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173 SMILES Strings for Neuropeptide Y receptor type 5 (NPY Y5)

Compound NameSMILES String
BDBM82282 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)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)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:163.169,100.108,162.166,138.142,8.17,180.184,20.28,41.47,200.204,54.58,130.133,125.129,95.99,wD:116.125,108.116,154.158,146.150,84.95,4.4,169.173,72.84,30.39,189.193,60.71,155.160,2.2,49.51,(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,;60.84,-4.66,;59.3,-4.66,;61.61,-5.99,;60.84,-7.33,;59.3,-7.33,;58.53,-8.66,;58.53,-5.99,;63.15,-5.99,;63.92,-7.33,;63.15,-8.66,;65.46,-7.33,;66.23,-5.99,;67.77,-5.99,;68.54,-4.66,;68.54,-7.33,;66.23,-8.66,;65.46,-9.99,;63.92,-9.99,;66.23,-11.33,;67.77,-11.33,;68.54,-12.66,;70.08,-12.66,;70.85,-13.99,;70.85,-11.33,;65.46,-12.66,;66.23,-13.99,;67.77,-13.99,;65.46,-15.33,;63.92,-15.33,;66.23,-16.66,;65.46,-18,;63.92,-18,;66.23,-19.33,;65.6,-20.74,;66.75,-21.77,;68.08,-21,;67.76,-19.49,;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,)|
BDBM82286 [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
BDBM118170 Fc1cccc(n1)C(=O)N[C@H]1CC[C@H](CC1)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:10.10,13.17,(-8.83,4.52,;-8.83,2.98,;-10.16,2.21,;-10.16,.67,;-8.83,-.1,;-7.5,.67,;-7.5,2.21,;-6.16,-.1,;-6.16,-1.64,;-4.83,.67,;-3.49,-.1,;-2.16,.67,;-.83,-.1,;-.83,-1.64,;-2.16,-2.41,;-3.49,-1.64,;.51,-2.41,;.51,-3.95,;1.84,-1.64,;3.17,-2.41,;3.17,-3.95,;4.64,-4.43,;5.54,-3.18,;4.64,-1.94,;7.08,-3.18,;7.85,-4.52,;9.39,-4.52,;10.16,-3.18,;9.39,-1.85,;7.85,-1.85,;7.08,-.52,)|
BDBM118171 Fc1ccccc1-n1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Cl)n2)n1 |r,wU:17.21,14.14,(7.08,-.52,;7.85,-1.85,;9.39,-1.85,;10.16,-3.18,;9.39,-4.52,;7.85,-4.52,;7.08,-3.18,;5.54,-3.18,;4.64,-4.43,;3.17,-3.95,;3.17,-2.41,;1.84,-1.64,;.51,-2.41,;.51,-3.95,;-.83,-1.64,;-.83,-.1,;-2.16,.67,;-3.49,-.1,;-3.49,-1.64,;-2.16,-2.41,;-4.83,.67,;-6.16,-.1,;-6.16,-1.64,;-7.5,.67,;-8.83,-.1,;-10.16,.67,;-10.16,2.21,;-8.83,2.98,;-8.83,4.52,;-7.5,2.21,;4.64,-1.94,)|
BDBM118172 Fc1ccccc1-c1cccc(NC(=O)[C@@H]2CC[C@@H](CC2)NC(=O)c2ccccc2)c1 |r,wU:18.22,15.15,(8.67,-3.08,;8.67,-1.54,;10,-.77,;10,.77,;8.67,1.54,;7.34,.77,;7.34,-.77,;6,-1.54,;6,-3.08,;4.67,-3.85,;3.33,-3.08,;3.33,-1.54,;2,-.77,;.67,-1.54,;.67,-3.08,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-3.33,-.77,;-2,-1.54,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-10,3.08,;-8.67,3.85,;-7.34,3.08,;4.67,-.77,)|
BDBM118173 CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)NC(=O)c3ccccc3)cc2oc1=O |r,wU:14.17,11.10,(9.4,-4.3,;7.91,-3.9,;6.82,-4.99,;7.51,-2.41,;6.05,-1.94,;4.71,-2.71,;3.38,-1.94,;3.38,-.4,;2.05,.37,;.71,-.4,;.71,-1.94,;-.62,.37,;-.62,1.91,;-1.95,2.68,;-3.29,1.91,;-3.29,.37,;-1.95,-.4,;-4.62,2.68,;-5.96,1.91,;-5.96,.37,;-7.29,2.68,;-8.62,1.91,;-9.96,2.68,;-9.96,4.22,;-8.62,4.99,;-7.29,4.22,;4.71,.37,;6.05,-.4,;7.51,.08,;8.42,-1.17,;9.96,-1.17,)|
BDBM118174 Fc1ccccc1-n1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)NC(=O)c2ccccc2C#N)n1 |r,wU:17.21,14.14,(7.08,-.13,;7.85,-1.46,;9.39,-1.46,;10.16,-2.8,;9.39,-4.13,;7.85,-4.13,;7.08,-2.8,;5.54,-2.8,;4.64,-4.04,;3.17,-3.57,;3.17,-2.03,;1.84,-1.26,;.51,-2.03,;.51,-3.57,;-.83,-1.26,;-.83,.28,;-2.16,1.05,;-3.49,.28,;-3.49,-1.26,;-2.16,-2.03,;-4.83,1.05,;-6.16,.28,;-6.16,-1.26,;-7.5,1.05,;-8.83,.28,;-10.16,1.05,;-10.16,2.59,;-8.83,3.36,;-7.5,2.59,;-6.16,3.36,;-4.83,4.13,;4.64,-1.55,)|
