280 SMILES Strings for Growth arrest-specific protein 6

Compound Name
SMILES String
CCCC1(CC1)Nc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-5.23,-1.75,;-6.77,-1.75,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCC1(CC1)Nc1ncc(c(NC2CCC(O)CC2)n1)-c1ccccn1 |(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.9,-1.75,;-3.44,-1.75,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-2.67,1.54,;-1.33,.77,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,)|
CCCCCNc1cc(ncn1)-c1cnc(NCCCC)nc1NC1CC[C@H](O)CC1 |r,wD:27.29,(10.67,-.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;5.33,-.77,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;2.67,.77,;-1.33,-1.54,;-1.33,-3.08,;-2.67,-3.85,;-4,-3.08,;-5.33,-3.85,;-6.67,-3.08,;-8,-3.85,;-9.34,-3.08,;-10.67,-3.85,;-4,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,)|
CCCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(63.37,-31.5,;64.7,-32.28,;66.03,-31.51,;67.37,-32.28,;68.7,-31.51,;70.03,-32.28,;71.37,-31.51,;72.7,-32.28,;74.04,-31.51,;74.03,-29.96,;72.7,-29.2,;72.69,-27.66,;71.36,-26.89,;70.03,-27.66,;68.7,-26.89,;68.7,-25.35,;67.36,-24.57,;70.03,-24.58,;71.36,-25.34,;71.37,-29.97,;75.37,-29.18,;76.7,-29.96,;78.03,-29.18,;78.02,-27.64,;76.68,-26.88,;75.36,-27.65,)|
CCCCN(C)c1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(13.82,-42.69,;15.15,-41.92,;16.49,-42.69,;17.82,-41.92,;19.15,-42.69,;19.15,-44.23,;20.49,-41.92,;21.82,-42.69,;23.16,-41.92,;23.15,-40.37,;21.82,-39.61,;21.81,-38.07,;20.48,-37.3,;19.15,-38.07,;17.82,-37.3,;17.82,-35.76,;16.48,-34.99,;19.15,-34.99,;20.48,-35.76,;20.49,-40.38,;24.49,-39.6,;25.82,-40.37,;27.15,-39.6,;27.14,-38.05,;25.8,-37.29,;24.48,-38.06,)|
CCCCNc1cc(ncn1)-c1cnc(NCCCC)nc1NC1CC[C@H](O)CC1 |r,wD:26.28,(10,-1.54,;8.67,-.77,;7.34,-1.54,;6,-.77,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;2,1.54,;3.33,.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,;-6,-3.08,;-7.34,-3.85,;-8.67,-3.08,;-10,-3.85,;-3.33,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,)|
CCCCNc1ncc(-c2ccc(C=O)o2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:18.18,wD:21.22,(-7.01,-3.85,;-5.68,-3.08,;-4.34,-3.85,;-3.01,-3.08,;-1.68,-3.85,;-.34,-3.08,;.99,-3.85,;2.33,-3.08,;2.33,-1.54,;3.66,-.77,;5.12,-1.25,;6.03,,;5.12,1.25,;5.52,2.73,;7.01,3.13,;3.66,.77,;.99,-.77,;.99,.77,;-.34,1.54,;-1.68,.77,;-3.01,1.54,;-3.01,3.08,;-4.34,3.85,;-1.68,3.85,;-.34,3.08,;-.34,-1.54,)|
CCCCNc1ncc(-c2ccc(CN3CC(F)(F)C3)o2)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.28,(-8.98,-3.85,;-7.64,-3.08,;-6.31,-3.85,;-4.98,-3.08,;-3.64,-3.85,;-2.31,-3.08,;-.98,-3.85,;.36,-3.08,;.36,-1.54,;1.69,-.77,;3.16,-1.25,;4.06,,;3.16,1.25,;3.93,2.58,;5.47,2.58,;6.56,1.49,;7.64,2.58,;8.98,3.35,;8.98,1.81,;6.56,3.67,;1.69,.77,;-.98,-.77,;-.98,.77,;-2.31,1.54,;-3.64,.77,;-4.98,1.54,;-4.98,3.08,;-6.31,3.85,;-3.64,3.85,;-2.31,3.08,;-2.31,-1.54,)|
CCCCNc1ncc(-c2ccc(CN3CCC(F)(F)CC3)o2)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.30,(-9.43,-3.88,;-8.1,-3.11,;-6.76,-3.88,;-5.43,-3.11,;-4.09,-3.88,;-2.76,-3.11,;-1.43,-3.88,;-.09,-3.11,;-.09,-1.57,;1.24,-.8,;2.71,-1.28,;3.61,-.03,;2.71,1.21,;3.48,2.55,;5.02,2.55,;5.79,1.21,;7.33,1.21,;8.1,2.55,;9.43,3.32,;9.43,1.78,;7.33,3.88,;5.79,3.88,;1.24,.74,;-1.43,-.8,;-1.43,.74,;-2.76,1.51,;-4.09,.74,;-5.43,1.51,;-5.43,3.05,;-6.76,3.82,;-4.09,3.82,;-2.76,3.05,;-2.76,-1.57,)|
CCCCNc1ncc(-c2ccc(CN3CCOCC3)o2)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.28,(-8.76,-3.88,;-7.43,-3.11,;-6.09,-3.88,;-4.76,-3.11,;-3.43,-3.88,;-2.09,-3.11,;-.76,-3.88,;.57,-3.11,;.57,-1.57,;1.91,-.8,;3.37,-1.28,;4.28,-.03,;3.37,1.21,;4.14,2.55,;5.68,2.55,;6.45,1.21,;7.99,1.21,;8.76,2.55,;7.99,3.88,;6.45,3.88,;1.91,.74,;-.76,-.8,;-.76,.74,;-2.09,1.51,;-3.43,.74,;-4.76,1.51,;-4.76,3.05,;-6.09,3.82,;-3.43,3.82,;-2.09,3.05,;-2.09,-1.57,)|
CCCCNc1ncc(-c2ccc(o2)C(=O)NC2CCN(C)CC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:29.31,(-8.76,-5.88,;-7.43,-5.11,;-6.09,-5.88,;-4.76,-5.11,;-3.43,-5.88,;-2.09,-5.11,;-.76,-5.88,;.57,-5.11,;.57,-3.57,;1.91,-2.8,;3.37,-3.28,;4.28,-2.03,;3.37,-.79,;1.91,-1.26,;4.14,.55,;3.37,1.88,;5.68,.55,;6.45,1.88,;7.99,1.88,;8.76,3.21,;7.99,4.55,;8.76,5.88,;6.45,4.55,;5.68,3.21,;-.76,-2.8,;-.76,-1.26,;-2.09,-.49,;-3.43,-1.26,;-4.76,-.49,;-4.76,1.05,;-6.09,1.82,;-3.43,1.82,;-2.09,1.05,;-2.09,-3.57,)|
CCCCNc1ncc(-c2ccccn2)c(n1)N1CCNCC1
CCCCNc1ncc(-c2cn(C)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;.82,-3.85,;2.15,-3.08,;2.15,-1.54,;3.48,-.77,;4.95,-1.25,;5.85,,;7.19,-.77,;4.95,1.25,;3.48,.77,;.82,-.77,;.82,.77,;-.52,1.54,;-1.85,.77,;-3.19,1.54,;-3.19,3.08,;-4.52,3.85,;-1.85,3.85,;-.52,3.08,;-.52,-1.54,)|
CCCCNc1ncc(-c2cn(cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:35.38,wD:38.42,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.95,-1.25,;3.89,,;2.95,1.25,;1.48,.77,;5.43,,;6.97,,;7.74,1.33,;9.28,1.33,;10.05,,;9.28,-1.33,;7.74,-1.33,;5.43,-1.54,;6.77,-2.31,;6.77,-3.85,;5.43,-4.62,;4.1,-3.85,;4.1,-2.31,;5.43,1.54,;4.1,2.31,;4.1,3.85,;5.43,4.62,;6.77,3.85,;6.77,2.31,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,)|
CCCCNc1ncc(-c2csc(C)n2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;2.82,-1.54,;4.15,-.77,;5.61,-1.25,;6.52,,;5.61,1.25,;6.38,2.58,;4.15,.77,;1.48,-.77,;1.48,.77,;.15,1.54,;-1.18,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,3.85,;.15,3.08,;.15,-1.54,)|
CCCCNc1ncc(-c2nc(CO)cs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:18.18,wD:21.22,(-7.01,-3.85,;-5.68,-3.08,;-4.34,-3.85,;-3.01,-3.08,;-1.68,-3.85,;-.34,-3.08,;.99,-3.85,;2.33,-3.08,;2.33,-1.54,;3.66,-.77,;3.66,.77,;5.12,1.25,;5.52,2.73,;7.01,3.13,;6.03,,;5.12,-1.25,;.99,-.77,;.99,.77,;-.34,1.54,;-1.68,.77,;-3.01,1.54,;-3.01,3.08,;-4.34,3.85,;-1.68,3.85,;-.34,3.08,;-.34,-1.54,)|
CCCCNc1ncc(-c2nc(cs2)C(F)(F)F)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-7.12,-3.88,;-5.79,-3.11,;-4.45,-3.88,;-3.12,-3.11,;-1.78,-3.88,;-.45,-3.11,;.88,-3.88,;2.22,-3.11,;2.22,-1.57,;3.55,-.8,;3.55,.74,;5.08,1.28,;5.92,-.03,;5.02,-1.28,;5.58,2.74,;6.07,4.2,;4.12,3.24,;7.03,2.24,;.88,-.8,;.88,.74,;-.45,1.51,;-1.78,.74,;-3.12,1.51,;-3.12,3.05,;-4.45,3.82,;-1.78,3.82,;-.45,3.05,;-.45,-1.57,)|
CCCCNc1ncc(-c2nc(cs2)C(N)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:19.19,wD:22.23,(-7.01,-3.85,;-5.68,-3.08,;-4.34,-3.85,;-3.01,-3.08,;-1.68,-3.85,;-.34,-3.08,;.99,-3.85,;2.33,-3.08,;2.33,-1.54,;3.66,-.77,;3.66,.77,;5.12,1.25,;6.03,,;5.12,-1.25,;5.52,2.73,;7.01,3.13,;4.43,3.82,;.99,-.77,;.99,.77,;-.34,1.54,;-1.68,.77,;-3.01,1.54,;-3.01,3.08,;-4.34,3.85,;-1.68,3.85,;-.34,3.08,;-.34,-1.54,)|
CCCCNc1ncc(-c2nc(cs2)C(O)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:19.19,wD:22.23,(-7.01,-3.85,;-5.68,-3.08,;-4.34,-3.85,;-3.01,-3.08,;-1.68,-3.85,;-.34,-3.08,;.99,-3.85,;2.33,-3.08,;2.33,-1.54,;3.66,-.77,;3.66,.77,;5.12,1.25,;6.03,,;5.12,-1.25,;5.52,2.73,;7.01,3.13,;4.43,3.82,;.99,-.77,;.99,.77,;-.34,1.54,;-1.68,.77,;-3.01,1.54,;-3.01,3.08,;-4.34,3.85,;-1.68,3.85,;-.34,3.08,;-.34,-1.54,)|
CCCCNc1ncc(-c2ncc(C)s2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(-7.29,-3.85,;-5.96,-3.08,;-4.62,-3.85,;-3.29,-3.08,;-1.95,-3.85,;-.62,-3.08,;.71,-3.85,;2.05,-3.08,;2.05,-1.54,;3.38,-.77,;3.38,.77,;4.84,1.25,;5.75,,;7.29,,;4.84,-1.25,;.71,-.77,;.71,.77,;-.62,1.54,;-1.95,.77,;-3.29,1.54,;-3.29,3.08,;-4.62,3.85,;-1.95,3.85,;-.62,3.08,;-.62,-1.54,)|
CCCCNc1ncc(-c2ncc(CN3CCCC3)s2)c(NC2CC[C@H](O)CC2)n1 |r,wD:25.27,(-8.41,-3.85,;-7.07,-3.08,;-5.74,-3.85,;-4.41,-3.08,;-3.07,-3.85,;-1.74,-3.08,;-.4,-3.85,;.93,-3.08,;.93,-1.54,;2.26,-.77,;2.26,.77,;3.73,1.25,;4.63,,;6.17,,;6.94,-1.33,;8.41,-1.81,;8.41,-3.35,;6.94,-3.83,;6.04,-2.58,;3.73,-1.25,;-.4,-.77,;-.4,.77,;-1.74,1.54,;-3.07,.77,;-4.41,1.54,;-4.41,3.08,;-5.74,3.85,;-3.07,3.85,;-1.74,3.08,;-1.74,-1.54,)|
