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198 SMILES Strings for Neuropeptide FF receptor 2

Compound NameSMILES String
BDBM26349 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:83.86,72.75,12.20,29.34,37.50,51.58,59.62,wD:4.4,23.26,(23.93,-21.81,;22.46,-22.29,;22.15,-23.79,;21.33,-21.26,;21.65,-19.76,;20.51,-18.74,;19.04,-19.2,;18.73,-20.72,;17.9,-18.17,;16.44,-18.65,;15.29,-17.62,;15.61,-16.12,;13.83,-18.1,;12.69,-17.06,;13.01,-15.57,;11.86,-14.54,;12.18,-13.03,;13.65,-12.55,;14.79,-13.59,;14.47,-15.08,;13.51,-19.6,;12.05,-20.08,;10.9,-19.05,;11.73,-21.57,;12.87,-22.61,;14.34,-22.12,;10.27,-22.05,;9.94,-23.55,;11.09,-24.58,;8.49,-24.03,;7.34,-23,;7.67,-21.49,;6.52,-20.46,;9.12,-21.02,;8.16,-25.53,;6.7,-26.01,;5.56,-24.98,;6.38,-27.51,;4.92,-27.99,;4.6,-29.49,;5.63,-30.63,;4.86,-31.97,;3.35,-31.65,;2.11,-32.56,;.71,-31.92,;.55,-30.4,;1.79,-29.49,;3.2,-30.12,;7.53,-28.54,;8.98,-28.07,;9.31,-26.56,;10.13,-29.1,;9.81,-30.6,;8.35,-31.08,;8.02,-32.58,;7.2,-30.05,;11.59,-28.62,;12.74,-29.65,;12.42,-31.16,;14.21,-29.18,;14.52,-27.67,;15.34,-30.2,;16.8,-29.73,;17.12,-28.22,;18.58,-27.75,;19.72,-28.77,;21.19,-28.3,;19.41,-30.28,;17.94,-30.75,;23.11,-19.28,;23.42,-17.77,;24.24,-20.31,;25.71,-19.83,;26.03,-18.32,;27.49,-17.85,;27.81,-16.34,;29.28,-15.87,;29.59,-14.36,;28.45,-13.34,;31.06,-13.9,;26.85,-20.86,;26.53,-22.37,;28.32,-20.39,;29.46,-21.42,;30.93,-20.94,;32.07,-21.97,;33.53,-21.49,;34.68,-22.52,;34.35,-24.03,;32.89,-24.5,;31.75,-23.47,;29.14,-22.92,;27.68,-23.4,;30.28,-23.95,)|
BDBM26338 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:33.34,wD:12.20,4.4,44.45,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;6.76,.89,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
BDBM26339 CC(C)C[C@H](\C=C\CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:32.33,wD:11.19,4.4,43.44,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
BDBM82285 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:126.131,95.100,125.128,101.104,8.17,143.146,20.28,41.47,163.166,54.58,wD:117.120,109.112,84.95,4.4,132.135,72.84,30.39,152.155,60.71,118.122,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,3.34,;56.22,3.34,;54.68,6.01,;56.22,6.01,;56.99,4.68,;56.99,7.34,;56.22,8.68,;56.99,10.01,;58.53,10.01,;59.3,11.35,;58.53,12.68,;59.3,14.01,;56.99,12.68,;56.22,11.35,;58.53,7.34,;59.3,6.01,;58.53,4.68,;60.84,6.01,;61.61,7.34,;63.15,7.34,;63.92,6.01,;65.46,6.01,;66.23,7.34,;67.77,7.34,;65.46,8.68,;63.92,8.68,;61.61,4.68,;60.84,3.34,;59.3,3.34,;61.61,2.01,;63.15,2.01,;63.92,.68,;65.46,.68,;66.23,-.66,;67.77,-.66,;68.54,-1.99,;68.54,.68,;60.84,.68,;61.61,-.66,;63.15,-.66,;60.84,-1.99,;59.3,-1.99,;61.61,-3.32,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
BDBM86139 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM86140 [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O
BDBM86142 [#6]-[#6](-[#6])-[#6]-[#6](-[#7](-[#6])-[#6](=O)-[#6](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O
BDBM86143 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O
BDBM86144 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
BDBM86145 CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:61.65,65.68,42.44,26.27,16.16,12.13,4.4,wD:50.52,73.76,37.40,84.87,(38.04,3.65,;37.72,2.14,;36.25,1.67,;35.93,.16,;34.47,-.32,;33.33,.71,;34.15,-1.82,;32.68,-2.3,;35.29,-2.85,;36.8,-2.53,;37.57,-3.87,;36.54,-5.01,;35.13,-4.39,;33.8,-5.16,;32.47,-4.39,;33.8,-6.7,;32.47,-7.47,;32.47,-9.01,;33.8,-9.78,;33.96,-11.31,;35.47,-11.63,;36.24,-10.29,;35.21,-9.15,;31.13,-6.7,;31.13,-5.16,;29.8,-7.47,;28.46,-6.7,;27.13,-7.47,;27.13,-9.01,;25.8,-9.78,;25.8,-11.32,;27.13,-12.09,;28.46,-11.32,;28.46,-9.78,;28.46,-5.16,;29.8,-4.39,;27.13,-4.39,;27.13,-2.85,;28.46,-2.08,;25.8,-2.08,;24.46,-2.85,