BDBM118175 Fc1ccccc1-c1cccc(NC(=O)[C@@H]2CC[C@@H](CC2)NC(=O)c2ccon2)c1 |r,wU:18.22,15.15,(8.52,-2.93,;8.52,-1.39,;9.85,-.62,;9.85,.92,;8.52,1.69,;7.19,.92,;7.19,-.62,;5.85,-1.39,;5.85,-2.93,;4.52,-3.7,;3.19,-2.93,;3.19,-1.39,;1.85,-.62,;.52,-1.39,;.52,-2.93,;-.82,-.62,;-.82,.92,;-2.15,1.69,;-3.48,.92,;-3.48,-.62,;-2.15,-1.39,;-4.82,1.69,;-6.15,.92,;-6.15,-.62,;-7.48,1.69,;-8.95,1.21,;-9.85,2.46,;-8.95,3.7,;-7.48,3.23,;4.52,-.62,)|
BDBM118176 Fc1ccccc1-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)NC(=O)c2ccon2)cc1 |r,wU:17.21,14.14,(8.52,-.24,;8.52,-1.78,;9.85,-2.55,;9.85,-4.09,;8.52,-4.86,;7.19,-4.09,;7.19,-2.55,;5.85,-1.78,;4.52,-2.55,;3.19,-1.78,;3.19,-.24,;1.85,.53,;.52,-.24,;.52,-1.78,;-.82,.53,;-.82,2.07,;-2.15,2.84,;-3.48,2.07,;-3.48,.53,;-2.15,-.24,;-4.82,2.84,;-6.15,2.07,;-6.15,.53,;-7.48,2.84,;-8.95,2.37,;-9.85,3.61,;-8.95,4.86,;-7.48,4.38,;4.52,.53,;5.85,-.24,)|
BDBM118177 CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)NC(=O)c3ccon3)cc2oc1=O |r,wU:14.17,11.10,(6.67,-4.84,;7.76,-3.76,;9.25,-4.15,;7.36,-2.27,;5.9,-1.79,;4.56,-2.56,;3.23,-1.79,;3.23,-.25,;1.9,.52,;.56,-.25,;.56,-1.79,;-.77,.52,;-.77,2.06,;-2.1,2.83,;-3.44,2.06,;-3.44,.52,;-2.1,-.25,;-4.77,2.83,;-6.1,2.06,;-6.1,.52,;-7.44,2.83,;-8.9,2.35,;-9.81,3.6,;-8.9,4.84,;-7.44,4.37,;4.56,.52,;5.9,-.25,;7.36,.22,;8.27,-1.02,;9.81,-1.02,)|
BDBM118178 O=C(Nc1ccc(cc1)-c1ccccc1)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccon1 |r,wU:18.23,15.16,(.52,-1.78,;.52,-.24,;1.85,.53,;3.19,-.24,;3.19,-1.78,;4.52,-2.55,;5.85,-1.78,;5.85,-.24,;4.52,.53,;7.19,-2.55,;7.19,-4.09,;8.52,-4.86,;9.85,-4.09,;9.85,-2.55,;8.52,-1.78,;-.82,.53,;-.82,2.07,;-2.15,2.84,;-3.48,2.07,;-3.48,.53,;-2.15,-.24,;-4.82,2.84,;-6.15,2.07,;-6.15,.53,;-7.48,2.84,;-8.95,2.37,;-9.85,3.61,;-8.95,4.86,;-7.48,4.38,)|
BDBM118179 Clc1ccc(cc1Cl)-c1c[nH]c(n1)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccon1 |r,wU:16.21,13.14,(9.04,-4.47,;7.7,-3.7,;6.37,-4.47,;5.04,-3.7,;5.04,-2.16,;6.37,-1.39,;7.7,-2.16,;9.04,-1.39,;3.7,-1.39,;3.7,.15,;2.24,.62,;1.33,-.62,;2.24,-1.87,;,.15,;,1.69,;-1.33,2.46,;-2.67,1.69,;-2.67,.15,;-1.33,-.62,;-4,2.46,;-5.33,1.69,;-5.33,.15,;-6.67,2.46,;-8.13,1.98,;-9.04,3.23,;-8.13,4.47,;-6.67,4,)|
BDBM118180 Clc1cccc(c1)-c1c[nH]c(n1)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccon1 |r,wU:15.20,12.13,(9.04,-1.39,;7.7,-2.16,;7.7,-3.7,;6.37,-4.47,;5.04,-3.7,;5.04,-2.16,;6.37,-1.39,;3.7,-1.39,;3.7,.15,;2.24,.62,;1.33,-.62,;2.24,-1.87,;,.15,;,1.69,;-1.33,2.46,;-2.67,1.69,;-2.67,.15,;-1.33,-.62,;-4,2.46,;-5.33,1.69,;-5.33,.15,;-6.67,2.46,;-8.13,1.98,;-9.04,3.23,;-8.13,4.47,;-6.67,4,)|
BDBM118181 FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccon1 |r,wU:18.23,15.16,(9.7,-.62,;8.37,-1.39,;9.14,-2.73,;7.6,-.06,;7.04,-2.16,;7.04,-3.7,;5.7,-4.47,;4.37,-3.7,;4.37,-2.16,;5.7,-1.39,;3.04,-1.39,;3.04,.15,;1.57,.62,;.67,-.62,;1.57,-1.87,;-.67,.15,;-.67,1.69,;-2,2.46,;-3.33,1.69,;-3.33,.15,;-2,-.62,;-4.67,2.46,;-6,1.69,;-6,.15,;-7.34,2.46,;-8.8,1.98,;-9.7,3.23,;-8.8,4.47,;-7.34,4,)|
BDBM118182 Fc1cccc(N[C@H]2CC[C@H](CC2)C(=O)Nc2ccn(n2)-c2ccccc2F)n1 |r,wU:7.6,10.13,(-10.16,2.59,;-8.83,1.82,;-8.83,.28,;-7.5,-.49,;-6.16,.28,;-6.16,1.82,;-4.83,2.59,;-3.49,1.82,;-2.16,2.59,;-.83,1.82,;-.83,.28,;-2.16,-.49,;-3.49,.28,;.51,-.49,;.51,-2.03,;1.84,.28,;3.17,-.49,;3.17,-2.03,;4.64,-2.5,;5.54,-1.26,;4.64,-.01,;7.08,-1.26,;7.85,-2.59,;9.39,-2.59,;10.16,-1.26,;9.39,.08,;7.85,.08,;7.08,1.41,;-7.5,2.59,)|
BDBM118183 CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)Nc3cccc(F)n3)cc2oc1=O |r,wU:14.17,11.10,(6.82,-3.84,;7.91,-2.75,;9.4,-3.15,;7.51,-1.26,;6.05,-.78,;4.71,-1.55,;3.38,-.78,;3.38,.76,;2.05,1.53,;.71,.76,;.71,-.78,;-.62,1.53,;-.62,3.07,;-1.95,3.84,;-3.29,3.07,;-3.29,1.53,;-1.95,.76,;-4.62,3.84,;-5.96,3.07,;-5.96,1.53,;-7.29,.76,;-8.62,1.53,;-8.62,3.07,;-9.96,3.84,;-7.29,3.84,;4.71,1.53,;6.05,.76,;7.51,1.23,;8.42,-.01,;9.96,-.01,)|