CCCCNc1ncc(-c2ncc(CN3CCN(C)CC3)s2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.25,wD:27.29,(-8.83,-3.11,;-7.5,-2.34,;-6.16,-3.11,;-4.83,-2.34,;-3.49,-3.11,;-2.16,-2.34,;-.83,-3.11,;.51,-2.34,;.51,-.8,;1.84,-.03,;1.84,1.51,;3.3,1.99,;4.21,.74,;5.75,.74,;6.52,-.59,;5.75,-1.92,;6.52,-3.26,;8.06,-3.26,;8.83,-4.59,;8.83,-1.92,;8.06,-.59,;3.3,-.5,;-.83,-.03,;-.83,1.51,;-2.16,2.28,;-3.49,1.51,;-4.83,2.28,;-4.83,3.82,;-6.16,4.59,;-3.49,4.59,;-2.16,3.82,;-2.16,-.8,)|
CCCCNc1ncc(-c2ncc(CO)s2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:18.18,wD:21.22,(-7.67,-3.85,;-6.34,-3.08,;-5.01,-3.85,;-3.67,-3.08,;-2.34,-3.85,;-1.01,-3.08,;.33,-3.85,;1.66,-3.08,;1.66,-1.54,;2.99,-.77,;2.99,.77,;4.46,1.25,;5.36,,;6.9,,;7.67,1.33,;4.46,-1.25,;.33,-.77,;.33,.77,;-1.01,1.54,;-2.34,.77,;-3.67,1.54,;-3.67,3.08,;-5.01,3.85,;-2.34,3.85,;-1.01,3.08,;-1.01,-1.54,)|
CCCCNc1ncc(-c2ncc(COCc3ccccc3)s2)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.30,(-9.98,-4.59,;-8.65,-3.82,;-7.32,-4.59,;-5.98,-3.82,;-4.65,-4.59,;-3.32,-3.82,;-1.98,-4.59,;-.65,-3.82,;-.65,-2.28,;.68,-1.51,;.68,.03,;2.15,.5,;3.05,-.74,;4.59,-.74,;5.36,.59,;6.9,.59,;7.67,1.93,;9.21,1.93,;9.98,3.26,;9.21,4.59,;7.67,4.59,;6.9,3.26,;2.15,-1.99,;-1.98,-1.51,;-1.98,.03,;-3.32,.8,;-4.65,.03,;-5.98,.8,;-5.98,2.34,;-7.32,3.11,;-4.65,3.11,;-3.32,2.34,;-3.32,-2.28,)|
CCCCNc1ncc(-c2ncc(s2)C(N)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:19.19,wD:22.23,(-7.67,-3.85,;-6.34,-3.08,;-5.01,-3.85,;-3.67,-3.08,;-2.34,-3.85,;-1.01,-3.08,;.33,-3.85,;1.66,-3.08,;1.66,-1.54,;2.99,-.77,;2.99,.77,;4.46,1.25,;5.36,,;4.46,-1.25,;6.9,,;7.67,-1.33,;7.67,1.33,;.33,-.77,;.33,.77,;-1.01,1.54,;-2.34,.77,;-3.67,1.54,;-3.67,3.08,;-5.01,3.85,;-2.34,3.85,;-1.01,3.08,;-1.01,-1.54,)|
CCCCNc1ncc(-c2ncc(s2)C(O)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:19.19,wD:22.23,(-7.67,-3.85,;-6.34,-3.08,;-5.01,-3.85,;-3.67,-3.08,;-2.34,-3.85,;-1.01,-3.08,;.33,-3.85,;1.66,-3.08,;1.66,-1.54,;2.99,-.77,;2.99,.77,;4.46,1.25,;5.36,,;4.46,-1.25,;6.9,,;7.67,1.33,;7.67,-1.33,;.33,-.77,;.33,.77,;-1.01,1.54,;-2.34,.77,;-3.67,1.54,;-3.67,3.08,;-5.01,3.85,;-2.34,3.85,;-1.01,3.08,;-1.01,-1.54,)|
CCCCNc1ncc(-c2nccs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:16.16,wD:19.20,(-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.61,1.25,;6.52,,;5.61,-1.25,;1.48,-.77,;1.48,.77,;.15,1.54,;-1.18,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,3.85,;.15,3.08,;.15,-1.54,)|
CCCCNc1ncc(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.29,(-8.77,-3.85,;-7.44,-3.08,;-6.1,-3.85,;-4.77,-3.08,;-3.44,-3.85,;-2.1,-3.08,;-.77,-3.85,;.56,-3.08,;.56,-1.54,;1.9,-.77,;1.9,.77,;3.23,-1.54,;4.56,-.77,;5.9,-1.54,;7.23,-.77,;8.77,-.77,;8,-2.1,;7.23,.77,;8.57,1.54,;5.9,1.54,;5.13,2.87,;6.67,2.87,;4.56,.77,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;-4.77,1.54,;-4.77,3.08,;-6.1,3.85,;-3.44,3.85,;-2.1,3.08,;-2.1,-1.54,)|
CCCCNc1ncc(C(=O)NC2CC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:20.21,(-7.44,-3.85,;-6.1,-3.08,;-4.77,-3.85,;-3.44,-3.08,;-2.1,-3.85,;-.77,-3.08,;.56,-3.85,;1.9,-3.08,;1.9,-1.54,;3.23,-.77,;3.23,.77,;4.56,-1.54,;5.9,-.77,;7.44,-.77,;6.67,.56,;.56,-.77,;.56,.77,;-.77,1.54,;-2.1,.77,;-3.44,1.54,;-3.44,3.08,;-4.77,3.85,;-2.1,3.85,;-.77,3.08,;-.77,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:21.22,(-7.61,-3.85,;-6.28,-3.08,;-4.94,-3.85,;-3.61,-3.08,;-2.28,-3.85,;-.94,-3.08,;.39,-3.85,;1.72,-3.08,;1.72,-1.54,;3.06,-.77,;3.06,.77,;4.39,-1.54,;5.73,-.77,;7.21,-1.17,;7.61,.32,;6.12,.72,;.39,-.77,;.39,.77,;-.94,1.54,;-2.28,.77,;-3.61,1.54,;-3.61,3.08,;-4.94,3.85,;-2.28,3.85,;-.94,3.08,;-.94,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:22.23,(-7.85,-3.85,;-6.52,-3.08,;-5.19,-3.85,;-3.85,-3.08,;-2.52,-3.85,;-1.18,-3.08,;.15,-3.85,;1.48,-3.08,;1.48,-1.54,;2.82,-.77,;2.82,.77,;4.15,-1.54,;5.48,-.77,;6.95,-1.25,;7.85,,;6.95,1.25,;5.48,.77,;.15,-.77,;.15,.77,;-1.18,1.54,;-2.52,.77,;-3.85,1.54,;-3.85,3.08,;-5.19,3.85,;-2.52,3.85,;-1.18,3.08,;-1.18,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(54.57,-35.57,;55.9,-34.8,;57.23,-35.58,;58.57,-34.81,;59.9,-35.58,;61.23,-34.81,;62.57,-35.58,;63.91,-34.81,;63.9,-33.26,;65.23,-32.48,;65.23,-30.94,;66.57,-33.25,;67.9,-32.47,;69.23,-33.24,;70.56,-32.47,;70.56,-30.93,;69.23,-30.16,;67.89,-30.94,;62.57,-32.49,;62.56,-30.95,;61.22,-30.19,;59.89,-30.97,;58.55,-30.19,;58.55,-28.65,;57.22,-27.88,;59.89,-27.88,;61.22,-28.65,;61.24,-33.26,)|
CCCCNc1ncc(C(=O)NC2CCCCCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:24.25,(-8.36,-3.85,;-7.02,-3.08,;-5.69,-3.85,;-4.35,-3.08,;-3.02,-3.85,;-1.69,-3.08,;-.35,-3.85,;.98,-3.08,;.98,-1.54,;2.31,-.77,;2.31,.77,;3.65,-1.54,;4.98,-.77,;6.19,-1.73,;7.69,-1.39,;8.36,,;7.69,1.39,;6.19,1.73,;4.98,.77,;-.35,-.77,;-.35,.77,;-1.69,1.54,;-3.02,.77,;-4.35,1.54,;-4.35,3.08,;-5.69,3.85,;-3.02,3.85,;-1.69,3.08,;-1.69,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(C)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;7.34,.77,;8.67,1.54,;6,1.54,;4.67,.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC2)C(C)C)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.27,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,;8,1.54,;9.34,.77,;8,3.08,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC2)C2CCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.26,wD:28.30,(-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;-.52,-1.54,;.82,-.77,;.82,.77,;2.15,-1.54,;3.48,-.77,;4.82,-1.54,;6.15,-.77,;6.15,.77,;4.82,1.54,;3.48,.77,;7.48,1.54,;8.95,1.06,;9.85,2.31,;8.95,3.56,;7.48,3.08,;-1.85,-.77,;-1.85,.77,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-5.85,3.08,;-7.19,3.85,;-4.52,3.85,;-3.19,3.08,;-3.19,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC2)C2CCN(C)CC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:30.32,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.67,.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC2)c2ncccn2)c(NC2CC[C@H](O)CC2)n1 |r,wD:29.31,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;.67,-.77,;.67,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC3CC3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.25,wD:27.29,(-10.11,-3.85,;-8.77,-3.08,;-7.44,-3.85,;-6.1,-3.08,;-4.77,-3.85,;-3.44,-3.08,;-2.1,-3.85,;-.77,-3.08,;-.77,-1.54,;.56,-.77,;.56,.77,;1.9,-1.54,;3.23,-.77,;4.56,-1.54,;5.9,-.77,;5.9,.77,;7.23,1.54,;8.57,.77,;9.34,-.56,;10.11,.77,;4.56,1.54,;3.23,.77,;-2.1,-.77,;-2.1,.77,;-3.44,1.54,;-4.77,.77,;-6.1,1.54,;-6.1,3.08,;-7.44,3.85,;-4.77,3.85,;-3.44,3.08,;-3.44,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC3CCCC3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-3.85,;-9.19,-3.08,;-7.85,-3.85,;-6.52,-3.08,;-5.19,-3.85,;-3.85,-3.08,;-2.52,-3.85,;-1.18,-3.08,;-1.18,-1.54,;.15,-.77,;.15,.77,;1.48,-1.54,;2.82,-.77,;4.15,-1.54,;5.48,-.77,;5.48,.77,;6.82,1.54,;8.15,.77,;8.15,-.77,;9.62,-1.25,;10.52,,;9.62,1.25,;4.15,1.54,;2.82,.77,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-6.52,1.54,;-6.52,3.08,;-7.85,3.85,;-5.19,3.85,;-3.85,3.08,;-3.85,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CC3CCCCC3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;4,1.54,;2.67,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CCCc3ccccc3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-12,-3.85,;-10.67,-3.08,;-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,-1.54,;12,-.77,;12,.77,;10.67,1.54,;2.67,1.54,;1.33,.77,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-8,3.08,;-9.34,3.85,;-6.67,3.85,;-5.33,3.08,;-5.33,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(CCc3ccccc3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;10,.77,;11.34,1.54,;11.34,3.08,;10,3.85,;8.67,3.08,;3.33,1.54,;2,.77,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(Cc3ccc(cc3)N3CCOCC3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:33.35,wD:36.39,(-12.67,-3.85,;-11.34,-3.08,;-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-2,-.77,;-2,.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;7.34,1.54,;10,-1.54,;10,-3.08,;11.34,-3.85,;12.67,-3.08,;12.67,-1.54,;11.34,-.77,;2,1.54,;.67,.77,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-7.34,3.85,;-6,3.08,;-6,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;4,1.54,;2.67,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCN(Cc3cccnc3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;10.67,.77,;10.67,-.77,;9.34,-1.54,;8,-.77,;4,1.54,;2.67,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)NC2CCOCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:23.24,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;8,-.77,;8,.77,;6.67,1.54,;5.33,.77,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,)|
