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98 SMILES Strings for Melanocortin receptor (M1 and M4)

Compound NameSMILES String
BDBM50451760 CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.74,-13.45,;-.6,-12.41,;-.92,-10.91,;.22,-9.89,;1.68,-10.36,;-.11,-8.38,;1.03,-7.35,;.73,-5.85,;1.87,-4.82,;3.37,-5.14,;4.14,-3.8,;3.12,-2.66,;1.71,-3.29,;2.51,-7.82,;2.82,-9.33,;3.65,-6.79,;5.12,-7.27,;5.43,-8.78,;6.89,-9.26,;8.05,-8.22,;9.5,-8.7,;9.82,-10.2,;8.68,-11.24,;9.03,-12.73,;7.89,-13.78,;6.41,-13.31,;6.08,-11.8,;7.22,-10.76,;6.26,-6.24,;5.94,-4.73,;7.72,-6.72,;8.86,-5.68,;8.55,-4.17,;9.69,-3.15,;9.37,-1.65,;10.51,-.61,;10.19,.88,;11.34,1.92,;8.73,1.36,;10.33,-6.16,;10.64,-7.66,;11.48,-5.14,;12.93,-5.61,;13.26,-7.12,;14.73,-7.59,;15.97,-6.68,;17.21,-7.59,;16.73,-9.06,;17.5,-10.38,;16.73,-11.72,;15.2,-11.72,;14.43,-10.38,;15.2,-9.06,;14.08,-4.58,;13.76,-3.08,;15.55,-5.06,;16.69,-4.02,;18.15,-4.5,;19.29,-3.47,;18.47,-6.01,)|
BDBM50451759 CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,29.31,wD:40.42,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.37,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.36,;11.29,-10.85,;8.69,-11.41,;9.03,-12.9,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.64,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.97,-6.85,;17.22,-7.76,;16.74,-9.22,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.22,;14.09,-4.76,;13.76,-3.24,;15.55,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)|
BDBM82411 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)|
BDBM50451531 CCCCC(=O)N[C@@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:20.22,31.34,wD:7.6,42.45,(4.56,-4.81,;5.18,-6.21,;4.27,-7.45,;4.88,-8.87,;3.94,-10.11,;2.43,-9.92,;4.56,-11.51,;3.64,-12.75,;2.71,-14.01,;1.17,-13.82,;.56,-12.4,;-.98,-12.19,;-1.56,-10.76,;-.63,-9.55,;.89,-9.74,;1.49,-11.14,;3.03,-11.32,;5.02,-13.45,;5.13,-14.85,;6.46,-12.54,;7.79,-13.31,;7.79,-14.85,;9.15,-15.62,;10.48,-14.85,;11.81,-15.62,;11.81,-17.16,;10.48,-17.93,;9.12,-17.16,;9.15,-12.54,;9.15,-11,;10.48,-13.31,;11.81,-12.54,;11.81,-11,;13.16,-10.23,;13.16,-8.69,;14.49,-7.92,;14.49,-6.35,;15.82,-5.58,;13.16,-5.58,;13.16,-13.31,;13.14,-14.85,;14.49,-12.54,;15.82,-13.31,;15.82,-14.85,;17.15,-15.62,;18.57,-15.01,;19.6,-16.15,;18.81,-17.48,;19.28,-18.95,;18.27,-20.1,;16.75,-19.77,;16.29,-18.3,;17.31,-17.16,;17.15,-12.54,;17.17,-11,;18.5,-13.31,;19.83,-12.54,;21.16,-13.31,;22.49,-12.54,;21.16,-14.87,)|
BDBM50451761 CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.37,;11.27,-10.82,;11.62,-12.31,;10.5,-13.34,;9.04,-12.89,;8.69,-11.41,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)|
BDBM50451762 CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(N)=O |wU:27.29,16.17,6.6,wD:38.40,(-6.26,-5.82,;-4.92,-5.06,;-3.6,-5.83,;-2.27,-5.06,;-2.27,-3.52,;-.93,-5.83,;.4,-5.06,;.4,-3.52,;1.74,-2.75,;3.13,-3.37,;4.16,-2.22,;3.39,-.89,;1.89,-1.21,;1.74,-5.83,;1.74,-7.37,;3.07,-5.06,;4.41,-5.83,;4.41,-7.37,;5.73,-8.14,;5.73,-9.68,;7.06,-10.44,;8.39,-9.68,;8.39,-8.13,;7.05,-7.36,;5.73,-5.06,;5.73,-3.52,;7.07,-5.83,;8.4,-5.06,;8.4,-3.52,;9.73,-2.75,;9.73,-1.21,;11.07,-.44,;11.07,1.1,;12.4,1.87,;9.73,1.87,;9.73,-5.83,;9.73,-7.37,;11.07,-5.06,;12.4,-5.83,;12.4,-7.37,;13.74,-8.14,;15.06,-7.37,;16.39,-8.13,;16.4,-9.69,;17.72,-10.46,;17.73,-11.99,;16.38,-12.77,;15.05,-11.99,;15.06,-10.45,;13.72,-9.68,;13.74,-5.06,;13.74,-3.52,;15.07,-5.83,;16.39,-5.06,;17.73,-5.82,;19.05,-5.05,;17.72,-7.35,)|
BDBM50126102 [H][C@]12N(Cc3ccccc13)C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC2=O)C(N)=O)NC(=O)CCCC |wU:25.27,39.43,wD:12.69,21.66,50.54,1.0,(-.8,1.71,;-.85,-.15,;-1.62,-1.3,;-2.95,-.9,;-2.98,.47,;-4.03,1.35,;-3.79,2.69,;-2.5,3.16,;-1.45,2.28,;-1.69,.93,;-2.01,-2.79,;-3.53,-2.61,;-1.97,-4.32,;-1.52,-5.8,;-.69,-7.09,;-1.87,-8.09,;.46,-8.11,;1.84,-8.8,;3.34,-9.07,;4.88,-8.94,;6.32,-8.38,;7.56,-7.46,;8.5,-6.26,;9.08,-4.83,;10.57,-5.22,;9.26,-3.3,;10.8,-3.27,;12.26,-3.73,;13.5,-2.82,;14.76,-3.72,;14.29,-5.17,;15.07,-6.51,;14.31,-7.84,;12.78,-7.86,;11.99,-6.53,;12.75,-5.19,;9.01,-1.78,;8.37,-.38,;9.67,.45,;7.37,.78,;8.4,1.93,;7.92,3.39,;8.94,4.54,;8.46,6.01,;6.94,6.33,;5.92,5.18,;6.46,7.78,;6.09,1.64,;4.63,2.12,;4.92,3.64,;3.09,2.2,;2.94,3.72,;2.17,5.08,;2.94,6.41,;2.17,7.74,;.63,7.74,;-.14,6.39,;.63,5.06,;1.59,1.85,;.24,1.12,;-.68,2.35,;8.63,-8.57,;8.21,-10.05,;10.12,-8.19,;-3.49,-4.57,;-5.03,-4.57,;-5.81,-3.23,;-5.81,-5.9,;-7.35,-5.9,;-8.12,-7.24,;-9.66,-7.24,)|