;25.8,-.54,;24.46,.23,;23.13,-.54,;21.8,.23,;21.8,1.77,;20.46,-.54,;24.46,1.77,;25.8,2.54,;23.13,2.54,;23.13,4.08,;24.46,4.85,;24.46,6.39,;25.8,7.16,;23.13,7.16,;21.8,4.85,;21.8,6.39,;20.46,4.08,;20.3,2.55,;18.79,2.23,;18.02,3.57,;19.05,4.71,;18.73,6.22,;19.88,7.25,;17.27,6.69,;16.13,5.66,;16.45,4.16,;15.3,3.13,;15.62,1.62,;13.84,3.6,;14.66,6.14,;14.34,7.65,;13.52,5.11,;12.05,5.58,;11.73,7.09,;10.27,7.57,;9.95,9.07,;8.48,9.55,;8.16,11.06,;6.7,11.53,;9.31,12.09,;10.91,4.55,;11.23,3.05,;9.44,5.03,;8.3,4,;6.83,4.47,;5.69,3.44,;4.22,3.92,;3.08,2.89,;3.4,1.38,;4.86,.91,;6.01,1.94,;8.62,2.49,;7.47,1.46,;10.08,2.02,)|
BDBM86146 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM86147 [#6]-[#16]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O
BDBM86148 CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:31.40,57.60,77.81,101.106,89.92,111.115,96.101,98.104,125.131,151.156,wD:43.56,27.27,62.64,105.111,69.77,12.19,81.89,4.4,2.2,129.134,140.145,(11.09,9.04,;9.83,9.87,;8.5,9.19,;8.39,7.7,;7.21,10.07,;5.85,9.36,;5.77,7.85,;7.06,7,;4.44,7.12,;4.34,5.63,;3.08,4.78,;1.87,5.53,;3.05,3.19,;4.36,2.33,;5.77,3.06,;7.06,2.26,;8.39,2.96,;9.71,2.08,;11.09,2.81,;9.68,.54,;1.69,2.51,;1.51,1,;2.75,.16,;.1,.26,;.05,-1.27,;-1.31,-1.95,;-2.57,-1.1,;-1.39,-3.47,;-2.72,-4.12,;-2.72,-5.66,;-1.39,-6.52,;-4.11,-6.37,;-5.39,-5.51,;-5.32,-3.97,;-6.6,-3.14,;-6.45,-1.58,;-5.09,-.92,;-4.94,.64,;-3.83,-1.75,;-3.93,-3.34,;-4.16,-7.88,;-5.52,-8.56,;-6.81,-7.75,;-5.57,-10.1,;-4.29,-10.95,;-2.92,-10.2,;-2.77,-8.68,;-1.26,-8.31,;-.45,-9.67,;1.03,-10.02,;1.56,-11.53,;.45,-12.54,;-1.06,-12.34,;-1.56,-10.85,;-6.91,-10.8,;-6.93,-12.34,;-5.65,-13.2,;-8.27,-13.1,;-9.63,-12.24,;-8.37,-14.63,;-9.81,-15.21,;-11.14,-14.36,;-9.93,-16.68,;-8.77,-17.76,;-9.48,-19.17,;-11.02,-18.99,;-11.27,-17.46,;-12.68,-16.85,;-12.68,-15.42,;-13.96,-17.66,;-13.99,-19.2,;-12.6,-19.98,;-11.27,-19.17,;-12.6,-21.46,;-15.33,-16.85,;-16.71,-17.58,;-16.66,-19.1,;-18.05,-16.8,;-19.36,-17.58,;-20.67,-16.75,;-20.67,-15.21,;-22.01,-17.53,;-22.03,-19.12,;-20.67,-19.85,;-19.33,-19.07,;-20.67,-21.44,;-23.37,-16.78,;-24.65,-17.63,;-24.65,-19.3,;-25.99,-16.9,;-26.24,-15.39,;-27.78,-15.14,;-28.54,-16.55,;-27.38,-17.63,;-27.58,-19.2,;-26.37,-20.08,;-29.04,-19.8,;-29.19,-21.39,;-30.33,-18.87,;-31.76,-19.5,;-30.15,-17.33,;-18.05,-15.26,;-19.38,-14.46,;-16.71,-14.51,;-16.69,-12.92,;-.13,-4.3,;-.2,-5.81,;1.24,-3.62,;7.26,11.53,;6.05,12.36,;8.62,12.21,;8.65,13.7,;7.36,14.63,;7.44,16.2,;6.2,17.03,;6.28,18.57,;4.94,19.45,;5.04,21.01,;3.5,18.77,;10.08,14.48,;11.29,13.65,;10.31,15.99,;9.2,17.08,;9.93,18.46,;11.44,18.24,;11.7,16.75,;12.98,15.99,;12.98,14.41,;14.29,16.85,;15.6,16.1,;15.63,14.58,;14.32,13.75,;16.94,13.8,;16.89,16.88,;16.86,18.41,;18.2,16.12,;19.49,16.85,;20.85,16.12,;20.82,14.66,;22.21,16.8,;23.52,16.02,;23.49,14.43,;24.86,13.62,;24.83,12.14,;26.12,11.33,;26.09,9.79,;27.4,8.99,;24.78,9.01,;24.88,16.8,;24.88,18.26,;26.24,16.12,;27.6,16.85,;27.63,18.36,;28.99,19.2,;30.33,18.34,;31.74,19.12,;31.76,20.66,;30.45,21.46,;29.04,20.71,;28.89,16.12,;30.15,16.98,;28.86,14.48,)|
BDBM84996 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1
BDBM50034115 CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037557 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037558 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037559 CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037560 N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037561 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037562 N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037563 CC(C)C[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037564 CC(C)C[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037565 N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037566 