CCCCNc1ncc(C(=O)NC2CN(C)C2)c(NC2CC[C@H](O)CC2)n1 |r,wD:22.23,(-8.28,-3.85,;-6.94,-3.08,;-5.61,-3.85,;-4.28,-3.08,;-2.94,-3.85,;-1.61,-3.08,;-.28,-3.85,;1.06,-3.08,;1.06,-1.54,;2.39,-.77,;2.39,.77,;3.72,-1.54,;5.06,-.77,;6.55,-1.17,;6.94,.32,;8.28,1.09,;5.46,.72,;-.28,-.77,;-.28,.77,;-1.61,1.54,;-2.94,.77,;-4.28,1.54,;-4.28,3.08,;-5.61,3.85,;-2.94,3.85,;-1.61,3.08,;-1.61,-1.54,)|
CCCCNc1ncc(C(=O)NCC(=O)N2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.23,wD:26.27,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;6.67,.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCN(C)CC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:25.26,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;8,-1.54,;6.67,-.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC2)C(C)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(-10,-3.08,;-8.67,-2.31,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;.67,,;.67,1.54,;2,-.77,;3.33,,;4.67,-.77,;4.67,-2.31,;6,-3.08,;7.34,-2.31,;7.34,-.77,;6,,;8.67,-3.08,;10,-2.31,;8.67,-4.62,;-2,,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-6,2.31,;-6,3.85,;-7.34,4.62,;-4.67,4.62,;-3.33,3.85,;-3.33,-.77,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC2)C(C)C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(-10,-3.08,;-8.67,-2.31,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;.67,,;.67,1.54,;2,-.77,;3.33,,;4.67,-.77,;4.67,-2.31,;6,-3.08,;7.34,-2.31,;7.34,-.77,;6,,;8.67,-3.08,;8.67,-4.62,;10,-2.31,;-2,,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-6,2.31,;-6,3.85,;-7.34,4.62,;-4.67,4.62,;-3.33,3.85,;-3.33,-.77,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC2)C2CCCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;4.15,-2.07,;5.48,-2.84,;6.82,-2.07,;6.82,-.53,;5.48,.24,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC2)C2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;4,-1.93,;5.33,-2.7,;6.67,-1.93,;6.67,-.39,;5.33,.38,;8,-2.69,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.69,;9.34,-1.93,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC2)c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;4,-1.93,;5.33,-2.7,;6.67,-1.93,;6.67,-.39,;5.33,.38,;8,-2.69,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.69,;9.34,-1.93,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCC2CCN(CC=C)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;10.67,-3.85,;6.67,-1.54,;5.33,-.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCNCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCC2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCCCCO)c(NC2CC[C@H](O)CC2)n1 |r,wD:22.22,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NCCCN2CCOCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.27,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;.67,-.77,;.67,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;10,-3.08,;10,-1.54,;8.67,-.77,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)NCCCN2CCOCC2)c(NCCCC)n1
CCCCNc1ncc(C(=O)NCCCOC)c(NC2CC[C@H](O)CC2)n1 |r,wD:22.22,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NCCc2ccc(F)cc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.27,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;.67,-.77,;.67,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;10,1.54,;7.34,1.54,;6,.77,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cc(OC)cc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:25.25,(9.9,-2.7,;8.57,-1.93,;7.23,-2.7,;5.9,-1.93,;4.57,-2.7,;3.23,-1.93,;1.9,-2.7,;.57,-1.93,;.57,-.39,;-.77,.38,;-.77,1.92,;-2.1,-.39,;-3.44,.38,;-4.77,-.39,;-6.1,.38,;-7.44,-.39,;-8.77,.38,;-10.1,-.39,;-7.44,-1.93,;-6.1,-2.7,;-6.1,-4.24,;-7.44,-5.01,;-4.77,-1.93,;1.9,.38,;1.9,1.92,;3.23,2.69,;4.57,1.92,;5.9,2.69,;5.9,4.23,;7.23,5,;4.57,5,;3.23,4.23,;3.23,-.39,)|
CCCCNc1ncc(C(=O)NCc2cc3ccccc3o2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.25,wD:27.29,(-9.71,-3.41,;-8.38,-2.64,;-7.04,-3.41,;-5.71,-2.64,;-4.37,-3.41,;-3.04,-2.64,;-1.71,-3.41,;-.37,-2.64,;-.37,-1.1,;.96,-.33,;.96,1.21,;2.29,-1.1,;3.63,-.33,;4.96,-1.1,;5.12,-2.63,;6.63,-2.95,;7.4,-4.29,;8.94,-4.29,;9.71,-2.95,;8.94,-1.62,;7.4,-1.62,;6.37,-.48,;-1.71,-.33,;-1.71,1.21,;-3.04,1.98,;-4.37,1.21,;-5.71,1.98,;-5.71,3.52,;-7.04,4.29,;-4.37,4.29,;-3.04,3.52,;-3.04,-1.1,)|
CCCCNc1ncc(C(=O)NCc2cc[nH]n2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;7.61,-1.06,;8.52,-2.31,;7.61,-3.56,;6.15,-3.08,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-12,-3.85,;-10.67,-3.08,;-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,;5.33,-1.54,;4,-.77,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-8,3.08,;-9.34,3.85,;-6.67,3.85,;-5.33,3.08,;-5.33,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:31.33,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;3.33,-3.08,;4.67,-3.85,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;10,-3.85,;11.34,-3.08,;11.34,-1.54,;10,-.77,;8.67,-1.54,;6,-1.54,;4.67,-.77,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-12.52,-3.85,;-11.19,-3.08,;-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-3.19,-1.54,;-1.85,-.77,;-1.85,.77,;-.52,-1.54,;.82,-.77,;2.15,-1.54,;2.15,-3.08,;3.48,-3.85,;4.82,-3.08,;6.15,-3.85,;7.48,-3.08,;7.48,-1.54,;8.95,-1.06,;9.85,-2.31,;8.95,-3.56,;4.82,-1.54,;3.48,-.77,;-4.52,-.77,;-4.52,.77,;-5.85,1.54,;-7.19,.77,;-8.52,1.54,;-8.52,3.08,;-9.85,3.85,;-7.19,3.85,;-5.85,3.08,;-5.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(NC(=O)CC)nc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.26,wD:29.30,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;10,-3.85,;11.34,-3.08,;4.67,-3.85,;3.33,-3.08,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccc(OC)cc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:25.25,(7.21,3.99,;5.88,4.76,;4.55,3.99,;3.21,4.76,;1.88,3.99,;1.88,2.45,;3.21,1.68,;3.21,.14,;1.88,-.63,;1.88,-2.17,;3.21,-2.94,;.55,-2.94,;.55,-4.48,;-.79,-5.25,;-.79,-6.79,;-2.12,-7.56,;-3.46,-6.79,;-4.79,-7.56,;-4.79,-9.1,;-3.46,-5.25,;-2.12,-4.48,;-2.12,-2.94,;-.79,-2.17,;.55,.14,;-.79,-.63,;-2.12,.14,;-2.12,1.68,;-3.46,2.45,;-4.79,1.68,;-6.12,2.45,;-4.79,.14,;-3.46,-.63,;.55,1.68,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-c2ccccc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:30.32,(-10.67,-2.69,;-9.34,-1.93,;-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;,1.93,;1.33,-.38,;2.67,.38,;4,-.38,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;8,-2.69,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.69,;9.34,-1.93,;-2.67,.38,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.38,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;4.15,-2.07,;5.48,-2.84,;6.82,-2.07,;6.82,-.53,;5.48,.24,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cccn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;4.15,-2.07,;5.48,-2.84,;6.82,-2.07,;6.82,-.53,;5.48,.24,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(48.43,-9.69,;49.77,-8.92,;51.1,-9.69,;52.43,-8.92,;53.77,-9.69,;55.1,-8