.28,;24.68,-3.73,;23.02,-5.8,;17.02,-.97,;18.46,-.41,;15.81,.01,)|
BDBM50030029 CCCCOc1ccc(C[C@@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)cc1 |wU:73.90,37.37,51.52,wD:14.14,91.93,10.9,62.63,77.79,26.26,(24.27,-15.51,;22.72,-15.55,;21.92,-14.23,;20.38,-14.29,;19.57,-12.98,;18.03,-13.03,;17.31,-14.38,;15.76,-14.44,;14.96,-13.12,;13.42,-13.12,;12.2,-12.18,;11.16,-13.33,;9.95,-14.27,;10.79,-15.57,;8.59,-15.01,;9.21,-16.42,;10.74,-16.58,;11.65,-15.34,;11.35,-18.01,;7.13,-15.49,;5.61,-15.73,;5.72,-17.27,;4.07,-15.72,;2.55,-15.44,;1.11,-14.9,;.46,-16.29,;-.22,-14.12,;-1.1,-15.4,;-.44,-16.79,;-1.33,-18.05,;-.67,-19.45,;-1.55,-20.71,;-.9,-22.1,;-3.09,-20.58,;-1.41,-13.14,;-2.41,-11.98,;-3.66,-12.86,;-3.2,-10.66,;-4.58,-11.33,;-4.68,-12.86,;-3.51,-13.85,;-4.09,-15.29,;-5.63,-15.18,;-6,-13.68,;-3.75,-9.22,;-4.05,-7.7,;-5.58,-7.89,;-4.09,-6.16,;-3.88,-4.65,;-3.41,-3.18,;-4.83,-2.57,;-2.7,-1.81,;-4,-.98,;-1.76,-.59,;-.63,.46,;.65,1.31,;2.07,1.93,;3.56,2.3,;3.32,3.83,;5.1,2.41,;6.63,2.24,;6.91,3.76,;8.11,1.83,;8.22,3.42,;9.5,1.18,;11.05,1.18,;11.82,2.5,;11.06,3.84,;9.52,3.84,;8.74,2.51,;10.77,.3,;11.87,-.78,;12.77,-2.04,;13.44,-3.41,;13.87,-4.89,;14.05,-6.42,;15.57,-6.39,;13.96,-7.96,;15.48,-8.18,;16.68,-7.31,;18.03,-8.02,;19.33,-7.19,;20.7,-7.89,;22.01,-7.07,;20.77,-9.44,;13.61,-9.46,;13.02,-10.88,;14.38,-11.59,;14.88,-2.87,;16.07,-3.83,;15.11,-1.33,;16.55,-.78,;17.75,-1.76,;19.19,-1.2,;20.39,-2.17,;21.82,-1.61,;23.03,-2.57,;24.45,-2.02,;22.79,-4.11,;16.79,.74,;18.23,1.3,;15.59,1.7,;15.67,-11.76,;17.21,-11.72,)|
BDBM50030069 N[C@H]1CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:22.89,72.74,1.0,wD:49.51,89.92,37.38,11.11,26.27,61.63,(-3.53,-2.5,;-2.24,-3.33,;-1.3,-2.11,;-.17,-1.05,;1.11,-.21,;2.54,.41,;4.02,.77,;3.79,2.29,;5.55,.88,;7.09,.72,;7.37,2.24,;8.57,.31,;8.68,1.66,;9.96,-.32,;9.19,1.01,;9.96,2.36,;11.52,2.35,;12.29,1.01,;11.52,-.32,;11.23,-1.22,;12.33,-2.29,;13.23,-3.55,;13.9,-4.93,;14.32,-6.41,;14.51,-7.94,;16.03,-7.9,;14.42,-9.48,;15.94,-9.7,;17.12,-8.68,;18.54,-9.22,;19.75,-8.26,;21.19,-8.82,;22.38,-7.85,;21.43,-10.33,;14.07,-10.98,;13.47,-12.4,;14.83,-13.11,;12.66,-13.7,;13.88,-14.64,;15.44,-14.64,;16.16,-13.26,;17.69,-13.21,;18.51,-14.53,;20.05,-14.46,;17.79,-15.88,;16.25,-15.93,;11.62,-14.84,;10.4,-15.79,;11.25,-17.08,;9.05,-16.53,;9.66,-17.93,;11.2,-18.11,;12.12,-16.88,;11.81,-19.51,;7.59,-17.01,;6.07,-17.26,;6.18,-18.79,;4.53,-17.23,;3.02,-16.95,;1.57,-16.42,;.93,-17.81,;.24,-15.65,;-.63,-16.92,;.02,-18.3,;-.87,-19.57,;-.2,-20.97,;-1.09,-22.23,;-.44,-23.62,;-2.64,-22.1,;-.94,-14.66,;-1.94,-13.49,;-3.2,-14.4,;-2.74,-12.18,;-4.11,-12.84,;-4.22,-14.38,;-3.05,-15.37,;-3.63,-16.8,;-5.16,-16.69,;-5.53,-15.19,;-3.28,-10.73,;-3.59,-9.22,;-5.13,-9.4,;-3.63,-7.68,;-3.41,-6.16,;-2.94,-4.7,;-4.37,-4.1,;15.34,-4.39,;16.55,-5.35,;15.57,-2.86,;17.01,-2.3,;18.21,-3.28,;19.66,-2.72,;20.84,-3.68,;22.28,-3.13,;23.49,-4.1,;24.91,-3.54,;23.25,-5.63,;17.25,-.78,;18.69,-.23,;16.06,.18,)|
BDBM50030048 [H][C@]1(NC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](C)CC |wU:27.91,78.80,5.5,1.0,wD:55.57,91.94,42.43,16.16,31.32,67.69,102.106,(-3.35,-7.68,;-2.17,-9.12,;-1.95,-7.6,;-1.48,-6.14,;-2.9,-5.55,;-.76,-4.77,;-2.07,-3.95,;.15,-3.54,;1.3,-2.49,;2.58,-1.65,;4,-1.03,;5.5,-.67,;5.26,.86,;7.04,-.56,;8.56,-.71,;8.85,.81,;10.06,-1.12,;10.13,.42,;11.45,-1.76,;10.68,-.43,;11.45,.9,;12.99,.89,;13.75,-.44,;12.99,-1.77,;12.71,-2.66,;13.81,-3.73,;14.71,-4.99,;15.38,-6.38,;15.82,-7.86,;15.99,-9.38,;17.52,-9.34,;15.9,-10.92,;17.43,-11.14,;18.88,-10.29,;20.27,-10.95,;21.53,-10.08,;22.92,-10.74,;24.2,-9.87,;23.03,-12.29,;15.56,-12.44,;14.96,-13.84,;16.33,-14.57,;14.13,-15.14,;15.36,-16.09,;15.75,-17.58,;14.53,-18.51,;14.73,-20.04,;16.14,-20.64,;16.36,-22.16,;17.77,-22.75,;17.38,-19.7,;17.18,-18.17,;13.1,-16.29,;11.88,-17.25,;12.73,-18.53,;10.53,-17.98,;11.14,-19.38,;10.74,-20.87,;11.83,-21.96,;9.25,-21.25,;9.06,-18.48,;7.55,-18.72,;7.65,-20.25,;6,-18.68,;4.49,-18.4,;3.04,-17.86,;2.39,-19.27,;1.71,-17.1,;.83,-18.36,;1.48,-19.75,;.6,-21.03,;1.26,-22.42,;.38,-23.68,;1.04,-25.07,;-1.16,-23.55,;.52,-16.12,;-.48,-14.94,;-1.72,-15.85,;-1.27,-13.62,;-2.65,-14.29,;-2.76,-15.83,;-1.59,-16.83,;-2.16,-18.25,;-3.7,-18.14,;-4.07,-16.64,;-1.82,-12.18,;-2.12,-10.68,;-3.65,-10.84,;16.82,-5.82,;18.02,-6.79,;17.06,-4.3,;18.49,-3.75,;19.7,-4.71,;21.14,-4.16,;22.34,-5.12,;23.77,-4.56,;24.97,-5.55,;26.42,-4.99,;24.73,-7.06,;18.73,-2.23,;20.17,-1.67,;17.54,-1.25,;-3.7,-9.05,;-4.4,-7.66,;-4.56,-10.32,;-6.09,-10.25,)|