N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037567 CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037568 CC(C)C[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037569 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037570 CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037571 N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037572 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037573 NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037574 NC(=O)CC[C@H](NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037575 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50037576 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50060728 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
BDBM50099301 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
BDBM50099302 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(N)=O
BDBM50099303 CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(N)=O
BDBM50246649 CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12|
BDBM50336911 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50336912 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,9:11:18:14.15.16,20:11:18:14.15.16,THB:20:15:18:12.11.19,19:11:14:18.17.16,19:17:14:12.11.20|
BDBM50394975 NC(=N)NN=Cc1ccc(o1)-c1ccc(Br)cc1C(F)(F)F |w:5.5|
BDBM50394976 [#7]\[#6](-[#7])=[#7]/[#7]=[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2 |w:5.5,TLB:9:10:14:7.8.13,THB:9:8:14:15.11.10,11:12:7:9.15.10,11:10:7:12.14.13|
BDBM50394977 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)c(c1)C(F)(F)F |w:5.5|
BDBM50394978 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Br)c(Br)c1 |w:5.5|
BDBM50414848 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)c(Cl)c1 |w:5.5|
BDBM50414849 [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccc(Cl)c(Cl)c1 |w:2.2|
BDBM50414850 [#7]\[#6](-[#7])=[#7]\[#7]=[#6](-c1ccccc1)-c1ccc(Cl)c(Cl)c1 |w:4.3|
BDBM50414851 [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccc(Cl)c(c1)C(F)(F)F |w:2.2|
BDBM50414852 [#6]-c1ccccc1-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])o1 |w:11.11|
BDBM50414853 [#6]-[#6](-[#6])-c1ccccc1-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])o1 |w:13.13|
BDBM50414854 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(o1)-c1ccccc1C(F)(F)F |w:5.5|
BDBM50414855 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(s1)-c1ccccc1C(F)(F)F |w:5.5|
BDBM50414856 [#6]-n1c(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-c1ccccc1C(F)(F)F |w:3.2|
BDBM50402436 NC(N)=NCCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:7.7,wD:23.24,(11.22,-34.25,;12.55,-35.02,;13.88,-34.25,;12.55,-36.56,;13.88,-37.33,;13.88,-38.87,;12.55,-39.64,;12.55,-41.18,;11.22,-41.95,;9.88,-41.18,;9.88,-39.64,;8.55,-41.95,;8.55,-43.48,;7.23,-44.25,;5.88,-43.48,;4.41,-43.96,;3.5,-42.71,;4.41,-41.46,;5.88,-41.94,;7.22,-41.17,;13.88,-41.95,;13.88,-43.49,;15.22,-41.18,;16.55,-41.95,;16.55,-43.49,;17.89,-44.26,;17.88,-45.8,;19.21,-46.57,;20.55,-45.8,;20.54,-44.25,;19.21,-43.49,;17.89,-41.18,;19.22,-41.95,;17.89,-39.64,)|
BDBM50402437 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1cccc2ccccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402438 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
BDBM50402439 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
BDBM50402440 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
BDBM50402441 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,w:11.10|
BDBM50402442 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r,w:11.10|