.93,;56.43,-9.7,;57.77,-8.92,;57.77,-7.37,;59.1,-6.6,;59.09,-5.06,;60.43,-7.36,;61.76,-6.59,;63.1,-7.35,;63.1,-8.89,;64.44,-9.66,;65.77,-8.88,;65.76,-7.33,;64.42,-6.58,;67.11,-9.64,;68.5,-9.01,;69.54,-10.15,;68.78,-11.49,;67.27,-11.18,;56.43,-6.61,;56.43,-5.07,;55.09,-4.3,;53.76,-5.08,;52.42,-4.31,;52.42,-2.77,;51.09,-2,;53.75,-2,;55.08,-2.77,;55.1,-7.38,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2-c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:32.34,wD:35.38,(-10.52,-1.25,;-9.19,-.48,;-7.85,-1.25,;-6.52,-.48,;-5.19,-1.25,;-3.85,-.48,;-2.52,-1.25,;-1.18,-.48,;-1.18,1.06,;.15,1.83,;.15,3.37,;1.48,1.06,;2.82,1.83,;4.15,1.06,;4.15,-.48,;5.48,-1.25,;6.82,-.48,;6.82,1.06,;5.48,1.83,;8.15,-1.25,;9.62,-.77,;10.52,-2.02,;9.62,-3.26,;8.15,-2.79,;7.06,-3.88,;5.57,-3.48,;4.49,-4.57,;4.88,-6.05,;6.37,-6.45,;7.46,-5.36,;-2.52,1.83,;-2.52,3.37,;-3.85,4.14,;-5.19,3.37,;-6.52,4.14,;-6.52,5.68,;-7.85,6.45,;-5.19,6.45,;-3.85,5.68,;-3.85,1.06,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.52,-2.69,;-9.19,-1.93,;-7.85,-2.69,;-6.52,-1.93,;-5.19,-2.69,;-3.85,-1.93,;-2.52,-2.69,;-1.18,-1.93,;-1.18,-.38,;.15,.38,;.15,1.93,;1.48,-.38,;2.82,.38,;4.15,-.38,;4.15,-1.93,;5.48,-2.69,;6.82,-1.93,;6.82,-.38,;5.48,.38,;8.15,-2.69,;9.62,-2.22,;10.52,-3.47,;9.62,-4.71,;8.15,-4.23,;6.82,-5,;-2.52,.38,;-2.52,1.93,;-3.85,2.69,;-5.19,1.93,;-6.52,2.69,;-6.52,4.23,;-7.85,5,;-5.19,5,;-3.85,4.23,;-3.85,-.38,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cnc(C)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-11.29,-2.84,;-9.96,-2.07,;-8.62,-2.84,;-7.29,-2.07,;-5.96,-2.84,;-4.62,-2.07,;-3.29,-2.84,;-1.95,-2.07,;-1.95,-.53,;-.62,.24,;-.62,1.78,;.71,-.53,;2.05,.24,;3.38,-.53,;3.38,-2.07,;4.71,-2.84,;6.05,-2.07,;6.05,-.53,;4.71,.24,;7.38,-2.84,;7.38,-4.38,;8.85,-4.86,;9.75,-3.61,;11.29,-3.61,;8.85,-2.37,;-3.29,.24,;-3.29,1.78,;-4.62,2.55,;-5.96,1.78,;-7.29,2.55,;-7.29,4.09,;-8.62,4.86,;-5.96,4.86,;-4.62,4.09,;-4.62,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cnc(CO)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(-13.01,-2.8,;-11.68,-2.03,;-10.34,-2.8,;-9.01,-2.03,;-7.67,-2.8,;-6.34,-2.03,;-5.01,-2.8,;-3.67,-2.03,;-3.67,-.49,;-2.34,.28,;-2.34,1.82,;-1.01,-.49,;.33,.28,;1.66,-.49,;1.66,-2.03,;2.99,-2.8,;4.33,-2.03,;4.33,-.49,;2.99,.28,;5.66,-2.8,;5.66,-4.34,;7.13,-4.81,;8.03,-3.57,;9.57,-3.57,;10.34,-4.9,;7.13,-2.32,;-5.01,.28,;-5.01,1.82,;-6.34,2.59,;-7.67,1.82,;-9.01,2.59,;-9.01,4.13,;-10.34,4.9,;-7.67,4.9,;-6.34,4.13,;-6.34,-.49,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cnc(c2)-c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:32.34,wD:35.38,(-12.83,-2.8,;-11.5,-2.03,;-10.16,-2.8,;-8.83,-2.03,;-7.5,-2.8,;-6.16,-2.03,;-4.83,-2.8,;-3.5,-2.03,;-3.5,-.49,;-2.16,.28,;-2.16,1.82,;-.83,-.49,;.51,.28,;1.84,-.49,;1.84,-2.03,;3.17,-2.8,;4.51,-2.03,;4.51,-.49,;3.17,.28,;5.84,-2.8,;5.84,-4.34,;7.31,-4.81,;8.21,-3.57,;7.31,-2.32,;9.75,-3.57,;10.52,-4.9,;12.06,-4.9,;12.83,-3.57,;12.06,-2.23,;10.52,-2.23,;-4.83,.28,;-4.83,1.82,;-6.16,2.59,;-7.5,1.82,;-8.83,2.59,;-8.83,4.13,;-10.16,4.9,;-7.5,4.9,;-6.16,4.13,;-6.16,-.49,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2cnc(c2)C(F)(F)F)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:30.31,wD:33.35,(-12.45,-1.51,;-11.12,-.74,;-9.79,-1.51,;-8.45,-.74,;-7.12,-1.51,;-5.79,-.74,;-4.45,-1.51,;-3.12,-.74,;-3.12,.8,;-1.78,1.57,;-1.78,3.11,;-.45,.8,;.88,1.57,;2.22,.8,;2.22,-.74,;3.55,-1.51,;4.88,-.74,;4.88,.8,;3.55,1.57,;6.22,-1.51,;7.68,-1.03,;8.59,-2.28,;7.7,-3.56,;6.22,-3.05,;8.17,-5.03,;8.65,-6.49,;6.71,-5.5,;9.64,-4.55,;-4.45,1.57,;-4.45,3.11,;-5.79,3.88,;-7.12,3.11,;-8.45,3.88,;-8.45,5.42,;-9.79,6.19,;-7.12,6.19,;-5.79,5.42,;-5.79,.8,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)C(F)(F)F)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.29,(-10,-3.18,;-8.67,-2.41,;-7.34,-3.18,;-6,-2.41,;-4.67,-3.18,;-3.33,-2.41,;-2,-3.18,;-.67,-2.41,;-.67,-.87,;.67,-.1,;.67,1.44,;2,-.87,;3.33,-.1,;4.67,-.87,;4.67,-2.41,;6,-3.18,;7.38,-2.44,;7.34,-.87,;6,-.1,;8.72,-3.21,;10.05,-3.98,;7.95,-4.54,;9.49,-1.88,;-2,-.1,;-2,1.44,;-3.33,2.21,;-4.67,1.44,;-6,2.21,;-6,3.75,;-7.34,4.52,;-4.67,4.52,;-3.33,3.75,;-3.33,-.87,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)N(C)C)c(NC2CC[C@H](O)CC2)n1 |r,wD:27.28,(-10,-3.08,;-8.67,-2.31,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;.67,,;.67,1.54,;2,-.77,;3.33,,;4.67,-.77,;4.67,-2.31,;6,-3.08,;7.34,-2.31,;7.34,-.77,;6,,;8.67,-3.08,;10,-2.31,;8.67,-4.62,;-2,,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-6,2.31,;-6,3.85,;-7.34,4.62,;-4.67,4.62,;-3.33,3.85,;-3.33,-.77,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)N2CCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;4.15,-2.07,;5.48,-2.84,;6.82,-2.07,;6.82,-.53,;5.48,.24,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(cc2)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.69,;-9.34,-1.93,;-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;-1.33,-.38,;,.38,;,1.93,;1.33,-.38,;2.67,.38,;4,-.38,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;8,-2.69,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.69,;9.34,-1.93,;-2.67,.38,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.38,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2c(C)noc2C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(-10.52,-2.7,;-9.19,-1.93,;-7.85,-2.7,;-6.52,-1.93,;-5.19,-2.7,;-3.85,-1.93,;-2.52,-2.7,;-1.18,-1.93,;-1.18,-.39,;.15,.38,;.15,1.92,;1.48,-.39,;2.82,.38,;4.15,-.39,;5.48,.38,;6.82,-.39,;6.82,-1.93,;5.48,-2.7,;4.15,-1.93,;8.15,-2.7,;9.62,-2.22,;10.01,-.73,;10.52,-3.47,;9.62,-4.71,;8.15,-4.23,;6.82,-5,;-2.52,.38,;-2.52,1.92,;-3.85,2.69,;-5.19,1.92,;-6.52,2.69,;-6.52,4.23,;-7.85,5,;-5.19,5,;-3.85,4.23,;-3.85,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-12,-2.7,;-10.67,-1.93,;-9.34,-2.7,;-8,-1.93,;-6.67,-2.7,;-5.33,-1.93,;-4,-2.7,;-2.67,-1.93,;-2.67,-.39,;-1.33,.38,;-1.33,1.92,;,-.39,;1.33,.38,;2.67,-.39,;4,.38,;5.33,-.39,;5.33,-1.93,;4,-2.7,;2.67,-1.93,;6.67,-2.7,;6.67,-4.23,;8,-5,;9.38,-4.26,;10.72,-5.03,;10.72,-6.57,;9.34,-2.7,;8,-1.93,;-4,.38,;-4,1.92,;-5.33,2.69,;-6.67,1.92,;-8,2.69,;-8,4.23,;-9.34,5,;-6.67,5,;-5.33,4.23,;-5.33,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccc(cc2)C#N)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-12,-2.31,;-10.67,-1.54,;-9.34,-2.31,;-8,-1.54,;-6.67,-2.31,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;-1.33,2.31,;;1.33,.77,;2.67,,;4,.77,;5.33,,;5.33,-1.54,;4,-2.31,;2.67,-1.54,;6.67,-2.31,;6.67,-3.85,;8,-4.62,;9.38,-3.88,;9.34,-2.31,;8,-1.54,;10.72,-4.65,;12.05,-5.42,;-4,.77,;-4,2.31,;-5.33,3.08,;-6.67,2.31,;-8,3.08,;-8,4.62,;-9.34,5.39,;-6.67,5.39,;-5.33,4.62,;-5.33,,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccc3ccccc3c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:31.33,wD:34.37,(-12,-2.69,;-10.67,-1.93,;-9.34,-2.69,;-8,-1.93,;-6.67,-2.69,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-2.67,-.38,;-1.33,.38,;-1.33,1.93,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.38,;5.33,-1.93,;4,-2.69,;2.67,-1.93,;6.67,-2.69,;6.67,-4.23,;8,-5,;9.34,-4.23,;10.67,-5,;12,-4.23,;12,-2.69,;10.67,-1.93,;9.34,-2.69,;8,-1.93,;-4,.38,;-4,1.93,;-5.33,2.69,;-6.67,1.93,;-8,2.69,;-8,4.23,;-9.34,5,;-6.67,5,;-5.33,4.23,;-5.33,-.38,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2cccc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-11.34,-2.7,;-10,-1.93,;-8.67,-2.7,;-7.34,-1.93,;-6,-2.7,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-2,-.39,;-.67,.38,;-.67,1.92,;.67,-.39,;2,.38,;3.33,-.39,;4.67,.38,;6,-.39,;6,-1.93,;4.67,-2.7,;3.33,-1.93,;7.34,-2.7,;7.34,-4.23,;8.67,-5,;10,-4.23,;10.05,-2.67,;11.38,-1.9,;12.72,-2.67,;8.67,-1.93,;-3.33,.38,;-3.33,1.92,;-4.67,2.69,;-6,1.92,;-7.34,2.69,;-7.34,4.23,;-8.67,5,;-6,5,;-4.67,4.23,;-4.67,