BDBM118184 C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2cc(Cl)ccn2)cc1 |r,wU:18.22,15.15,5.5,1.0,(7.34,-4.62,;7.34,-3.08,;6,-2.31,;6,-.77,;7.34,,;8.67,-.77,;10,,;8.67,-2.31,;4.67,,;3.33,-.77,;2,,;2,1.54,;.67,2.31,;-.67,1.54,;-.67,,;-2,2.31,;-2,3.85,;-3.33,4.62,;-4.67,3.85,;-4.67,2.31,;-3.33,1.54,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-10,2.31,;-10,3.85,;-8.67,4.62,;3.33,2.31,;4.67,1.54,)|
BDBM118185 FC(F)Oc1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2ccccc2C#N)cc1 |r,wU:14.17,11.10,(9.34,-4.23,;8,-3.47,;8,-1.93,;6.67,-4.23,;5.33,-3.46,;4,-4.23,;2.67,-3.46,;2.67,-1.93,;1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-1.15,;-1.33,.38,;-2.67,1.15,;-4,.38,;-4,-1.15,;-2.67,-1.93,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-8,-1.92,;-9.34,-1.15,;-9.34,.38,;-8,1.15,;-8,2.69,;-8,4.23,;4,-1.15,;5.33,-1.93,)|
BDBM118186 C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2cc(ccc2C#N)C(F)(F)F)cc1 |r,wU:18.22,15.15,1.0,5.5,(7.44,-6.16,;7.44,-4.62,;6.1,-3.85,;6.1,-2.31,;7.44,-1.54,;8.77,-2.31,;10.11,-1.54,;8.77,-3.85,;4.77,-1.54,;3.44,-2.31,;2.1,-1.54,;2.1,,;.77,.77,;-.56,,;-.56,-1.54,;-1.9,.77,;-1.9,2.31,;-3.23,3.08,;-4.56,2.31,;-4.56,.77,;-3.23,,;-5.9,3.08,;-7.23,2.31,;-7.23,.77,;-8.57,,;-9.9,.77,;-9.9,2.31,;-8.57,3.08,;-8.57,4.62,;-8.57,6.16,;-8.57,-1.54,;-8.57,-3.08,;-10.11,-1.54,;-7.03,-1.54,;3.44,.77,;4.77,,)|
BDBM118187 C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2cc(Cl)ccc2C#N)cc1 |r,wU:18.22,15.15,1.0,5.5,(7.34,-6.16,;7.34,-4.62,;6,-3.85,;6,-2.31,;7.34,-1.54,;8.67,-2.31,;10,-1.54,;8.67,-3.85,;4.67,-1.54,;3.33,-2.31,;2,-1.54,;2,,;.67,.77,;-.67,,;-.67,-1.54,;-2,.77,;-2,2.31,;-3.33,3.08,;-4.67,2.31,;-4.67,.77,;-3.33,,;-6,3.08,;-7.34,2.31,;-7.34,.77,;-8.67,,;-8.67,-1.54,;-10,.77,;-10,2.31,;-8.67,3.08,;-8.67,4.62,;-8.67,6.16,;3.33,.77,;4.67,,)|
BDBM118188 CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)Oc3cc(Cl)ccc3C#N)cc2oc1=O |r,wU:14.17,11.10,(6.15,-5.38,;7.24,-4.29,;8.73,-4.69,;6.84,-2.8,;5.38,-2.32,;4.05,-3.09,;2.71,-2.32,;2.71,-.78,;1.38,-.01,;.05,-.78,;.05,-2.32,;-1.29,-.01,;-1.29,1.53,;-2.62,2.3,;-3.96,1.53,;-3.96,-.01,;-2.62,-.78,;-5.29,2.3,;-6.62,1.53,;-6.62,-.01,;-7.96,-.78,;-7.96,-2.32,;-9.29,-.01,;-9.29,1.53,;-7.96,2.3,;-7.96,3.84,;-7.96,5.38,;4.05,-.01,;5.38,-.78,;6.84,-.31,;7.75,-1.55,;9.29,-1.55,)|
BDBM118189 CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)Oc3cc(ccc3C#N)C(F)(F)F)cc2oc1=O |r,wU:14.17,11.10,(6.26,-5.38,;7.35,-4.29,;8.83,-4.69,;6.95,-2.8,;5.48,-2.32,;4.15,-3.09,;2.82,-2.32,;2.82,-.78,;1.48,-.01,;.15,-.78,;.15,-2.32,;-1.18,-.01,;-1.18,1.53,;-2.52,2.3,;-3.85,1.53,;-3.85,-.01,;-2.52,-.78,;-5.19,2.3,;-6.52,1.53,;-6.52,-.01,;-7.85,-.78,;-9.19,-.01,;-9.19,1.53,;-7.85,2.3,;-7.85,3.84,;-7.85,5.38,;-7.85,-2.32,;-7.85,-3.86,;-9.39,-2.32,;-6.31,-2.32,;4.15,-.01,;5.48,-.78,;6.95,-.31,;7.85,-1.55,;9.39,-1.55,)|
BDBM118190 CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)Oc3cc(ccn3)C(F)(F)F)cc2oc1=O |r,wU:14.17,11.10,(6.26,-3.84,;7.35,-2.75,;8.83,-3.15,;6.95,-1.26,;5.48,-.78,;4.15,-1.55,;2.82,-.78,;2.82,.76,;1.48,1.53,;.15,.76,;.15,-.78,;-1.18,1.53,;-1.18,3.07,;-2.52,3.84,;-3.85,3.07,;-3.85,1.53,;-2.52,.76,;-5.19,3.84,;-6.52,3.07,;-6.52,1.53,;-7.85,.76,;-9.19,1.53,;-9.19,3.07,;-7.85,3.84,;-7.85,-.78,;-7.85,-2.32,;-9.39,-.78,;-6.31,-.78,;4.15,1.53,;5.48,.76,;6.95,1.23,;7.85,-.01,;9.39,-.01,)|