BDBM50402443 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402444 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402445 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402446 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402447 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc2ccccc2n1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402448 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402449 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402450 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1cccc(c1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402451 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1cccc(c1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402452 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402453 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402454 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402455 [#6]-[#8]-c1cccc(c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402456 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402457 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50402458 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50442584 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
BDBM50029125 NC(=N)NCC(=O)NCC1(CCN(CCc2ccccc2)CC1)Nc1ccccc1
BDBM50029126 NC(=N)NCC(=O)NCC1(CCN(Cc2cccc3ccccc23)CC1)Nc1ccccc1
BDBM50029128 NC(=N)NCC(=O)NCC1(CCN(Cc2ccc(Br)cc2)CC1)Nc1ccccc1
BDBM50029131 COC(=O)c1ccc(CN2CCC(CNC(=O)CNC(N)=N)(CC2)Nc2ccccc2)cc1
BDBM50029135 NC(=N)NCC(=O)NCC1(Cc2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1
BDBM50029137 NC(=N)NCC(=O)NCC1(Cc2ccc(cc2)-c2ccccc2)CCN(Cc2ccccc2)CC1
BDBM50029138 CC(C)C[C@@H](N(C)C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50029139 CN1CCC(CNC(=O)[C@@H](N)CCCNC(N)=N)(CC1)Nc1ccccc1 |r|
BDBM50029184 N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(CCc2ccccc2)CC1)Nc1ccccc1 |r|
BDBM50029185 N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccc3ccccc3c2)CC1)Nc1ccccc1 |r|
BDBM50029186 CN1CCC(CNC(N)=N)(CC1)Nc1ccccc1
BDBM50029188 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50029189 NC(=N)NCCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
BDBM50029193 CC(C)(C)OC(=O)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
BDBM50029330 NC(=N)NCC(=O)NCC1(CCCN(Cc2ccccc2)C1)NCc1ccccc1
BDBM50029336 NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
BDBM50029096 NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
BDBM50029110 NC(=N)NCC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1
BDBM50029113 CC(C)(C)OC(=O)N\C(NCCCCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1)=N\C(=O)OC(C)(C)C
BDBM50029121 NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50029123 NC(=N)NCC(=O)NCC1(CCNCC1)Nc1ccccc1
BDBM50029183 N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1 |r|
BDBM50029187 NC(=N)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
BDBM50029127 NC(=N)NCC(=O)NCC1(CCN(Cc2ccc3ccccc3c2)CC1)Nc1ccccc1
BDBM50029132 NC(=N)NCC(=O)NCC1(Cc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)CC1
BDBM50029097 NC(=N)NCC(=O)NCC1(Cc2cccc3ccccc23)CCN(Cc2ccccc2)CC1
BDBM50029098 NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1cccc2ccccc12
BDBM50029109 COc1cc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)cc(OC)c1
BDBM50029111 CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
BDBM50029112 CC(C)(C)OC(=O)N\C(NCCCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1)=N/C(=O)OC(C)(C)C
BDBM50029114 CC(C)(C)OC(=O)N\C(Nc1cccc(c1)C(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1)=N/C(=O)OC(C)(C)C
BDBM50029115 CC(C)(C)OC(=O)N\C(Nc1ccc(cc1)C(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1)=N/C(=O)OC(C)(C)C
BDBM50029116 CC(C)(C)OC(=O)N\C(Nc1ccc(CC(=O)NCC2(CCN(Cc3ccccc3)CC2)Nc2ccccc2)cc1)=N/C(=O)OC(C)(C)C
BDBM50029117 N[C@@H](CCCNC(N)=N)C(=O)NCC1CCN(Cc2ccccc2)CC1 |r|
BDBM50029118 NC(=N)NCC1(CCN(CCc2ccccc2)CC1)Nc1ccccc1