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;8,-2.7,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.7,;9.34,-1.93,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccccc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;8,-2.7,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.7,;9.34,-1.87,;9.34,-.33,;8,.44,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2cccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;8,-2.7,;9.34,-1.93,;10.67,-2.7,;10.67,-4.23,;9.34,-5,;8,-4.23,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2ccco2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;5.48,.24,;6.82,-.53,;6.82,-2.07,;5.48,-2.84,;4.15,-2.07,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2cccs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;5.48,.24,;6.82,-.53,;6.82,-2.07,;5.48,-2.84,;4.15,-2.07,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-c2cncnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;8,-2.7,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.7,;9.34,-1.93,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)-n2cccn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-2.84,;-9.19,-2.07,;-7.85,-2.84,;-6.52,-2.07,;-5.19,-2.84,;-3.85,-2.07,;-2.52,-2.84,;-1.18,-2.07,;-1.18,-.53,;.15,.24,;.15,1.78,;1.48,-.53,;2.82,.24,;4.15,-.53,;5.48,.24,;6.82,-.53,;6.82,-2.07,;5.48,-2.84,;4.15,-2.07,;8.15,-2.84,;8.15,-4.38,;9.62,-4.86,;10.52,-3.61,;9.62,-2.37,;-2.52,.24,;-2.52,1.78,;-3.85,2.55,;-5.19,1.78,;-6.52,2.55,;-6.52,4.09,;-7.85,4.86,;-5.19,4.86,;-3.85,4.09,;-3.85,-.53,)|
CCCCNc1ncc(C(=O)NCc2ccc(nc2)C2=CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,t:20,(-10.67,-2.7,;-9.34,-1.93,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;-1.33,-.39,;,.38,;,1.92,;1.33,-.39,;2.67,.38,;4,-.39,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;8,-2.7,;8,-4.23,;9.34,-5,;10.67,-4.23,;10.67,-2.7,;9.34,-1.93,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;-4,4.23,;-4,-.39,)|
CCCCNc1ncc(C(=O)NCc2ccc3ccccc3n2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.26,wD:28.30,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;.67,-.77,;.67,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;8.67,-3.85,;10,-3.08,;10,-1.54,;8.67,-.77,;7.34,-1.54,;6,-.77,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cccc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.23,wD:26.27,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;8.05,-1.51,;9.38,-.74,;9.38,.8,;6.67,-.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cccc(c2)N2CCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-10.52,-3.85,;-9.19,-3.08,;-7.85,-3.85,;-6.52,-3.08,;-5.19,-3.85,;-3.85,-3.08,;-2.52,-3.85,;-1.18,-3.08,;-1.18,-1.54,;.15,-.77,;.15,.77,;1.48,-1.54,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;5.48,-.77,;8.15,-.77,;9.62,-1.25,;10.52,,;9.62,1.25,;8.15,.77,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-6.52,1.54,;-6.52,3.08,;-7.85,3.85,;-5.19,3.85,;-3.85,3.08,;-3.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cccc3ccccc23)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.26,wD:28.30,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;6.67,.77,;6.67,-.77,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(NC2CC[C@H](O)CC2)n1 |r,wD:28.29,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;4.67,-3.85,;3.33,-3.08,;4.67,-5.39,;6,-4.62,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccccn2)c(NC2CC[C@H](O)CC2)n1 |r,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cccnc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;6,-3.08,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccco2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;6.15,-3.08,;7.61,-3.56,;8.52,-2.31,;7.61,-1.06,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cccs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;6.15,-3.08,;7.61,-3.56,;8.52,-2.31,;7.61,-1.06,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccncc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCc2ccon2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;7.61,-1.06,;8.52,-2.31,;7.61,-3.56,;6.15,-3.08,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cncnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;2,-.77,;2,.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,)|
CCCCNc1ncc(C(=O)NCc2cncs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;6.15,-3.08,;7.61,-3.56,;8.52,-2.31,;7.61,-1.06,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)NCc2nccs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;2.15,.77,;3.48,-1.54,;4.82,-.77,;6.15,-1.54,;6.15,-3.08,;7.61,-3.56,;8.52,-2.31,;7.61,-1.06,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,)|
CCCCNc1ncc(C(=O)Nc2cc(OC)ccc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:24.24,(9.42,-4.57,;8.09,-3.8,;6.75,-4.57,;5.42,-3.8,;4.08,-4.57,;2.75,-3.8,;1.42,-4.57,;.08,-3.8,;.08,-2.26,;-1.25,-1.49,;-2.58,-2.26,;-1.25,.05,;-2.58,.82,;-2.58,2.36,;-3.92,3.13,;-3.92,4.67,;-5.25,5.44,;-5.25,2.36,;-5.25,.82,;-3.92,.05,;-3.92,-1.49,;-5.25,-2.26,;1.42,-1.49,;1.42,.05,;2.75,.82,;4.08,.05,;5.42,.82,;5.42,2.36,;6.75,3.13,;4.08,3.13,;2.75,2.36,;2.75,-2.26,)|
CCCCNc1ncc(C(=O)Nc2ccc(C)cc2C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.26,wD:22.22,(8.49,-3.85,;7.16,-3.08,;5.82,-3.85,;4.49,-3.08,;3.16,-3.85,;1.82,-3.08,;.49,-3.85,;-.84,-3.08,;-.84,-1.54,;-2.18,-.77,;-2.18,.77,;-3.51,-1.54,;-4.85,-.77,;-4.85,.77,;-6.18,1.54,;-7.51,.77,;-8.85,1.54,;-7.51,-.77,;-6.18,-1.54,;-6.18,-3.08,;.49,-.77,;.49,.77,;1.82,1.54,;3.16,.77,;4.49,1.54,;4.49,3.08,;5.82,3.85,;3.16,3.85,;1.82,3.08,;1.82,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CCCC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;10.67,.77,;4,1.54,;2.67,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(-12,-3.85,;-10.67,-3.08,;-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;10.67,1.54,;10.67,3.08,;12,3.85,;9.34,3.85,;8,3.08,;2.67,1.54,;1.33,.77,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-8,3.08,;-9.34,3.85,;-6.67,3.85,;-5.33,3.08,;-5.33,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;10,.77,;11.34,1.54,;11.34,3.08,;10,3.85,;8.67,3.08,;3.33,1.54,;2,.77,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CCO)cc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:26.27,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;.67,-.77,;.67,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;4.67,1.54,;3.33,.77,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-.67,-.77,;-.67,.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;10,.77,;8.67,1.54,;3.33,1.54,;2,.77,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(NC2CC[C@H](O)CC2)n1 |r,wD:30.32,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;4,1.54,;2.67,.77,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)C(F)(F)F)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(1.92,-47.36,;3.25,-46.59,;4.59,-47.36,;5.92,-46.59,;7.26,-47.36,;8.59,-46.59,;9.92,-47.36,;11.26,-46.59,;11.26,-45.04,;12.59,-44.27,;12.58,-42.73,;13.92,-45.03,;15.25,-44.26,;16.59,-45.03,;17.92,-44.26,;17.91,-42.71,;16.57,-41.95,;15.24,-42.73,;19.24,-41.94,;20.58,-42.7,;19.23,-40.4,;20.57,-41.15,;9.92,-44.28,;9.92,-42.74,;8.58,-41.97,;7.25,-42.75,;5.91,-41.98,;5.91,-40.44,;4.57,-39.67,;7.24,-39.67,;8.57,-40.43,;8.59,-45.05,)|
CCCCNc1ncc(C(=O)Nc2ccc(cc2)N2CCOCC2)c(NC2CC[C@H](O)CC2)n1 |r,wD:29.31,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;.67,-.77,;.67,.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,)|
CCCCNc1ncc(C(=O)Nc2cccc(OC)c2)c(NC2CC[C@H](O)CC2)n1 |r,wD:25.26,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.72,-.8,;8.05,-1.57,;9.38,-.8,;5.33,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,)|