BDBM50030066 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030067 CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:67.84,31.31,4.3,45.46,wD:8.8,85.87,56.57,71.73,20.20,(16.96,-15.73,;16.78,-17.24,;18,-18.19,;15.35,-17.85,;14.12,-16.91,;13.09,-18.03,;11.88,-19,;12.72,-20.29,;10.51,-19.73,;11.14,-21.15,;12.67,-21.32,;13.58,-20.07,;13.27,-22.74,;9.07,-20.22,;7.53,-20.45,;7.65,-21.99,;5.99,-20.45,;4.48,-20.17,;3.04,-19.63,;2.38,-21.01,;1.7,-18.85,;.82,-20.13,;1.48,-21.52,;.61,-22.78,;1.26,-24.18,;.37,-25.44,;1.03,-26.84,;-1.16,-25.31,;.52,-17.87,;-.48,-16.71,;-1.72,-17.59,;-1.26,-15.39,;-2.65,-16.05,;-2.76,-17.59,;-1.58,-18.57,;-2.17,-20.01,;-3.7,-19.91,;-4.08,-18.41,;-1.82,-13.95,;-2.13,-12.42,;-3.65,-12.61,;-2.17,-10.88,;-1.95,-9.37,;-1.48,-7.9,;-2.91,-7.3,;-.76,-6.53,;-2.07,-5.71,;.16,-5.32,;1.29,-4.26,;2.59,-3.41,;3.99,-2.8,;5.5,-2.43,;5.25,-.91,;7.03,-2.31,;8.55,-2.48,;8.85,-.96,;10.04,-2.9,;10.57,-1.44,;11.44,-3.54,;10.67,-2.21,;11.46,-.88,;12.99,-.89,;13.75,-2.22,;12.98,-3.55,;12.7,-4.43,;13.81,-5.5,;14.7,-6.76,;15.37,-8.14,;15.81,-9.6,;15.98,-11.14,;17.52,-11.12,;15.89,-12.68,;17.43,-12.91,;18.68,-12.18,;19.87,-13.17,;21.32,-12.63,;22.5,-13.61,;23.94,-13.09,;22.24,-15.12,;15.56,-14.19,;14.96,-15.61,;16.31,-16.31,;16.81,-7.58,;18.01,-8.55,;17.05,-6.05,;18.5,-5.5,;19.69,-6.48,;21.13,-5.92,;22.33,-6.89,;23.76,-6.33,;24.96,-7.3,;26.39,-6.74,;24.72,-8.83,;18.72,-3.98,;20.17,-3.43,;17.54,-3.01,)|
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BDBM50030052 [#6]-[#8]-c1ccc(-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)cc1
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BDBM50030032 COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCCN)NC2=O)C(N)=O)NC(C)=O)cc1
BDBM50030036 CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
BDBM50030044 CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCC[N-]C(N)=[NH2+])NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
BDBM50030046 CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
BDBM50030050 CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
BDBM50030058 CC(C)C[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](N)CCCN=C(N)NC(=O)[C@@H](N)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |w:50.50|
BDBM50030059 CCCCOc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O)[C@@H](C)CC)cc1
BDBM50030062 CC[C@H](C)[C@H]1NC(=O)[C@H](NC(C)=O)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
BDBM50030064 CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
BDBM50030068 CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
BDBM50039573 N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
BDBM50055896 NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10|
BDBM50058239 Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(O)=O
BDBM50074668 CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50074659 CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
BDBM50074661 CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O
BDBM50089005 CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(O)=O
BDBM50098965 Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C
BDBM50107402 N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50106082 COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
BDBM50106083 COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
BDBM50106085 COCCCN(CC(=O)N[C@@H](CC(O)=O)\C=C\C)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
BDBM50106086 COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1