BDBM118191 Fc1ccccc1-n1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2cc(Cl)ccn2)n1 |r,wU:17.21,14.14,(6.42,1.41,;7.19,.08,;8.73,.08,;9.5,-1.26,;8.73,-2.59,;7.19,-2.59,;6.42,-1.26,;4.88,-1.26,;3.97,-2.5,;2.51,-2.03,;2.51,-.49,;1.17,.28,;-.16,-.49,;-.16,-2.03,;-1.49,.28,;-1.49,1.82,;-2.83,2.59,;-4.16,1.82,;-4.16,.28,;-2.83,-.49,;-5.5,2.59,;-6.83,1.82,;-6.83,.28,;-8.16,-.49,;-8.16,-2.03,;-9.5,.28,;-9.5,1.82,;-8.16,2.59,;3.97,-.01,)|
BDBM118192 Fc1ccccc1-n1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2c3ccccc3OS2(=O)=O)n1 |r,wU:17.21,14.14,(6.68,-.13,;7.45,-1.46,;8.99,-1.46,;9.76,-2.8,;8.99,-4.13,;7.45,-4.13,;6.68,-2.8,;5.14,-2.8,;4.23,-4.04,;2.77,-3.57,;2.77,-2.03,;1.44,-1.26,;.1,-2.03,;.1,-3.57,;-1.23,-1.26,;-1.23,.28,;-2.56,1.05,;-3.9,.28,;-3.9,-1.26,;-2.56,-2.03,;-5.23,1.05,;-6.7,.58,;-7.32,-.83,;-8.85,-.99,;-9.76,.25,;-9.13,1.66,;-7.6,1.82,;-6.7,3.07,;-5.23,2.59,;-5.23,4.13,;-3.69,2.59,;4.23,-1.55,)|
BDBM50162686 Cc1cc(C(=O)c2cnc(Nc3cccc(c3)C#N)s2)c(C)s1
BDBM50162687 Fc1ccccc1C(=O)c1cnc(Nc2ccc(Cl)cc2)s1
BDBM50162688 Cc1ccccc1C(=O)c1cnc(Nc2cccc(c2)C(F)(F)F)s1
BDBM50162689 CCc1ccccc1C(=O)c1cnc(Nc2cccc(c2)C(F)(F)F)s1
BDBM50162690 Cc1ccccc1C(=O)c1cnc(Nc2cccc(c2)C#N)s1
BDBM50162691 FC(F)(F)c1cccc(Nc2ncc(s2)C(=O)c2ccccc2C(F)(F)F)c1
BDBM50162692 COc1ccc(cc1)C(=O)c1cnc(Nc2cccc(c2)C#N)s1
BDBM50162693 Fc1cccc(c1)C(=O)c1cnc(Nc2cccc(c2)C(F)(F)F)s1
BDBM50162694 CCc1ccccc1C(=O)c1cnc(Nc2cccc(c2)C#N)s1
BDBM50162695 FC(F)(F)c1ccccc1C(=O)c1cnc(Nc2cccc(c2)C#N)s1
BDBM50162696 COc1cccc(Nc2ncc(s2)C(=O)c2ccccc2F)c1
BDBM50162697 Fc1ccccc1C(=O)c1cnc(Nc2cccc(c2)C#N)s1
BDBM50162698 Cc1cc(C(=O)c2cnc(Nc3cccc(c3)C(F)(F)F)s2)c(C)s1
BDBM50168682 Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)n1
BDBM50168683 COc1ccc(C)cc1S(=O)(=O)NCCCNc1nc(cs1)C(=O)c1ccccc1C
BDBM50168684 Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccc(F)c2)n1
BDBM50168685 COc1ccc(OC)c(c1)S(=O)(=O)NCCCNc1ncc(s1)C(=O)c1ccccc1C
BDBM50168686 Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1
BDBM50168687 Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccc(F)c2)s1
BDBM50168688 Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)s1
BDBM50168689 Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccs2)n1
BDBM50168690 Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccs2)s1
BDBM50168691 COc1ccc(C)cc1S(=O)(=O)NCCCNc1ncc(s1)C(=O)c1ccccc1C
BDBM50168692 COc1ccc(OC)c(c1)S(=O)(=O)NCCCNc1nc(cs1)C(=O)c1ccccc1C
BDBM50168693 COc1cccc(c1)S(=O)(=O)NCCCNc1ncc(s1)C(=O)c1ccccc1C
BDBM50249869 O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50296881 COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F |r|
BDBM50365397 CCS(=O)(=O)c1ccc2oc(Nc3ccc(cc3)N3C[C@H](C)O[C@H](C)C3)nc2c1 |r|
BDBM50365398 CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2c1 |r|
BDBM50365399 CCOc1ccc(Nc2nc3cc(ccc3o2)S(C)(=O)=O)cc1
BDBM50365400 CCOc1ccc(Nc2nc3cc(ccc3o2)S(=O)(=O)C(C)C)cc1
BDBM50365401 CCOc1ccc(Nc2nc3cc(ccc3o2)S(=O)(=O)C(C)(C)C)cc1
BDBM50365402 CCOc1ccc(Nc2nc3cc(NS(=O)(=O)CC)ccc3o2)cc1
BDBM50365403 CCOc1ccc(Nc2nc3ccc(cc3o2)S(=O)(=O)CC)cc1
BDBM50365404 CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1
BDBM50365405 CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)C(C)(C)C)cc3o2)cc1
BDBM50365406 C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nc3ccc(NS(=O)(=O)C(C)(C)C)cc3o2)cc1 |r|
BDBM50365407 CCS(=O)(=O)c1ccc2oc(NC3CCCCC3)nc2c1
BDBM50365408 CCS(=O)(=O)c1ccc2oc(NC3CCC(CC3)C(C)(C)C)nc2c1 |(-7.55,-49.75,;-6.23,-50.52,;-4.9,-49.75,;-5.68,-48.41,;-4.13,-48.4,;-3.56,-50.52,;-3.57,-52.06,;-2.23,-52.83,;-.9,-52.06,;.58,-52.54,;1.49,-51.28,;3.03,-51.28,;3.8,-49.95,;5.34,-49.95,;6.11,-48.63,;5.34,-47.29,;3.8,-47.29,;3.02,-48.62,;6.12,-45.96,;7.66,-45.96,;5.35,-44.62,;6.88,-44.62,;.57,-50.03,;-.9,-50.51,;-2.24,-49.75,)|