CCCCNc1ncc(C(=O)Nc2ccccc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(54.22,-47.24,;55.55,-46.47,;56.88,-47.24,;58.22,-46.47,;59.55,-47.24,;60.88,-46.47,;62.22,-47.25,;63.56,-46.47,;63.55,-44.92,;64.88,-44.15,;64.88,-42.61,;66.22,-44.91,;67.55,-44.14,;67.54,-42.61,;68.86,-41.83,;70.21,-42.59,;70.21,-44.14,;68.88,-44.91,;68.88,-46.45,;70.22,-47.22,;62.22,-44.16,;62.21,-42.62,;60.87,-41.85,;59.54,-42.63,;58.2,-41.86,;58.2,-40.32,;56.87,-39.55,;59.54,-39.55,;60.87,-40.32,;60.89,-44.93,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CC(C)NC(C)C2)cn1 |(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;8.67,-.77,;7.34,-1.54,;7.34,-3.08,;6,-.77,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CCNCC2(C)C)cn1 |(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;8,-1.54,;6.67,-.77,;6.67,-2.31,;5.33,-1.54,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CCNC[C@@H]2C)cn1 |r,wU:29.32,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;8,3.08,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CCN[C@@H](C)C2)cn1 |r,wD:28.30,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;10,1.54,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CCN[C@H](C)C2)cn1 |r,wU:28.30,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;10,1.54,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CC[C@H](C2)N(C)C)cn1 |r,wD:27.31,(-10.34,-3.85,;-9.01,-3.08,;-7.67,-3.85,;-6.34,-3.08,;-5.01,-3.85,;-3.67,-3.08,;-2.34,-3.85,;-1.01,-3.08,;-1.01,-1.54,;-2.34,-.77,;-2.34,.77,;-3.67,1.54,;-3.67,3.08,;-5.01,3.85,;-6.34,3.08,;-7.67,3.85,;-6.34,1.54,;-5.01,.77,;-3.67,-1.54,;.33,-.77,;1.66,-1.54,;2.99,-.77,;2.99,.77,;4.33,1.54,;5.66,.77,;5.66,-.77,;7.13,-1.25,;8.03,,;7.13,1.25,;9.57,,;10.34,1.33,;10.34,-1.33,;1.66,1.54,;.33,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2C[C@@H]3C[C@H]2CN3)cn1 |r,wD:28.29,26.28,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;8.16,-.37,;6.67,-.77,;8,-1.54,;9.34,-.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2C[C@H](C)NC[C@H]2C)cn1 |r,wU:30.33,wD:26.28,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;8.67,-.77,;7.34,-1.54,;6,-.77,;4.67,-1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CC1)N1CCOCC1 |(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;6.1,2.87,;4.56,2.87,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCC1)N1CCN(C)CC1 |(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;2,1.54,;.67,.77,;4.67,1.54,;5.76,2.63,;4.67,3.72,;3.58,2.63,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCC1)N1CCOCC1 |(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;6.42,2.63,;5.33,3.72,;4.25,2.63,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,)|
CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCCC1)N1CCOCC1 |(-9.34,-3.88,;-8,-3.11,;-6.67,-3.88,;-5.33,-3.11,;-4,-3.88,;-2.67,-3.11,;-1.33,-3.88,;,-3.11,;,-1.57,;-1.33,-.8,;-1.33,.74,;-2.67,1.51,;-2.67,3.05,;-4,3.82,;-5.33,3.05,;-6.67,3.82,;-5.33,1.51,;-4,.74,;-2.67,-1.57,;1.33,-.8,;2.67,-1.57,;4,-.8,;4,.74,;2.67,1.51,;1.33,.74,;5.33,1.51,;6.58,2.42,;6.1,3.88,;4.56,3.88,;4.09,2.42,;6.67,.74,;6.67,-.8,;8,-1.57,;9.34,-.8,;9.34,.74,;8,1.51,)|
CCCCNc1ncc(c(NC2CCCCC2)n1)-c1ccccn1
CCCCNc1ncc(c(NC2CCNCC2)n1)-c1ccccn1
CCCCNc1ncc(c(NC2CC[C@H](CN)CC2)n1)-c1ccccn1 |r,wD:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-1.33,3.85,;,3.08,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)C2)n1)-c1ccccn1 |r|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;8.67,,;4.67,.77,;3.33,1.54,;2,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;4.67,.77,;3.33,1.54,;2,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC2CC2)ncn1 |r,wD:14.14,(-8.77,-3.85,;-7.44,-3.08,;-6.1,-3.85,;-4.77,-3.08,;-3.44,-3.85,;-2.1,-3.08,;-.77,-3.85,;.56,-3.08,;.56,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;-4.77,1.54,;-4.77,3.08,;-6.1,3.85,;-3.44,3.85,;-2.1,3.08,;-2.1,-1.54,;1.9,-.77,;3.23,-1.54,;4.56,-.77,;5.9,-1.54,;7.23,-.77,;8.77,-.77,;8,.56,;4.56,.77,;3.23,1.54,;1.9,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC2CCCC2)ncn1 |r,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;5.48,-1.54,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;6.82,.77,;4.15,.77,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC2CCCCC2)ncn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;6.67,.77,;4,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NCCC)ncn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;4,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCCC1 |r,wD:14.14,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;3.48,1.54,;2.15,.77,;6.15,-1.54,;6.15,-3.08,;7.61,-3.56,;8.52,-2.31,;7.61,-1.06,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCCCC1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCN(C)CC1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;8,-1.54,;6.67,-.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(ncn1)N1CCOCC1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;6,-1.54,;6,-3.08,;7.34,-3.85,;8.67,-3.08,;8.67,-1.54,;7.34,-.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CCCN2CCN(C)CC2)cn1 |r,wD:14.14,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,;-.67,-.77,;.67,-1.54,;2,-.77,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;10,-.77,;11.34,-1.54,;10,.77,;8.67,1.54,;.67,1.54,;-.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CCN2CCN(C)CC2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN(C)C)cn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;7.34,-.77,;3.33,1.54,;2,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCC(F)(F)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;10,,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCCC2)cn1 |r,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCCN(C)CC2)cn1 |r,wD:14.14,(-10.43,-3.85,;-9.1,-3.08,;-7.77,-3.85,;-6.43,-3.08,;-5.1,-3.85,;-3.76,-3.08,;-2.43,-3.85,;-1.1,-3.08,;-1.1,-1.54,;-2.43,-.77,;-2.43,.77,;-3.76,1.54,;-5.1,.77,;-6.43,1.54,;-6.43,3.08,;-7.77,3.85,;-5.1,3.85,;-3.76,3.08,;-3.76,-1.54,;.24,-.77,;1.57,-1.54,;2.9,-.77,;2.9,.77,;4.24,1.54,;5.57,.77,;5.57,-.77,;6.78,-1.73,;8.28,-1.39,;8.95,,;10.43,.4,;8.28,1.39,;6.78,1.73,;1.57,1.54,;.24,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCOCC2)cn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC2)cn1 |r,wD:14.14,(-9.44,-3.85,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,;-4.1,-3.85,;-2.77,-3.08,;-1.44,-3.85,;-.1,-3.08,;-.1,-1.54,;-1.44,-.77,;-1.44,.77,;-2.77,1.54,;-4.1,.77,;-5.44,1.54,;-5.44,3.08,;-6.77,3.85,;-4.1,3.85,;-2.77,3.08,;-2.77,-1.54,;1.23,-.77,;2.56,-1.54,;3.9,-.77,;3.9,.77,;5.23,1.54,;6.57,.77,;7.9,1.54,;9.44,1.54,;8.67,2.87,;2.56,1.54,;1.23,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCC2)cn1 |r,wD:14.14,(-9.61,-3.85,;-8.28,-3.08,;-6.94,-3.85,;-5.61,-3.08,;-4.28,-3.85,;-2.94,-3.08,;-1.61,-3.85,;-.28,-3.08,;-.28,-1.54,;-1.61,-.77,;-1.61,.77,;-2.94,1.54,;-4.28,.77,;-5.61,1.54,;-5.61,3.08,;-6.94,3.85,;-4.28,3.85,;-2.94,3.08,;-2.94,-1.54,;1.06,-.77,;2.39,-1.54,;3.72,-.77,;3.72,.77,;5.06,1.54,;6.39,.77,;7.73,1.54,;9.21,1.14,;9.61,2.63,;8.12,3.03,;2.39,1.54,;1.06,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCC2)cn1 |r,wD:14.14,(-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;-.52,-1.54,;-1.85,-.77,;-1.85,.77,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-5.85,3.08,;-7.19,3.85,;-4.52,3.85,;-3.19,3.08,;-3.19,-1.54,;.82,-.77,;2.15,-1.54,;3.48,-.77,;3.48,.77,;4.82,1.54,;6.15,.77,;7.48,1.54,;8.95,1.06,;9.85,2.31,;8.95,3.56,;7.48,3.08,;2.15,1.54,;.82,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCCC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCC)cn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;2.67,1.54,;1.33,.77,)|