BDBM50110227 Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2ccc(cc2)-c2cccc3ccccc23)c1
BDBM50116474 CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(N)=O)[C@@H](C)O
BDBM50123247 [#6]-c1cc(-[#6])c(c(-[#6])c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1cccc(c1)\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
BDBM50123248 NC(=N)NCc1cccc(c1)-c1ccc(s1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O
BDBM50123249 [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-c1ccc(s1)-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]S(=O)(=O)c1ccccc1)-[#6](-[#8])=O
BDBM50123253 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc(s1)-c1cccc(CNC(N)=N)c1)C(O)=O
BDBM50127296 NC(=N)NCCCNC(=O)[C@H]1CCC(=O)N2C[C@H](CCC(O)=O)[C@H]2C1
BDBM50127297 NC(=N)NCCCNC(=O)C1CCC(=O)N2CC(CCC(O)=O)C2C1
BDBM50127298 NC(=N)NCCCNC(=O)[C@@H]1CCC(=O)N2C[C@H](CCC(O)=O)[C@H]2C1
BDBM50131108 CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
BDBM50131109 CC(C)[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
BDBM50131112 CC(C)[C@H](NC(=O)[C@H]1CC(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(O)=O
BDBM50131113 CC(C)[C@H](N[C@H]1CC(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
BDBM50134778 COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O
BDBM50138306 CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1ncc[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:22|
BDBM50138308 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ncc[nH]3)N(C2)C(=O)OCc2cccnc2)C1)C(O)=O |t:19|
BDBM50138309 OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1ccccc1 |wU:3.2,t:8,(18.08,-.28,;16.75,.49,;16.75,2.03,;15.41,-.27,;14.08,.51,;12.73,-.27,;11.39,.51,;11.41,2.05,;10.06,-.26,;9.9,-1.78,;8.39,-2.09,;7.63,-.76,;8.66,.37,;6.85,-2.08,;5.33,-2.08,;4.56,-.75,;3.02,-.73,;2.25,.6,;.71,.6,;-.2,1.86,;-1.68,1.38,;-1.68,-.16,;-.2,-.64,;5.33,.58,;6.86,.58,;15.39,-1.81,;14.06,-2.58,;16.74,-2.6,;15.39,-3.35,;16.72,-4.12,;16.72,-5.67,;15.37,-6.44,;14.04,-5.66,;14.04,-4.12,)|
BDBM50138310 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNC3N=CC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:28,30,t:19|
BDBM50138311 Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(O)=O |wU:12.37,t:18,(10.17,-7.03,;10.18,-5.49,;11.52,-4.72,;11.52,-3.18,;12.85,-2.41,;10.2,-2.41,;8.86,-3.16,;7.53,-2.39,;8.85,-4.7,;10.21,-.87,;8.88,-1.64,;11.54,-1.64,;10.21,.67,;8.88,1.44,;7.55,.68,;6.22,1.45,;6.22,2.99,;4.88,.69,;4.72,-.84,;3.21,-1.15,;2.45,.18,;3.48,1.32,;1.68,-1.13,;.15,-1.13,;-.61,.2,;-2.15,.2,;-2.92,1.53,;-4.46,1.53,;-5.36,2.79,;-6.83,2.33,;-6.83,.79,;-5.37,.3,;.15,1.53,;1.69,1.52,;11.56,1.44,;12.89,.67,;11.56,2.98,)|
BDBM50138312 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(CN[C@H](CNc3ncc[nH]3)C2)C1)C(O)=O |t:19|
BDBM50138313 CCCCOC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:27|
BDBM50138314 OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1c(Cl)cccc1Cl |wU:3.2,t:8,(17.13,-1.91,;15.8,-1.14,;15.8,.4,;14.45,-1.9,;13.12,-1.13,;11.79,-1.9,;10.46,-1.13,;10.46,.41,;9.12,-1.89,;8.96,-3.41,;7.45,-3.72,;6.7,-2.39,;7.72,-1.26,;5.91,-3.71,;4.39,-3.71,;3.62,-2.38,;2.08,-2.36,;1.33,-1.03,;-.21,-1.03,;-1.11,.23,;-2.58,-.26,;-2.58,-1.8,;-1.12,-2.27,;4.39,-1.05,;5.94,-1.06,;14.45,-3.44,;13.12,-4.21,;15.78,-4.22,;14.44,-4.98,;15.76,-5.75,;17.09,-4.98,;15.76,-7.29,;14.42,-8.06,;13.09,-7.28,;13.1,-5.74,;11.77,-4.96,)|
BDBM50138316 Cc1cccc(C)c1S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(O)=O |wU:11.36,t:17,(16.18,-5.47,;14.85,-6.23,;14.85,-7.77,;13.5,-8.54,;12.17,-7.77,;12.17,-6.23,;10.83,-5.45,;13.52,-5.47,;13.52,-3.93,;12.19,-4.7,;14.87,-4.71,;13.54,-2.38,;12.21,-1.61,;10.86,-2.37,;9.52,-1.6,;9.54,-.05,;8.19,-2.37,;8.03,-3.89,;6.52,-4.21,;5.76,-2.88,;6.79,-1.74,;4.98,-4.19,;3.46,-4.19,;2.69,-2.86,;1.15,-2.85,;.38,-1.52,;-1.16,-1.52,;-2.07,-.26,;-3.55,-.73,;-3.55,-2.28,;-2.07,-2.74,;3.46,-1.53,;4.99,-1.53,;14.88,-1.62,;16.21,-2.39,;14.88,-.08,)|