BDBM50365409 CCS(=O)(=O)c1ccc2oc(NCc3ccccc3)nc2c1
BDBM50365410 CCS(=O)(=O)c1ccc2oc(NC(C)(C)c3ccccc3)nc2c1
BDBM50365411 CCS(=O)(=O)c1ccc2oc(Nc3ccc(nc3)C(F)(F)F)nc2c1
BDBM50365412 CCS(=O)(=O)c1ccc2oc(Nc3ccc(cn3)C(F)(F)F)nc2c1
BDBM50365413 CCS(=O)(=O)c1ccc2oc(Nc3ccc(nc3)N3CCOCC3)nc2c1
BDBM50365414 CCS(=O)(=O)c1ccc2oc(Nc3ccc(nc3)N3C[C@H](C)O[C@H](C)C3)nc2c1 |r|
BDBM50365415 CCOc1ccc(Nc2nc3cc(ccc3o2)S(=O)(=O)CC)cc1
BDBM50365416 Clc1cccc(CSc2nc3ccc(cc3[nH]2)S(=O)(=O)N2CCOCC2)c1
BDBM50365417 CCS(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1
BDBM50365418 CCS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)cc3)nc2c1
BDBM50365419 CCS(=O)(=O)c1ccc2oc(Nc3ccc(cc3)C(F)(F)F)nc2c1
BDBM50365420 CCS(=O)(=O)c1ccc2oc(Nc3cccc(c3)C(F)(F)F)nc2c1
BDBM50365421 CCS(=O)(=O)c1ccc2oc(Nc3ccccc3C(F)(F)F)nc2c1
BDBM50365422 CCS(=O)(=O)c1ccc2oc(Nc3ccc(cc3)C(C)(C)C)nc2c1
BDBM50365423 CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(F)(F)F)cc3)nc2c1
BDBM50365424 CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(C)C)cc3)nc2c1
BDBM50365425 CCS(=O)(=O)c1ccc2oc(Nc3ccc(cc3)N3CCOCC3)nc2c1
BDBM50380914 CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |r,wU:8.7,wD:11.14,(16.68,6.49,;16.68,4.95,;15.35,4.18,;15.34,5.72,;18.02,4.19,;19.1,5.29,;19.5,3.8,;18.02,2.65,;19.36,1.88,;20.69,2.66,;22.02,1.88,;22.02,.34,;20.69,-.42,;19.36,.34,;23.35,-.43,;23.35,-1.97,;24.68,.34,;26.02,-.43,;26.01,-1.97,;27.34,-2.74,;28.68,-1.97,;28.67,-.43,;27.34,.34,;30.01,-2.74,;30.01,-4.28,;31.34,-1.97,;31.34,-3.51,)|
BDBM50390212 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(n1)-c1ccccc1
BDBM50390213 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(C)c(c1)-c1ccccc1
BDBM50390214 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1C)-c1ccccc1
BDBM50390215 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1C)-c1ccccc1
BDBM50390216 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(Cl)c(c1)-c1ccccc1
BDBM50390217 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1Cl)-c1ccccc1
BDBM50390218 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1Cl
BDBM50390219 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(F)c(c1)-c1ccccc1
BDBM50390220 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1F)-c1ccccc1
BDBM50390221 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1F
BDBM50390222 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1
BDBM50390223 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)C(F)(F)F
BDBM50390224 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1
BDBM50390225 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1
BDBM50390226 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccccc1-c1ccccc1
BDBM50390227 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccccc1
BDBM50390228 FC(F)(F)CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1
BDBM50390229 FC(F)(F)S(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1
BDBM50390230 CC(C)(C)S(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1
BDBM50390231 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1
BDBM50390232 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccnc(c1)-c1ccccc1
BDBM50390233 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cncc(c1)-c1ccccc1
BDBM50390234 CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccn1)-c1ccccc1
BDBM50390235 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cn(ccc1=O)-c1ccccc1
BDBM50390236 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1
BDBM50390237 CCCS(=O)(=O)c1ccc2[nH]c(cc2c1)-c1cccc(c1)-c1ccccc1
BDBM50390238 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccn(-c2ccccc2)c1=O