BDBM50029119 COc1cccc(NC2(CNC(=O)CNC(N)=N)CCN(Cc3ccccc3)CC2)c1
BDBM50029120 NC(=N)NCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1
BDBM50029122 NC(=N)NCC(=O)NCC1(CCc2ccccc2)CCN(Cc2ccccc2)CC1
BDBM50029124 NC(=N)NCC(=O)NCC1(CCN(CC2CCCCC2)CC1)Nc1ccccc1
BDBM50159225 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN\C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50159227 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50159226 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCCCCNC(=O)\N=C(\N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50191288 Cl.[#7]\[#6](-[#7])=[#7]\[#7]=[#6]\c1ccc(Cl)c(Cl)c1
BDBM50500151 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50500153 OC(=O)C(F)(F)F.Cn1cc(CNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 |r|
BDBM50508422 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O |r,TLB:70:72:79:75.76.77,81:72:79:75.76.77,THB:77:76:73:80.78.79,77:78:73:75.81.76,81:76:73.72.80:79|
BDBM50508423 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O |r,TLB:70:72:79:75.76.77,81:72:79:75.76.77,THB:81:76:73.72.80:79,77:76:73:80.78.79,77:78:73:75.81.76|
BDBM50555148 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50555149 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50555150 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50555151 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50555152 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50555153 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50555154 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50555155 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50555156 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50553307 CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO |r|
BDBM50553308 CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50553309 CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CSCC(=O)NCCC[C@@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO |r|
BDBM50553310 CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CSCC(=O)NCCC[C@@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO |r|
BDBM50553311 CCCCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50553312 CCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50553313 CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CSCC(=O)NCCC[C@@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO |r|
BDBM50553314 CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CSCC(=O)NCCC[C@@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO |r|
BDBM50553315 CCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CSCC(=O)NCCC[C@@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO |r|
BDBM50558724 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50558725 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50558727 CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50558728 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50558729 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50558730 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50558731 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50558732 CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50558733 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50558734 CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50558726 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50565178 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50565179 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
BDBM50565180 NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 |r|
BDBM50565181 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50565182 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r|