BDBM50138317 Cc1cc(C)c(c(C)c1)S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1nc3ccccc3[nH]1)CC2)C(O)=O |wU:12.42,t:18,(18.93,-7.62,;18.93,-6.08,;20.29,-5.31,;20.29,-3.77,;21.62,-3,;18.97,-3,;17.63,-3.76,;16.3,-2.97,;17.62,-5.3,;18.98,-1.45,;17.65,-2.22,;20.31,-2.24,;18.98,.09,;17.65,.86,;16.32,.09,;14.99,.86,;14.99,2.4,;13.65,.09,;13.49,-1.43,;11.98,-1.73,;11.23,-.4,;12.25,.72,;10.44,-1.73,;8.92,-1.71,;8.15,-.38,;6.61,-.38,;5.86,.95,;4.32,.95,;3.42,2.21,;1.94,1.74,;.61,2.51,;-.74,1.74,;-.72,.18,;.61,-.58,;1.94,.19,;3.41,-.29,;8.92,.93,;10.46,.93,;20.33,.84,;21.66,.07,;20.33,2.38,)|
BDBM50138318 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19|
BDBM50138319 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ncc[nH]3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |t:19|
BDBM50138321 COC(=O)N1C[C@]2(C[C@H]1CNc1nc3ccccc3[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:24|
BDBM50138323 COC(=O)N1C[C@]2(C[C@H]1CNc1ncc[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:19|
BDBM50138324 OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccccc1 |wU:3.2,t:8,(13,2.29,;11.67,3.06,;11.67,4.6,;10.32,2.3,;8.99,3.07,;7.66,2.3,;6.33,3.07,;6.33,4.61,;4.99,2.31,;4.83,.79,;3.32,.48,;2.57,1.81,;3.59,2.94,;1.78,.49,;.26,.49,;-.51,1.82,;-2.05,1.84,;-2.8,3.17,;-4.34,3.17,;-5.24,4.43,;-6.71,3.94,;-6.71,2.4,;-5.25,1.93,;.26,3.15,;1.8,3.14,;10.32,.76,;11.65,-.02,;8.99,-.01,;10.31,-.78,;8.97,-1.54,;7.64,-.75,;8.96,-3.08,;10.29,-3.86,;11.63,-3.09,;11.63,-1.55,;12.96,-.78,;10.29,-5.4,;11.6,-6.17,;11.6,-7.7,;10.27,-8.48,;8.94,-7.7,;8.94,-6.16,)|
BDBM50139204 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)cc1
BDBM50145407 CC(=O)OC(=O)c1ccccc1C(=O)c1ccc(F)c(c1)[N+]([O-])=O
BDBM50150957 OC(=O)C(CNC(=O)c1cc2cc(OCCONC3=NCCN3)ccc2[nH]1)NS(=O)(=O)c1ccccc1 |t:18|
BDBM50150958 NC(=N)NOCCOc1ccc2[nH]c(cc2c1)C(=O)NCC(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(O)=O
BDBM50161781 CNc1cccc(CCOc2ccc3c(CCC(O)=O)csc3c2)n1
BDBM50161782 CNc1cccc(CCOc2ccc3c(CCC(O)=O)coc3c2)n1
BDBM50161783 CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1
BDBM50161784 OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12
BDBM50168967 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNC3NCC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19|
BDBM50217429 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2cc(Cl)ccn2)N(C1)C(=O)OCc1ccccc1)C(O)=O
BDBM50217421 COC(=O)N1C[C@@H](C[C@H]1CNc1ccccn1)OCC(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O
BDBM50217422 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)c1
BDBM50217423 CC1(CCCCC1)C(=O)N[C@@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C1)C(=O)OCc1ccccc1)C(O)=O
BDBM50217424 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(CCCc2ccccc2)C1)C(O)=O
BDBM50217425 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)OCc2ccccc2)OCC(=O)NC[C@H](NC(=O)C2(C)CCCCC2)C(O)=O)c1
BDBM50217430 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C1)C(=O)CC(C)(C)C)C(O)=O
BDBM50217431 OC(=O)[C@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C1)C(=O)OCc1ccccc1)NS(=O)(=O)c1ccccc1
BDBM50217432 Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C2)C(=O)CC(C)(C)C)C(O)=O)c(C)c1
BDBM50217433 OC(=O)[C@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C1)C(=O)OCc1ccccc1)NC(=O)c1ccccc1
BDBM50217434 Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C(O)=O)c(C)c1
BDBM50217435 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)OCc2ccccc2)OCC(=O)NC[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)c1
BDBM50217436 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C1)C(=O)CCc1ccccc1)C(O)=O
BDBM50217437 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2cccc(C)n2)N(C1)C(=O)OCc1ccccc1)C(O)=O
BDBM50217438 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)CO[C@H]1CN[C@H](CNc2ccccn2)C1)C(O)=O
BDBM50217426 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NC(=O)C2(C)CCCCC2)C(O)=O)c1