BDBM50390239 CCCS(=O)(=O)c1ccc2cc([nH]c2c1)-c1cccc(c1)-c1ccccc1
BDBM50394211 CC(C)CS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
BDBM50394212 CC(C)(C)S(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
BDBM50394213 CC(C)S(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
BDBM50394214 CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
BDBM50394215 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)C1CCC(=O)N(C1)c1ccccc1
BDBM50394216 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)C1CN(CCO1)c1ccccc1
BDBM50394217 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)C1CCOC(C1)c1ccccc1
BDBM50394218 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
BDBM50394219 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCN(C)C(C1)c1ccccc1
BDBM50394220 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCNC(C1)c1ccccc1
BDBM50394221 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCCC(C1)c1ccccc1
BDBM50394222 CCCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCC(C1)c1ccccc1
BDBM50394223 FC(F)(F)S(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
BDBM50394224 FC(F)(F)CS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
BDBM50394225 CC(C)(C(F)(F)F)S(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
BDBM50394226 CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccc(F)cc1
BDBM50394227 CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccc(Cl)cc1
BDBM50394228 CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccc(C)cc1
BDBM50394229 CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccc(OC)cc1
BDBM50424173 CCS(=O)(=O)c1ccc2nc(OCc3cccc(Cl)c3)[nH]c2c1
BDBM50424174 CCS(=O)(=O)c1ccc2nc(OCCc3ccccc3)[nH]c2c1
BDBM50424175 CCS(=O)(=O)c1ccc2nc(OCC(F)(F)c3ccccc3)[nH]c2c1
BDBM50424176 CCS(=O)(=O)c1ccc2nc(Oc3ccccc3C(F)(F)F)[nH]c2c1
BDBM50424177 CCS(=O)(=O)c1ccc2nc(Oc3cccc(c3)C(F)(F)F)[nH]c2c1
BDBM50424178 CCS(=O)(=O)c1ccc2nc(Oc3ccc(cc3)C(F)(F)F)[nH]c2c1
BDBM50424179 CCS(=O)(=O)c1ccc2nc(Oc3cccc(OC(F)(F)F)c3)[nH]c2c1
BDBM50424180 CCS(=O)(=O)c1ccc2nc(Oc3ccc(OC(F)(F)F)cc3)[nH]c2c1
BDBM50424181 CCS(=O)(=O)c1ccc2nc(Oc3cccc(c3)-c3ccccc3)[nH]c2c1
BDBM50424182 CCS(=O)(=O)c1ccc2nc(Oc3ccc(cc3)-c3ccccc3)[nH]c2c1
BDBM50424183 CCS(=O)(=O)c1ccc2nc(Oc3ccc(cc3)-c3ccccn3)[nH]c2c1
BDBM50424184 CCS(=O)(=O)c1ccc2nc(Oc3ccc(nc3)-c3ccccc3)[nH]c2c1
BDBM50424185 CCS(=O)(=O)c1ccc2nc(Oc3ccc(cn3)-c3ccccc3)[nH]c2c1
BDBM50424186 CCS(=O)(=O)c1ccc2nc(O[C@H]3CC[C@@H](CC3)c3ccccc3)[nH]c2c1 |r,wU:15.18,wD:12.11,(5.67,-36.01,;7.01,-36.78,;8.34,-36.01,;9.1,-34.67,;7.24,-34.91,;9.67,-36.78,;9.67,-38.32,;11,-39.09,;12.34,-38.32,;13.82,-38.79,;14.72,-37.53,;16.26,-37.52,;17.02,-36.18,;18.55,-36.17,;19.31,-34.84,;18.53,-33.51,;16.99,-33.52,;16.23,-34.86,;19.29,-32.17,;20.83,-32.16,;21.59,-30.82,;20.81,-29.49,;19.26,-29.51,;18.51,-30.85,;13.81,-36.29,;12.34,-36.77,;11,-36.01,)|
BDBM50424187 CCS(=O)(=O)c1ccc2nc(Cc3ccc(cc3)-c3ccccc3)[nH]c2c1
BDBM50424188 CCS(=O)(=O)c1ccc2nc([nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50424189 CCS(=O)(=O)c1ccc2nc([nH]c2c1)C(F)(F)c1ccc(cc1)-c1ccccc1
BDBM50424190 CCS(=O)(=O)c1ccc2nc([nH]c2c1)C1(CC1)c1ccc(cc1)-c1ccccc1
BDBM50424191 CCS(=O)(=O)c1ccc2nc(SCc3cccc(Cl)c3)[nH]c2c1
BDBM141342 CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cc1 |r,wU:7.6,wD:10.13,(-10.27,.87,;-8.93,.1,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;6.42,.67,)|
BDBM141343 CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccccc1 |r,wU:7.6,wD:10.13,(-9.5,.87,;-8.16,.1,;-6.83,.87,;-7.6,2.21,;-6.06,2.21,;-5.5,.1,;-4.16,.87,;-2.83,.1,;-1.49,.87,;-.16,.1,;-.16,-1.44,;-1.49,-2.21,;-2.83,-1.44,;1.17,-2.21,;2.51,-1.44,;3.97,-1.91,;4.88,-.67,;3.97,.58,;2.51,.1,;6.42,-.67,;7.19,-2,;8.73,-2,;9.5,-.67,;8.73,.67,;7.19,.67,)|