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CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCCO)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCc2ccccc2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCc2ccncc2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(Cl)cn1 |r,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)C2CC2)cn1 |r,wD:14.14,(-9.44,-3.85,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,;-4.1,-3.85,;-2.77,-3.08,;-1.44,-3.85,;-.1,-3.08,;-.1,-1.54,;-1.44,-.77,;-1.44,.77,;-2.77,1.54,;-4.1,.77,;-5.44,1.54,;-5.44,3.08,;-6.77,3.85,;-4.1,3.85,;-2.77,3.08,;-2.77,-1.54,;1.23,-.77,;2.56,-1.54,;3.9,-.77,;3.9,.77,;5.23,1.54,;6.57,.77,;6.57,-.77,;7.9,1.54,;9.44,1.54,;8.67,2.87,;2.56,1.54,;1.23,.77,)|
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CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)c2ccccc2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;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,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(NC(C)=O)cn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;7.34,-.77,;3.33,1.54,;2,.77,)|
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CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)N(C)C1CCN(C)CC1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;4,1.54,;4,3.08,;5.33,.77,;5.33,-.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)N1CCN(C)CC1 |r,wU:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;2,1.54,;.67,.77,;4.67,1.54,;4.67,3.08,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,)|
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CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)N1CCN(C)CC1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;9.34,3.85,;6.67,3.85,;5.33,3.08,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc2ccccc2n1 |r,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;7.34,3.08,;6,3.85,;4.67,3.08,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cccc(CN2CCN(C)CC2)n1 |r,wD:14.14,(-8.67,-5,;-7.34,-4.23,;-6,-5,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-.67,-5,;.67,-4.23,;.67,-2.69,;-.67,-1.93,;-.67,-.38,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,2.69,;-3.33,2.69,;-2,1.93,;-2,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;7.34,4.23,;8.67,5,;6,5,;4.67,4.23,;2,-.38,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cccc(CN2CCOCC2)n1 |r,wD:14.14,(-8,-5,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.67,-5,;-1.33,-4.23,;,-5,;1.33,-4.23,;1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,2.69,;-2.67,2.69,;-1.33,1.93,;-1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;5.33,-.38,;4,.38,;4,1.93,;5.33,2.69,;6.67,1.93,;8,2.69,;8,4.23,;6.67,5,;5.33,4.23,;2.67,-.38,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cccc(CNC2CC2)n1 |r,wD:14.14,(-7.05,-5.29,;-5.72,-4.52,;-4.39,-5.29,;-3.05,-4.52,;-1.72,-5.29,;-.38,-4.52,;.95,-5.29,;2.28,-4.52,;2.28,-2.98,;.95,-2.21,;.95,-.67,;-.38,.1,;-1.72,-.67,;-3.05,.1,;-3.05,1.64,;-4.39,2.41,;-1.72,2.41,;-.38,1.64,;-.38,-2.98,;3.62,-2.21,;4.95,-2.98,;6.28,-2.21,;6.28,-.67,;4.95,.1,;4.95,1.64,;6.28,2.41,;6.28,3.95,;7.05,5.29,;5.51,5.29,;3.62,-.67,)|
CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cnccn1 |r,wD:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-1.33,3.85,;,3.08,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,)|
CCCCNc1ncc(c(NCC2CCNCC2)n1)-c1ccccn1
CCCCNc1ncc(c(NCC2CC[C@H](N)CC2)n1)-c1ccc(F)cn1 |r,wD:15.15,(-7.34,-5.78,;-6,-5,;-4.67,-5.78,;-3.33,-5,;-2,-5.78,;-.67,-5,;.67,-5.78,;2,-5,;2,-3.47,;.67,-2.69,;.67,-1.15,;-.67,-.38,;-.67,1.15,;-2,1.93,;-2,3.47,;-.67,4.23,;-.67,5.78,;.67,3.47,;.67,1.93,;-.67,-3.47,;3.33,-2.69,;4.67,-3.46,;6,-2.69,;6,-1.15,;7.34,-.38,;4.67,-.38,;3.33,-1.15,)|
CCCCNc1ncc(c(NCC2CC[C@H](N)CC2)n1)-c1ccccn1 |r,wD:15.15,(-6.67,-5.78,;-5.33,-5,;-4,-5.78,;-2.67,-5,;-1.33,-5.78,;,-5,;1.33,-5.78,;2.67,-5,;2.67,-3.47,;1.33,-2.69,;1.33,-1.15,;,-.38,;,1.15,;-1.33,1.93,;-1.33,3.47,;,4.23,;,5.78,;1.33,3.47,;1.33,1.93,;,-3.47,;4,-2.69,;5.33,-3.46,;6.67,-2.69,;6.67,-1.15,;5.33,-.38,;4,-1.15,)|
CCCCNc1ncc(c(NCCCCCO)n1)-c1ccccn1
CCCCNc1ncc(c(NCCCCO)n1)-c1ccccn1
CCCCNc1ncc(c(NCCCO)n1)-c1ccccn1
CCCCNc1ncc(c(NCCO)n1)-c1ccccn1
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Cl)c(CN2CCCC2)cn1 |r,wU:11.10,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;5.48,-1.54,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Cl)ccn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(N)ncn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(NC(=O)c2ccc(F)cc2)ncn1 |r,wU:11.10,wD:14.14,(-10.68,-3.85,;-9.34,-3.08,;-8.01,-3.85,;-6.67,-3.08,;-5.34,-3.85,;-4.01,-3.08,;-2.67,-3.85,;-1.34,-3.08,;-1.34,-1.54,;-2.67,-.77,;-2.67,.77,;-4.01,1.54,;-5.34,.77,;-6.67,1.54,;-6.67,3.08,;-8.01,3.85,;-5.34,3.85,;-4.01,3.08,;-4.01,-1.54,;-.01,-.73,;1.36,-1.45,;2.66,-.63,;4.01,-1.37,;5.34,-.6,;5.34,.94,;6.67,-1.37,;6.67,-2.91,;8.01,-3.68,;9.34,-2.91,;10.68,-3.68,;9.34,-1.37,;8.01,-.6,;2.66,.91,;1.36,1.63,;-.01,.8,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(NC)ncn1 |r,wU:11.10,wD:14.14,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;8,-.77,;5.33,.77,;4,1.54,;2.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(NC2CCCCCC2)ncn1 |r,wU:11.10,wD:14.14,(-9.69,-3.85,;-8.36,-3.08,;-7.02,-3.85,;-5.69,-3.08,;-4.35,-3.85,;-3.02,-3.08,;-1.69,-3.85,;-.35,-3.08,;-.35,-1.54,;-1.69,-.77,;-1.69,.77,;-3.02,1.54,;-4.35,.77,;-5.69,1.54,;-5.69,3.08,;-7.02,3.85,;-4.35,3.85,;-3.02,3.08,;-3.02,-1.54,;.98,-.77,;2.31,-1.54,;3.65,-.77,;4.98,-1.54,;6.32,-.77,;7.52,-1.73,;9.02,-1.39,;9.69,,;9.02,1.39,;7.52,1.73,;6.32,.77,;3.65,.77,;2.31,1.54,;.98,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(NCC)ncn1 |r,wU:11.10,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;4.67,.77,;3.33,1.54,;2,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2ccc(OC)cc2)ncn1 |r,wU:11.10,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;8.72,.8,;10.05,1.57,;11.38,.8,;8.67,-.77,;7.34,-1.54,;3.33,.77,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2cccc(OC)c2)ncn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8.05,-.8,;9.38,-1.57,;9.38,-3.11,;6.67,-1.54,;2.67,.77,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2cccc(c2)-c2ccccc2)ncn1 |r,wU:11.10,wD:14.14,(-11.34,-3.85,;-10,-3.08,;-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-7.34,1.54,;-7.34,3.08,;-8.67,3.85,;-6,3.85,;-4.67,3.08,;-4.67,-1.54,;-.67,-.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;6,-1.54,;8.67,-1.54,;8.67,-3.08,;10,-3.85,;11.34,-3.08,;11.34,-1.54,;10,-.77,;2,.77,;.67,1.54,;-.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2cccc(c2)C(C)(C)C)ncn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;6.67,-1.54,;9.34,-1.54,;9.34,-3.08,;10.67,-.77,;10.67,-2.31,;2.67,.77,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2cccc(c2)C(C)C)ncn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;6.67,-1.54,;9.34,-1.54,;9.34,-3.08,;10.67,-.77,;2.67,.77,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2cccc(c2)[N+]([O-])=O)ncn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;8.05,-.8,;6.67,-1.54,;9.38,-1.57,;10.72,-.8,;9.38,-3.11,;2.67,.77,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2ccccc2)ncn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;6.67,.77,;4,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(Nc2ccccc2OC)ncn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;8.03,-1.63,;8.05,-3.17,;9.39,-3.93,;4,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(O)c(CN2CCCC2)cn1 |r,wU:11.10,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;5.48,-1.54,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(OC)ncn1 |r,wU:11.10,wD:14.14,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;8,-.77,;5.33,.77,;4,1.54,;2.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(SC)nc(C)n1 |r,wU:11.10,wD:14.14,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;8,-.77,;5.33,.77,;4,1.54,;4,3.08,;2.