BDBM50217427 CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1CNc1ccccn1)OCC(=O)NC[C@H](NC(=O)C1(C)CCCCC1)C(O)=O
BDBM50217428 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)OCc2ccccc2)OCC(=O)NC[C@H](NC(=O)c2c(C)cc(C)cc2C)C(O)=O)c1
BDBM50217419 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NC(=O)c2c(C)cc(C)cc2C)C(O)=O)c1
BDBM50217420 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C1)C(=O)OCc1ccccc1)C(O)=O
BDBM50222361 CCCN(C(=O)CC(O)=O)C1=C(C)CC(N(Cc2ccc(N)cc2)C1=O)c1ccccc1 |w:14.27,c:10|
BDBM50222346 CCCN(C(=O)C(CC(O)=O)C(O)=O)C1=C(C)CC(N(Cc2ccc(cc2)C(N)=N)C1=O)c1ccccc1 |w:18.33,6.6,c:14|
BDBM50222347 CCCN(C(=O)CC(O)=O)C1=C(C)C[C@H](N([C@@H](C)c2ccc(OC)cc2)C1=O)c1ccc(N)cc1 |c:10|
BDBM50222348 CCCN(C(=O)CCN)C1=C(C)CC(N(CCC(O)=O)C1=O)c1ccccc1 |w:13.22,c:9|
BDBM50222349 CCCN(C(=O)CC(O)=O)C1=C(C)C[C@H](N([C@@H](C)c2ccc(N)cc2)C1=O)c1ccccc1 |c:10|
BDBM50222350 CCCN(C(=O)C(CC(=O)OC)C(O)=O)C1=C(C)CC(N(Cc2ccc(cc2)C(N)=N)C1=O)c1ccccc1 |w:19.34,6.6,c:15|
BDBM50222351 CCCN(C(=O)CC(O)=O)C1=C(C)CC(N(Cc2ccc(cc2)C(N)=N)C1=O)c1ccccc1 |w:14.29,c:10|
BDBM50222352 CCCN(C(=O)CC(O)=O)C1=C(C)CC(N([C@@H](C)c2ccc(OC)cc2)C1=O)c1ccc(cc1)C(N)=N |w:14.29,c:10|
BDBM50222353 CCCN(C(=O)C(CC(=O)OC)C(O)=O)C1=C(C)CC(N(Cc2ccc(N)cc2)C1=O)c1ccccc1 |w:19.32,6.6,c:15|
BDBM50222354 CCCN(C(=O)CCC(O)=O)C1=C(C)CC(N(Cc2ccc(cc2)C(N)=N)C1=O)c1ccccc1 |w:15.30,c:11|
BDBM50222355 CCCN(C(=O)CCCCCN)C1=C(C)CC(N(CCC(O)=O)C1=O)c1ccccc1 |w:16.25,c:12|
BDBM50222356 CCCN(C(=O)CC(O)=O)C1=C(C)C[C@@H](N([C@@H](C)c2ccc(OC)cc2)C1=O)c1ccc(N)cc1 |c:10|
BDBM50222357 CCCN(C(=O)CC(O)=O)C1=C(C)C[C@@H](N([C@@H](C)c2ccc(N)cc2)C1=O)c1ccccc1 |c:10|
BDBM50222358 CCCN(C(=O)C(CC(O)=O)C(O)=O)C1=C(C)CC(N(Cc2ccc(N)cc2)C1=O)c1ccccc1 |w:18.31,6.6,c:14|
BDBM50222359 CCCN(C(=O)CC(O)=O)C1=C(C)CC(N(CCCCN)C1=O)c1ccccc1 |w:14.23,c:10|
BDBM50222360 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
BDBM50225992 [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50225993 [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50225987 [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50225988 [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50225989 [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50225990 [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50225991 [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50225994 [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50235980 [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
BDBM50237601 [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r|
BDBM50241180 [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
BDBM50313793 Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
BDBM50313794 NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
BDBM50313795 COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
BDBM50374929 O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1cccc2ccccc12
BDBM50374930 O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1-c1ccccc1
BDBM50374935 O=C1NC(=O)\C(=C\c2ccco2)C(=O)N1c1ccccc1
BDBM50372590 [#6]-[#8]-[#6](=O)-[#6@H]-1-[#6@@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H]-1-2)-[#6](-[#6])-[#6]
BDBM50378569 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
BDBM50378570 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
BDBM50378571 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
BDBM50378572 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
BDBM50378573 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
BDBM50378574 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
BDBM50378575 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
BDBM50378576 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
BDBM50378577 [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
BDBM50383779 OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383780 OC(=O)[C@H](Cc1cccc(OCCNc2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383781 OC(=O)[C@H](Cc1ccc(OCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383782 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3(C)CCCCC3)C(O)=O)cc2)n1 |r|