BDBM141344 CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(F)c1 |r,wU:7.6,wD:10.13,(-9.5,.87,;-8.16,.1,;-6.83,.87,;-7.6,2.21,;-6.06,2.21,;-5.5,.1,;-4.16,.87,;-2.83,.1,;-1.49,.87,;-.16,.1,;-.16,-1.44,;-1.49,-2.21,;-2.83,-1.44,;1.17,-2.21,;2.51,-1.44,;3.97,-1.91,;4.88,-.67,;3.97,.58,;2.51,.1,;6.42,-.67,;7.19,-2,;8.73,-2,;9.5,-.67,;8.73,.67,;9.5,2,;7.19,.67,)|
BDBM141345 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(F)c1 |r,wU:8.7,wD:11.14,(-9.5,.87,;-8.16,.1,;-8.16,-1.44,;-6.83,.87,;-7.6,2.21,;-6.06,2.21,;-5.5,.1,;-4.16,.87,;-2.83,.1,;-1.49,.87,;-.16,.1,;-.16,-1.44,;-1.49,-2.21,;-2.83,-1.44,;1.17,-2.21,;2.51,-1.44,;3.97,-1.91,;4.88,-.67,;3.97,.58,;2.51,.1,;6.42,-.67,;7.19,-2,;8.73,-2,;9.5,-.67,;8.73,.67,;9.5,2,;7.19,.67,)|
BDBM141346 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cc1 |r,wU:6.5,wD:9.12,(-9.6,.1,;-8.27,.87,;-9.04,2.21,;-7.5,2.21,;-6.93,.1,;-5.6,.87,;-4.26,.1,;-2.93,.87,;-1.6,.1,;-1.6,-1.44,;-2.93,-2.21,;-4.26,-1.44,;-.26,-2.21,;1.07,-1.44,;2.53,-1.91,;3.44,-.67,;2.53,.58,;1.07,.1,;4.98,-.67,;5.75,-2,;7.29,-2,;8.06,-.67,;9.6,-.67,;7.29,.67,;5.75,.67,)|
BDBM141347 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccccc1 |r,wU:8.7,wD:11.14,(-9.5,.87,;-8.16,.1,;-8.16,-1.44,;-6.83,.87,;-7.6,2.21,;-6.06,2.21,;-5.5,.1,;-4.16,.87,;-2.83,.1,;-1.49,.87,;-.16,.1,;-.16,-1.44,;-1.49,-2.21,;-2.83,-1.44,;1.17,-2.21,;2.51,-1.44,;3.97,-1.91,;4.88,-.67,;3.97,.58,;2.51,.1,;6.42,-.67,;7.19,-2,;8.73,-2,;9.5,-.67,;8.73,.67,;7.19,.67,)|
BDBM141348 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(F)c1 |r,wU:6.5,wD:9.12,(-8.83,.1,;-7.5,.87,;-8.27,2.21,;-6.73,2.21,;-6.16,.1,;-4.83,.87,;-3.49,.1,;-2.16,.87,;-.83,.1,;-.83,-1.44,;-2.16,-2.21,;-3.49,-1.44,;.51,-2.21,;1.84,-1.44,;3.3,-1.91,;4.21,-.67,;3.3,.58,;1.84,.1,;5.75,-.67,;6.52,-2,;8.06,-2,;8.83,-.67,;8.06,.67,;8.83,2,;6.52,.67,)|
BDBM141349 CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)c(F)c1 |r,wU:7.6,wD:10.13,(-10.27,.87,;-8.93,.1,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;8.73,2,;6.42,.67,)|
BDBM141350 CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cc1F |r,wU:7.6,wD:10.13,(-10.27,.87,;-8.93,.1,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;6.42,.67,;5.65,2,)|
BDBM141351 CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cc(F)cc(F)c1 |r,wU:7.6,wD:10.13,(-9.5,1.44,;-8.16,.67,;-6.83,1.44,;-7.6,2.77,;-6.06,2.77,;-5.5,.67,;-4.16,1.44,;-2.83,.67,;-1.49,1.44,;-.16,.67,;-.16,-.87,;-1.49,-1.64,;-2.83,-.87,;1.17,-1.64,;2.51,-.87,;3.97,-1.35,;4.88,-.1,;3.97,1.14,;2.51,.67,;6.42,-.1,;7.19,1.23,;8.73,1.23,;9.5,2.56,;9.5,-.1,;8.73,-1.44,;9.5,-2.77,;7.19,-1.44,)|
BDBM141352 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(Cl)c1 |r,wU:6.5,wD:9.12,(-8.83,.1,;-7.5,.87,;-8.27,2.21,;-6.73,2.21,;-6.16,.1,;-4.83,.87,;-3.49,.1,;-2.16,.87,;-.83,.1,;-.83,-1.44,;-2.16,-2.21,;-3.49,-1.44,;.51,-2.21,;1.84,-1.44,;3.3,-1.91,;4.21,-.67,;3.3,.58,;1.84,.1,;5.75,-.67,;6.52,-2,;8.06,-2,;8.83,-.67,;8.06,.67,;8.83,2,;6.52,.67,)|
BDBM141353 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cn1 |r,wU:8.7,wD:11.14,(-10.27,.87,;-8.93,.1,;-8.93,-1.44,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;6.42,.67,)|
BDBM141354 CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1ccc(F)cn1 |r,wU:9.8,wD:12.15,(-10.27,.87,;-8.93,.1,;-8.93,-1.44,;-10.27,-.67,;-7.6,.87,;-8.37,2.21,;-6.83,2.21,;-6.27,.1,;-4.93,.87,;-3.6,.1,;-2.26,.87,;-.93,.1,;-.93,-1.44,;-2.26,-2.21,;-3.6,-1.44,;.4,-2.21,;1.74,-1.44,;3.2,-1.91,;4.11,-.67,;3.2,.58,;1.74,.1,;5.65,-.67,;6.42,-2,;7.96,-2,;8.73,-.67,;10.27,-.67,;7.96,.67,;6.42,.67,)|