BDBM50124767 CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,27.29,wD:38.40,(-4.03,-19.31,;-2.71,-18.54,;-2.71,-17,;-1.37,-16.23,;-.04,-17,;-1.37,-14.69,;-.04,-13.92,;-.04,-12.37,;1.31,-11.6,;2.71,-12.23,;3.74,-11.09,;2.97,-9.75,;1.45,-10.06,;1.31,-14.69,;1.31,-16.23,;2.64,-13.92,;3.97,-14.69,;3.97,-16.23,;5.32,-17.01,;6.65,-16.23,;7.98,-17.01,;7.98,-18.55,;6.65,-19.32,;5.32,-18.55,;5.32,-13.92,;5.32,-12.37,;6.65,-14.69,;7.98,-13.92,;7.98,-12.37,;9.31,-11.6,;9.31,-10.06,;10.66,-9.29,;10.66,-7.74,;12,-6.98,;9.31,-6.98,;9.31,-14.69,;9.31,-16.23,;10.66,-13.92,;12,-14.69,;12,-16.23,;13.32,-17.01,;14.67,-16.23,;16.01,-17.01,;16.01,-18.55,;14.68,-19.32,;14.68,-20.86,;13.35,-21.65,;12,-20.87,;11.99,-19.32,;13.32,-18.55,;13.32,-13.92,;13.32,-12.37,;14.67,-14.69,;16.01,-13.92,;17.34,-14.69,;18.67,-13.92,;17.34,-16.23,)|
BDBM50124772 CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,30.32,wD:41.43,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;7.22,-10.94,;8.69,-11.41,;9.83,-10.38,;11.29,-10.85,;11.61,-12.36,;13.07,-12.83,;9.5,-8.88,;8.05,-8.39,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)|
BDBM50034910 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50121892 CCCC(=O)N[C@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:19.21,30.33,wD:6.17,41.44,(5.17,-6.2,;4.26,-7.43,;4.87,-8.83,;3.94,-10.07,;2.42,-9.9,;4.55,-11.49,;3.63,-12.72,;2.7,-13.96,;1.16,-13.77,;.56,-12.35,;-.98,-12.16,;-1.56,-10.74,;-.63,-9.51,;.89,-9.69,;1.49,-11.11,;3.03,-11.3,;5.01,-13.42,;5.13,-14.82,;6.45,-12.51,;7.78,-13.28,;7.78,-14.82,;9.13,-15.59,;9.11,-17.12,;10.46,-17.89,;11.79,-17.12,;11.79,-15.59,;10.46,-14.82,;9.13,-12.51,;9.13,-10.95,;10.46,-13.28,;11.79,-12.49,;11.79,-10.97,;13.14,-10.2,;13.14,-8.64,;14.47,-7.87,;14.47,-6.34,;15.8,-5.57,;13.14,-5.57,;13.14,-13.28,;13.12,-14.82,;14.47,-12.51,;15.8,-13.28,;15.8,-14.82,;17.12,-15.59,;18.55,-14.96,;19.57,-16.1,;18.79,-17.45,;19.25,-18.92,;18.24,-20.06,;16.73,-19.73,;16.26,-18.27,;17.29,-17.12,;17.12,-12.51,;17.15,-10.97,;18.48,-13.28,;19.8,-12.51,;21.13,-13.28,;22.46,-12.51,;21.13,-14.82,)|
BDBM50111167 N[C@@H](CCCNC(N)=N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
BDBM50111181 COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)cc1OC
BDBM50121894 CCCCC(=O)NC1(CCc2cc(Br)ccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50121897 CCCCC(=O)NC1(CCc2cccc(Br)c2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50121899 CCCCC(=O)NC1(CCc2c(Cl)cccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50121884 CCCCC(=O)NC1(CCc2c(Br)cccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50121885 CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50121888 CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50119368 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
BDBM50124766 CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50124768 CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)NCC(N)=O
BDBM50124770 CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50124773 CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50124775 CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50124779 CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50126085 CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O
BDBM50126101 CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Br)cccc3C2)NC1=O)C(N)=O
BDBM50126087 CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O
BDBM50126395 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
BDBM50126088 CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC1=O)C(N)=O
BDBM50126396 C[C@@H](N(CC(N)=O)C(=O)CN(Cc1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
BDBM50126393 C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
BDBM50126394 NC(=O)CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)C(=O)CNCCCNC(N)=N
BDBM50130014 CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |wD:4.3,(14.52,1.42,;13.19,.63,;13.2,-.91,;11.84,1.39,;10.51,.61,;10.53,-.94,;11.29,-2.27,;12.81,-2.27,;13.57,-3.59,;12.8,-4.92,;11.27,-4.91,;10.51,-3.59,;9.17,1.37,;9.15,2.91,;7.84,.58,;6.5,1.35,;6.48,2.89,;5.14,3.64,;5.13,5.18,;3.77,5.94,;2.46,5.16,;1.11,5.93,;2.46,3.62,;7.86,-.97,;7.09,-2.32,;5.36,-1.71,;4.19,-2.13,;4.94,-.77,;6.58,-1.39,;2.85,-1.36,;1.52,-2.13,;1.5,-3.67,;.17,-4.43,;-1.24,-3.8,;-2.28,-4.94,;-1.51,-6.27,;-1.99,-7.72,;-.97,-8.88,;.55,-8.57,;1.01,-7.11,;,-5.97,;2.85,.19,;1.52,.96,;4.19,.96,)|
BDBM50130009 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