BDBM50383783 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3CCCCC3C)C(O)=O)cc2)n1 |r|
BDBM50383784 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)noc3C)C(O)=O)cc2)n1 |r|
BDBM50383785 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3sccc3Cl)C(O)=O)cc2)n1 |r|
BDBM50383786 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1 |r|
BDBM50383787 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)n1 |r|
BDBM50383788 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C3CC3)C(O)=O)cc2)n1 |r|
BDBM50383789 CCc1cc(F)ccc1C(=O)N[C@@H](Cc1ccc(OCCc2cccc(NC)n2)cc1)C(O)=O |r|
BDBM50383790 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3C)C(O)=O)cc2)n1 |r|
BDBM50383791 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3OC)C(O)=O)cc2)n1 |r|
BDBM50383792 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(F)cccc3Cl)C(O)=O)cc2)n1 |r|
BDBM50383793 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3Cl)C(O)=O)cc2)n1 |r|
BDBM50383794 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)n1 |r|
BDBM50383795 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3)C(O)=O)cc2)n1 |r|
BDBM50383796 CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1 |r|
BDBM50383797 CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)nc2)n1 |r|
BDBM50383798 OC(=O)[C@H](Cc1cccc(OCCCNc2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383799 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cccc3C)C(O)=O)cc2)n1 |r|
BDBM50383800 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cn2)n1 |r|
BDBM50383801 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)nc2)n1 |r|
BDBM50383802 CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)s2)n1 |r|
BDBM50383803 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2F)n1 |r|
BDBM50383804 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1 |r|
BDBM50383805 CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cncc3Cl)C(O)=O)cc2)n1 |r|
BDBM50383806 CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cn2)n1 |r|
BDBM50383807 CNc1cccc(CCOc2csc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)c2)n1 |r|
BDBM50383808 CNc1cccc(CCCc2csc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)c2)n1 |r|
BDBM50383809 CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1 |r|
BDBM50383810 OC(=O)[C@H](Cc1ccc2oc(CCNc3ccccn3)cc2c1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383811 OC(=O)[C@H](Cc1cccc(OCCCCNc2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383859 OC(=O)[C@H](Cc1ccc(CCCc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383860 CN(C)c1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1 |r|
BDBM50383861 OC(=O)[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383862 CN1CCNc2nc(CCOc3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(O)=O)cc3)ccc12 |r|
BDBM50383863 OC(=O)[C@H](Cc1ccc(NC(=O)Cc2ccc3CCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383864 OC(=O)[C@H](Cc1ccc(cc1)C(=O)NCc1ccc2CCCNc2n1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383865 OC(=O)[C@H](Cc1ccc(OCCc2ccc3OCCNc3n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383866 COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1 |r|
BDBM50383867 OC(=O)[C@H](Cc1ccc(OCCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383868 OC(=O)[C@H](Cc1ccc(cc1)C#CCCNc1ccccn1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383869 OC(=O)[C@H](Cc1ccc(CCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383870 CNc1cccc(COCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1 |r|
BDBM50383871 OC(=O)[C@H](Cc1ccc(OCCNc2nc3ccccc3[nH]2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383872 OC(=O)[C@H](Cc1ccc(OCCNc2nc3ccccc3s2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383873 NC(=O)NCCCOc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
BDBM50383874 CN1CC(CCCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)C1 |r|