BDBM50565183 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCN2CCC(Cc3ccccc3)CC2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r|
BDBM50565184 Cc1cc(NC(N)=N)nc2ccc(Cl)cc12
BDBM50565185 Cc1cc(NC(N)=N)nc2ccccc12
BDBM50565186 Cl.NC(=N)N\N=C\c1ccc(o1)-c1ccccc1C(F)(F)F
BDBM50565187 Cl.NC(=N)N\N=C\c1ccc(Cl)c(c1)C(F)(F)F
BDBM50565188 Cl.NC(=N)N\N=C\c1ccc(Br)c(Br)c1
BDBM50565189 COc1cc2C[C@H](C)[C@](C)(O)[C@H](C(=O)Oc3ccccc3)c3cc(C)c(C)c(OC)c3-c2c(OC)c1OC |r|
BDBM50565190 COc1cc2C[C@H](C)[C@](C)(O)[C@H](C(=O)Oc3ccccc3)c3cc4CCc4c(OC)c3-c2c(OC)c1OC |r|
BDBM50565191 O=C(NCCc1ccccc1)[C@H](CCCN1CCCCC1)NC(=O)c1ccccc1-c1ccccc1 |r|
BDBM50565192 CCCCCOC(=O)[C@@H]1C[C@@H](CN1Cc1ccccc1Cl)NCc1ccc(OC)cc1 |r|
BDBM50565193 COc1ccc(CN[C@H]2C[C@H](N(Cc3ccccc3Cl)C2)C(=O)OCCc2ccc(cc2)[N+]([O-])=O)cc1 |r|
BDBM50565194 NC1=NC=C(CN1)c1ccc(Cl)c(Cl)c1 |c:3,t:1|
BDBM50581385 CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50581383 CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50583769 [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1Br)-[#6](-[#7])=O |r|
BDBM50583770 NC(=N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:28.30,wD:7.6,(81.19,-21.98,;82.53,-22.75,;83.86,-21.97,;82.53,-24.29,;81.2,-25.06,;81.2,-26.6,;79.87,-27.38,;79.88,-28.92,;78.54,-29.69,;77.21,-28.93,;77.21,-27.39,;75.88,-29.7,;74.54,-28.94,;73.21,-29.71,;71.87,-28.95,;70.54,-29.72,;70.54,-31.27,;71.88,-32.04,;73.22,-31.26,;74.54,-27.41,;75.87,-26.63,;75.87,-25.09,;74.53,-24.33,;73.19,-25.11,;73.2,-26.64,;81.22,-29.68,;81.22,-31.22,;82.55,-28.91,;83.89,-29.67,;83.89,-31.21,;85.23,-31.98,;86.64,-31.34,;87.67,-32.49,;86.91,-33.82,;87.38,-35.27,;86.37,-36.42,;84.86,-36.1,;84.38,-34.65,;85.41,-33.51,;85.22,-28.9,;86.56,-29.66,;85.21,-27.36,)|
BDBM50583771 NC(=N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wD:7.6,28.30,(12.39,-41.51,;13.73,-42.28,;15.06,-41.5,;13.74,-43.82,;12.4,-44.59,;12.41,-46.13,;11.08,-46.91,;11.08,-48.45,;9.75,-49.22,;8.42,-48.46,;8.41,-46.92,;7.09,-49.23,;5.75,-48.47,;4.42,-49.24,;3.08,-48.48,;1.75,-49.25,;1.75,-50.8,;3.08,-51.57,;4.42,-50.79,;5.74,-46.94,;7.08,-46.16,;7.07,-44.62,;5.73,-43.86,;4.4,-44.64,;4.41,-46.17,;12.42,-49.21,;12.43,-50.75,;13.75,-48.44,;15.09,-49.2,;15.1,-50.74,;16.44,-51.51,;17.84,-50.87,;18.87,-52.01,;18.11,-53.35,;18.59,-54.8,;17.57,-55.95,;16.07,-55.63,;15.59,-54.18,;16.61,-53.04,;16.42,-48.43,;17.76,-49.19,;16.42,-46.89,)|
BDBM50581386 CN1[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50581387 CN1[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50581388 CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50583776 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50583777 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50583778 [#6]-[#6](-[#6])-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50583779 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50583780 [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](-[#7])=O |r|
BDBM50583781 [#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50583782 [#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50581389 CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50581384 CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50583765 [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50583766 [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50583767 [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50583768 [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1Br)-[#6](-[#7])=O |r|
BDBM50583772 [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50583773 [#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
BDBM50583774 [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50583775 [#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r|
BDBM50581390 CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|