BDBM50131238 CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131239 N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131240 CC(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131241 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC#N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131242 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131243 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131244 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131245 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131246 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131247 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131248 CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131249 CS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131250 CC(C)(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131251 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131252 CSCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131253 CCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131254 COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131255 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131256 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131257 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131258 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131259 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131260 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50136514 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccccc2)c1=O
BDBM50136515 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
BDBM50136516 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCCNC(=O)[C@H]2CNCC[C@@H]2c2ccccc2)c1=O
BDBM50136517 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCCNC(=O)[C@H]2CCNC[C@@H]2c2ccccc2)c1=O
BDBM50136518 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
BDBM50136520 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC(C)CNC(=O)[C@H]2CNCC[C@@H]2c2ccccc2)c1=O
BDBM50136521 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCCNC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
BDBM50136522 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccccc2)c1=O
BDBM50136523 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(C(C)CCNC(=O)[C@H]2CNCC[C@@H]2c2ccccc2)c1=O
BDBM50136524 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCC(C)NC(=O)[C@H]2CCNC[C@@H]2c2ccccc2)c1=O
BDBM50136525 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@H]2c2ccccc2)c1=O
BDBM50136526 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@@H]2CNCC[C@H]2c2ccccc2)c1=O
BDBM50136528 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCC(=O)N[C@@H]2CCc3ccccc3NC2=O)c1=O
BDBM50136529 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCC(C)NC(=O)[C@H]2CNCC[C@@H]2c2ccccc2)c1=O
BDBM50136530 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccccc2)c1=O
BDBM50136531 Clc1ccc(C[C@@H](NC(=O)[C@H]2CCc3ccccc3N2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
BDBM50136355 NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
BDBM50136357 CN(C)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
BDBM50136365 CNCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
BDBM50134495 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)c2ccccc12
BDBM50138295 CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCNCC1)Cc1ccc(Cl)cc1
BDBM50138296 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NC1CCC1)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138297 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NCc1ccccn1)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138298 CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCNCC1
BDBM50138299 CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138300 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCC1)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138301 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138302 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCSC1)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138303 CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC1)C(=O)c1ccccc1)Cc1ccc(Cl)cc1
BDBM50138304 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NCc1ccccc1F)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138305 CC(C)CCN1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138288 CCOC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138290 CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC2CC2)CC1)Cc1ccc(Cl)cc1
BDBM50138291 CCN1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138292 CCCN1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138293 CC(C)(C)CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138294 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50184359 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)|
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