BDBM50383875 OC(=O)[C@H](Cc1ccc(OCCc2cccc(NCC3CC3)n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383876 OC(=O)[C@H](Cc1ccc(OCCc2cccc(NC3CCCC3)n2)cc1)NC(=O)c1c(Cl)cccc1Cl |r|
BDBM50383877 Nc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)n1 |r|
BDBM50410235 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3NCC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:30,t:19|
BDBM50433575 CCN(CC)c1ncc(N(CC#C)S(=O)(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(O)=O)n1 |r|
BDBM50429463 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8])-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429464 NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1ccccc1)C(O)=O |r,wU:16.47,7.6,wD:20.40,24.24,(29.78,-44.54,;28.45,-45.31,;27.11,-44.54,;28.45,-46.85,;27.11,-47.62,;27.11,-49.16,;25.77,-49.94,;25.77,-51.48,;24.44,-52.25,;23.1,-51.48,;23.1,-49.94,;21.77,-52.25,;21.79,-53.77,;23.13,-54.53,;24.46,-53.74,;23.15,-56.07,;24.49,-56.81,;24.51,-58.37,;25.85,-59.12,;27.18,-58.34,;25.87,-60.66,;27.21,-61.42,;29.78,-53.78,;31.12,-54.55,;29.77,-52.24,;31.08,-51.47,;32.4,-52.23,;32.56,-53.73,;34.05,-54.04,;34.8,-52.73,;36.28,-52.41,;36.75,-50.97,;35.72,-49.84,;34.24,-50.16,;33.78,-51.6,;28.45,-51.48,;27.11,-52.25,;27.11,-53.79,;24.54,-61.45,;23.2,-60.68,;21.87,-61.47,;21.89,-63.02,;23.25,-63.77,;24.56,-62.98,;25.82,-56.03,;27.16,-56.79,;25.8,-54.49,)|
BDBM50429465 NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)c1ccccc1)C(O)=O |r,wU:16.47,7.6,24.24,wD:20.40,(12.29,-45.51,;10.96,-46.28,;9.62,-45.51,;10.96,-47.82,;9.62,-48.59,;9.62,-50.13,;8.28,-50.91,;8.28,-52.45,;6.95,-53.22,;5.61,-52.45,;5.61,-50.91,;4.28,-53.22,;4.29,-54.74,;5.63,-55.5,;6.96,-54.71,;5.65,-57.04,;6.99,-57.78,;7.01,-59.34,;8.35,-60.09,;9.68,-59.31,;8.37,-61.63,;9.72,-62.39,;12.28,-54.75,;13.62,-55.52,;12.27,-53.21,;13.58,-52.44,;14.9,-53.2,;15.06,-54.7,;16.55,-55.01,;17.3,-53.7,;18.78,-53.38,;19.25,-51.93,;18.22,-50.81,;16.75,-51.13,;16.28,-52.57,;10.96,-52.45,;9.62,-53.22,;9.62,-54.76,;7.05,-62.42,;5.7,-61.65,;4.38,-62.44,;4.39,-63.99,;5.75,-64.74,;7.07,-63.95,;8.32,-57,;9.66,-57.76,;8.31,-55.46,)|
BDBM50429466 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429467 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429468 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429469 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429470 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429471 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429472 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429473 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429474 [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429475 [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429476 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429459 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r|
BDBM50429462 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r|
BDBM50423718 Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(OCCCNc3ccccn3)cc2)C(O)=O)c(C)c1 |r|
BDBM50423719 Cc1ccnc(NCc2cccc(c2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
BDBM50423720 Cc1ccnc(NCc2ccc(cc2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
BDBM50423721 Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
BDBM50423722 Cc1ccnc(NCc2sccc2-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423723 Cc1ccnc(NCc2csc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423724 Cc1ccnc(NCc2cc(on2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423725 Cc1ccnc(NCc2coc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423726 Cc1ccnc(NCc2cn(nn2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423727 Cc1ccnc(NCc2cnc(s2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423728 Cc1ccnc(NCC2CN(C(=O)C2)c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423731 CCc1cc(F)cc(C)c1C(=O)N[C@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O |r|
BDBM50423732 CCc1cc(F)cc(C)c1C(=O)N[C@@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O |r|
BDBM50423733 OC(=O)[C@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)NC(=O)c1ccccc1 |r|