BDBM141355 CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(C)(C)c1ccccc1 |r,wU:9.8,wD:12.15,(-9.5,.31,;-8.16,-.46,;-8.16,-2,;-9.5,-1.23,;-6.83,.31,;-7.6,1.64,;-6.06,1.64,;-5.5,-.46,;-4.16,.31,;-2.83,-.46,;-1.49,.31,;-.16,-.46,;-.16,-2,;-1.49,-2.77,;-2.83,-2,;1.17,-2.77,;2.51,-2,;3.97,-2.48,;4.88,-1.23,;3.97,.02,;2.51,-.46,;6.42,-1.23,;6.42,-2.77,;7.75,-2,;7.19,.1,;8.73,.1,;9.5,1.44,;8.73,2.77,;7.19,2.77,;6.42,1.44,)|
BDBM141356 CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(F)(F)F |r,wU:9.8,wD:12.15,(-8.73,.87,;-7.39,.1,;-7.39,-1.44,;-8.73,-.67,;-6.06,.87,;-6.83,2.21,;-5.29,2.21,;-4.73,.1,;-3.39,.87,;-2.06,.1,;-.72,.87,;.61,.1,;.61,-1.44,;-.72,-2.21,;-2.06,-1.44,;1.94,-2.21,;3.28,-1.44,;4.74,-1.91,;5.65,-.67,;4.74,.58,;3.28,.1,;7.19,-.67,;7.96,.67,;7.96,-2,;8.73,-.67,)|
BDBM141357 CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C1(F)CCCC1 |r,wU:7.6,wD:10.13,(-9.14,.87,;-7.81,.1,;-6.47,.87,;-7.24,2.21,;-5.7,2.21,;-5.14,.1,;-3.81,.87,;-2.47,.1,;-1.14,.87,;.19,.1,;.19,-1.44,;-1.14,-2.21,;-2.47,-1.44,;1.53,-2.21,;2.86,-1.44,;4.33,-1.91,;5.23,-.67,;4.33,.58,;2.86,.1,;6.77,-.67,;6,.67,;7.68,-1.91,;9.14,-1.44,;9.14,.1,;7.68,.58,)|
BDBM141358 CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C1(C)CC(F)(F)C1 |r,wU:9.8,wD:12.15,(-9.71,.87,;-8.38,.1,;-8.38,-1.44,;-9.71,-.67,;-7.04,.87,;-7.81,2.21,;-6.27,2.21,;-5.71,.1,;-4.38,.87,;-3.04,.1,;-1.71,.87,;-.38,.1,;-.38,-1.44,;-1.71,-2.21,;-3.04,-1.44,;.96,-2.21,;2.29,-1.44,;3.76,-1.91,;4.66,-.67,;3.76,.58,;2.29,.1,;6.2,-.67,;5.43,.67,;7.29,-1.76,;8.38,-.67,;9.71,.1,;9.71,-1.44,;7.29,.42,)|
BDBM141359 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(F)(F)F |r,wU:8.7,wD:11.14,(-8.73,.87,;-7.39,.1,;-7.39,-1.44,;-6.06,.87,;-6.83,2.21,;-5.29,2.21,;-4.73,.1,;-3.39,.87,;-2.06,.1,;-.72,.87,;.61,.1,;.61,-1.44,;-.72,-2.21,;-2.06,-1.44,;1.94,-2.21,;3.28,-1.44,;4.74,-1.91,;5.65,-.67,;4.74,.58,;3.28,.1,;7.19,-.67,;7.96,.67,;7.96,-2,;8.73,-.67,)|
BDBM141360 CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(co1)C(F)(F)F |r,wU:9.8,wD:12.15,(-8.73,.87,;-7.39,.1,;-7.39,-1.44,;-8.73,-.67,;-6.06,.87,;-6.83,2.21,;-5.29,2.21,;-4.73,.1,;-3.39,.87,;-2.06,.1,;-.72,.87,;.61,.1,;.61,-1.44,;-.72,-2.21,;-2.06,-1.44,;1.94,-2.21,;3.28,-1.44,;4.74,-1.91,;5.65,-.67,;4.74,.58,;3.28,.1,;7.19,-.67,;7.96,.67,;7.96,-2,;8.73,-.67,)|
BDBM141361 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C1(C)CC(F)(F)C1 |r,wU:8.7,wD:11.14,(-9.71,.87,;-8.38,.1,;-8.38,-1.44,;-7.04,.87,;-7.81,2.21,;-6.27,2.21,;-5.71,.1,;-4.38,.87,;-3.04,.1,;-1.71,.87,;-.38,.1,;-.38,-1.44,;-1.71,-2.21,;-3.04,-1.44,;.96,-2.21,;2.29,-1.44,;3.76,-1.91,;4.66,-.67,;3.76,.58,;2.29,.1,;6.2,-.67,;5.43,.67,;7.29,-1.76,;8.38,-.67,;9.71,.1,;9.71,-1.44,;7.29,.42,)|
BDBM141362 CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C(F)(F)C(F)(F)F |r,wU:12.15,wD:9.8,(7.36,6.69,;6.02,5.92,;5.25,7.26,;6.79,4.59,;4.69,5.15,;3.92,6.49,;5.46,3.82,;3.36,4.38,;3.36,2.84,;2.02,2.07,;.69,2.84,;-.65,2.07,;-.65,.53,;.69,-.24,;2.02,.53,;-1.98,-.24,;-1.98,-1.78,;-3.23,-2.68,;-2.75,-4.15,;-1.21,-4.15,;-.73,-2.68,;-3.65,-5.39,;-4.9,-4.49,;-2.41,-6.3,;-4.56,-6.64,;-5.47,-7.89,;-5.81,-5.73,;-3.31,-7.54,)|
BDBM141363 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(co1)C(F)(F)F |r,wU:8.7,wD:11.14,(-8.73,.87,;-7.39,.1,;-7.39,-1.44,;-6.06,.87,;-6.83,2.21,;-5.29,2.21,;-4.73,.1,;-3.39,.87,;-2.06,.1,;-.72,.87,;.61,.1,;.61,-1.44,;-.72,-2.21,;-2.06,-1.44,;1.94,-2.21,;3.28,-1.44,;4.74,-1.91,;5.65,-.67,;4.74,.58,;3.28,.1,;7.19,-.67,;7.96,.67,;7.96,-2,;8.73,-.67,)|
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