BDBM50423734 OC(=O)[C@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)N1Cc2ccccc2C1=O |r|
BDBM50423735 Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CCC(CNc3ccccn3)CC2)C(O)=O)c(C)c1
BDBM50423736 COc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
BDBM50423737 Cc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
BDBM50423738 CCc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
BDBM50423739 Cc1cc(F)cc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
BDBM50421658 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3N=CC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:28,30,t:19|
BDBM50423717 Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@H]2C[C@H](CNc3ccccn3)N(C2)C(=O)CC(C)(C)C)C(O)=O)c(C)c1 |r|
BDBM50442741 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-n2cc(-[#6]-[#6]-[#6](=O)-[#7]-c3ccc(F)cc3)nn2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r|
BDBM50446804 OC(=O)[C@@H]1Cc2cn(C\C=C\COc3ccc(Cl)c(c3)C(=O)N1)cn2 |r,t:9|
BDBM50439690 C\C=C(\C(NCc1ccc(N)cc1)C(C)C)C(O)=O
BDBM50439691 CC(C)C1N(OC(C)=C1C(=O)NCc1ccc(N)cc1)C(=O)CC(O)=O |c:7|
BDBM50439682 [#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
BDBM50439683 [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
BDBM50439684 C\C=C(\C(NCc1ccc(NC(=O)CN)cc1)C(C)C)C(=O)NCC(O)=O
BDBM50439685 C\C=C1\C(C(C)C)N(Cc2ccc(NC(=O)CN)cc2)C(=O)N(CC(O)=O)C1=O
BDBM50439686 C\C=C(\C(NCc1ccc(N)cc1)C(C)C)C(=O)NCC(O)=O
BDBM50439687 C\C=C(\C(C)NCc1ccc(N)cc1)C(=O)NCC(O)=O
BDBM50439688 C\C=C(\C(NCc1ccc(N)cc1)C1CCCCC1)C(O)=O
BDBM50439689 C\C=C(\C(C)NCc1ccc(N)cc1)C(O)=O
BDBM50021393 [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1
BDBM50021394 [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1
BDBM50021395 [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
BDBM50023182 N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O |r|
BDBM50140177 [H][C@@]12N[C@@H](CC(O)=O)C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@]1([H])[C@H]2C(=O)OCC)C(C)C |r|
BDBM50140178 [H][C@@]12C[C@]11N(CC[C@@]2([H])NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)OC |r|
BDBM50140179 [H][C@]12C[C@@]11N(C[C@@]([H])(C2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)OC |r|
BDBM50199195 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199196 OC(=O)[C@H](Cc1ccc(NC(=O)CCCNc2ccccn2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r|
BDBM50199399 NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199197 OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNC2=NCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r,t:17|
BDBM50199345 NC(=N)Nc1cccc(c1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199398 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM279565 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:34|
BDBM279566 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:36|
BDBM279567 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:33|
BDBM279568 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:36|
BDBM279560 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:34|
BDBM279569 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)=NC1 |r,c:40|
BDBM279570 Cc1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
BDBM279571 Cc1cc(Cl)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
BDBM279572 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1 |r,c:34|
BDBM279573 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:33|
BDBM279561 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:37|
BDBM279575 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
BDBM279576 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
BDBM279574 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Cl)c2)=NC1 |r,c:34|
BDBM279562 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)F)=NC1 |r,c:36|
BDBM279563 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)F)=NC1 |r,c:36|
BDBM279564 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:37|