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(C)nn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(C=C2CCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(C=C2CCN(CC2)C(C)C)cn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;5.33,-.77,;6.67,-1.54,;8,-.77,;8,.77,;6.67,1.54,;9.34,-1.54,;10.67,-.77,;9.34,-3.08,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(C=C2CCNCC2)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CC2CCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CC2CCN(CC2)C(C)C)cn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;5.33,-.77,;6.67,-1.54,;8,-.77,;8,.77,;6.67,1.54,;9.34,-1.54,;10.67,-.77,;9.34,-3.08,;1.33,1.54,;,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CC2CCNC2)cn1 |r,wU:11.10,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;8.28,1.25,;9.19,,;8.28,-1.25,;6.82,-.77,;2.82,1.54,;1.48,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CC2CCNCC2)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CCCN2CCCC2)cn1 |r,wU:11.10,wD:14.14,(-10.52,-3.85,;-9.19,-3.08,;-7.85,-3.85,;-6.52,-3.08,;-5.19,-3.85,;-3.85,-3.08,;-2.52,-3.85,;-1.18,-3.08,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-6.52,1.54,;-6.52,3.08,;-7.85,3.85,;-5.19,3.85,;-3.85,3.08,;-3.85,-1.54,;.15,-.77,;1.48,-1.54,;2.82,-.77,;2.82,.77,;4.15,1.54,;5.48,.77,;6.82,1.54,;8.15,.77,;8.15,-.77,;9.62,-1.25,;10.52,,;9.62,1.25,;1.48,1.54,;.15,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CCN(C)C)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;9.34,.77,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CCN2CCCC2)cn1 |r,wU:11.10,wD:14.14,(-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;-.52,-1.54,;-1.85,-.77,;-1.85,.77,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-5.85,3.08,;-7.19,3.85,;-4.52,3.85,;-3.19,3.08,;-3.19,-1.54,;.82,-.77,;2.15,-1.54,;3.48,-.77,;3.48,.77,;4.82,1.54,;6.15,.77,;7.48,1.54,;8.95,1.06,;9.85,2.31,;8.95,3.56,;7.48,3.08,;2.15,1.54,;.82,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CCN2CCCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(-11.13,-3.95,;-9.79,-3.18,;-8.46,-3.95,;-7.12,-3.18,;-5.79,-3.95,;-4.46,-3.18,;-3.12,-3.95,;-1.79,-3.18,;-1.79,-1.64,;-3.12,-.87,;-3.12,.67,;-4.46,1.44,;-5.79,.67,;-7.12,1.44,;-7.12,2.98,;-8.46,3.75,;-5.79,3.75,;-4.46,2.98,;-4.46,-1.64,;-.46,-.87,;.88,-1.64,;2.21,-.87,;2.21,.67,;3.54,1.44,;4.88,.67,;6.21,1.44,;6.21,2.98,;7.42,3.95,;8.92,3.6,;9.59,2.21,;11.13,2.21,;8.92,.83,;7.42,.48,;.88,1.44,;-.46,.67,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN(CC)CC)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;6.67,-.77,;5.33,-1.54,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2C3CCC2CC3)cn1 |r,wU:11.10,wD:14.14,THB:23:24:30.29:26.27,(-9.63,-3.85,;-8.29,-3.08,;-6.96,-3.85,;-5.63,-3.08,;-4.29,-3.85,;-2.96,-3.08,;-1.63,-3.85,;-.29,-3.08,;-.29,-1.54,;-1.63,-.77,;-1.63,.77,;-2.96,1.54,;-4.29,.77,;-5.63,1.54,;-5.63,3.08,;-6.96,3.85,;-4.29,3.85,;-2.96,3.08,;-2.96,-1.54,;1.04,-.77,;2.37,-1.54,;3.71,-.77,;3.71,.77,;5.04,1.54,;6.38,.77,;8.87,2.01,;9.63,.92,;8.09,.92,;7.33,2.01,;7.33,3.5,;8.87,3.5,;2.37,1.54,;1.04,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2C3CCC2CCC3)cn1 |r,wU:11.10,wD:14.14,TLB:23:24:26.27:29.31.30,(-8.88,-3.81,;-7.54,-3.04,;-6.21,-3.81,;-4.88,-3.04,;-3.54,-3.81,;-2.21,-3.04,;-.88,-3.81,;.46,-3.04,;.46,-1.5,;-.88,-.73,;-.88,.81,;-2.21,1.58,;-3.54,.81,;-4.88,1.58,;-4.88,3.12,;-6.21,3.89,;-3.54,3.89,;-2.21,3.12,;-2.21,-1.5,;1.79,-.73,;3.13,-1.5,;4.46,-.73,;4.46,.81,;5.79,1.58,;7.13,.81,;6.82,-2.22,;5.39,-2.78,;6.04,-1.39,;7.45,-.78,;8.86,-1.39,;8.88,-3.89,;8.25,-2.78,;3.13,1.58,;1.79,.81,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC(C)(C)C)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;8,3.08,;9.34,2.31,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC23CC4CC(CC(C4)C2)C3)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28:31.32.30,32:31:34:28.27.26,32:27:34:31.33.30,THB:33:31:28:34.25.26,33:25:28:31.32.30,(-9.75,-4.66,;-8.41,-3.89,;-7.08,-4.66,;-5.75,-3.89,;-4.41,-4.66,;-3.08,-3.89,;-1.75,-4.66,;-.41,-3.89,;-.41,-2.35,;-1.75,-1.58,;-1.75,-.04,;-3.08,.73,;-4.41,-.04,;-5.75,.73,;-5.75,2.27,;-7.08,3.04,;-4.41,3.04,;-3.08,2.27,;-3.08,-2.35,;.92,-1.58,;2.26,-2.35,;3.59,-1.58,;3.59,-.04,;4.92,.73,;6.26,-.04,;7.65,1.1,;8.42,3.1,;8.42,4.66,;7.09,3.9,;7.09,2.36,;8.42,1.58,;9.75,2.36,;9.75,3.9,;8.85,.43,;6.25,.45,;2.26,.73,;.92,-.04,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2C(C)(C)C2(C)C)cn1 |r,wU:11.10,wD:14.14,(-10.11,-4.13,;-8.77,-3.36,;-7.44,-4.13,;-6.1,-3.36,;-4.77,-4.13,;-3.44,-3.36,;-2.1,-4.13,;-.77,-3.36,;-.77,-1.82,;-2.1,-1.05,;-2.1,.49,;-3.44,1.26,;-4.77,.49,;-6.1,1.26,;-6.1,2.8,;-7.44,3.57,;-4.77,3.57,;-3.44,2.8,;-3.44,-1.82,;.56,-1.05,;1.9,-1.82,;3.23,-1.05,;3.23,.49,;4.56,1.26,;5.9,.49,;7.23,1.26,;8,2.59,;8,4.13,;9.34,3.36,;8.77,1.26,;10.11,.49,;10.11,2.03,;1.9,1.26,;.56,.49,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,THB:24:25:28.29:32,(-10.49,-3.56,;-9.15,-2.79,;-7.82,-3.56,;-6.49,-2.79,;-5.15,-3.56,;-3.82,-2.79,;-2.48,-3.56,;-1.15,-2.79,;-1.15,-1.25,;-2.48,-.48,;-2.48,1.06,;-3.82,1.83,;-5.15,1.06,;-6.49,1.83,;-6.49,3.37,;-7.82,4.14,;-5.15,4.14,;-3.82,3.37,;-3.82,-1.25,;.18,-.48,;1.52,-1.25,;2.85,-.48,;2.85,1.06,;4.18,1.83,;5.52,1.06,;6.85,1.83,;7.66,.62,;9.18,.33,;10.49,1.14,;10.09,-.34,;8.81,-1.2,;7.31,-.85,;9.72,-2.66,;10.12,-4.14,;1.52,1.83,;.18,1.06,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28.29:32,(-9.43,-2.5,;-8.1,-1.73,;-6.77,-2.5,;-5.43,-1.73,;-4.1,-2.5,;-2.77,-1.73,;-1.43,-2.5,;-.1,-1.73,;-.1,-.19,;-1.43,.58,;-1.43,2.12,;-2.77,2.89,;-4.1,2.12,;-5.43,2.89,;-5.43,4.43,;-6.77,5.2,;-4.1,5.2,;-2.77,4.43,;-2.77,-.19,;1.23,.58,;2.57,-.19,;3.9,.58,;3.9,2.12,;5.24,2.89,;6.57,2.12,;5.8,.78,;6.61,-.43,;8.13,-.72,;9.43,.09,;9.04,-1.4,;7.76,-2.25,;6.26,-1.91,;8.67,-3.71,;9.07,-5.2,;2.57,2.89,;1.23,2.12,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCC(C)(C)C)cn1 |r,wU:11.10,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;8.67,-.77,;8.67,2.31,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cn1 |r,wU:11.10,wD:14.14,TLB:33:32:35:29.28.27,33:28:35:32.34.31,25:26:29:32.33.31,THB:34:32:29:35.26.27,34:26:29:32.33.31,(-10,-3.85,;-8.67,-3.08,;-7.33,-3.85,;-6,-3.08,;-4.66,-3.85,;-3.33,-3.08,;-2,-3.85,;-.66,-3.08,;-.66,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.66,.77,;-6,1.54,;-6,3.08,;-7.33,3.85,;-4.66,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.34,-.77,;3.34,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;7.92,-.39,;7.9,-2.8,;6.5,-3.44,;7.34,-1.54,;8.67,-2.31,;10,-1.54,;9.1,-3.46,;10,0,;7.34,0,;2,1.54,;.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(COC(C)C)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;8,3.08,;2.67,1.54,;1.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(N)cn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(NC2CC2)nn1 |r,wU:11.10,wD:14.14,(-8.77,-3.85,;-7.44,-3.08,;-6.1,-3.85,;-4.77,-3.08,;-3.44,-3.85,;-2.1,-3.08,;-.77,-3.85,;.56,-3.08,;.56,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;-4.77,1.54,;-4.77,3.08,;-6.1,3.85,;-3.44,3.85,;-2.1,3.08,;-2.1,-1.54,;1.9,-.77,;3.23,-1.54,;4.56,-.77,;4.56,.77,;5.9,1.54,;7.23,.77,;8,-.56,;8.77,.77,;3.23,1.54,;1.9,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(OC)nn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6.05,.8,;7.38,1.57,;8.72,.8,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCC(CN(C)C)CC1 |r,wU:11.10,wD:14.14,t:28,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.08,;8,3.85,;9.34,3.08,;10.67,3.85,;9.34,1.54,;6.67,1.54,;5.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCN(C)CC1 |r,wU:11.10,wD:14.14,t:28,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;5.33,3.08,;6.67,3.85,;8,3.08,;9.34,3.85,;8,1.54,;6.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCN(CC1)C(C)C |r,wU:11.10,wD:14.14,t:28,(-10,-4.62,;-8.67,-3.85,;-7.34,-4.62,;-6,-3.85,;-4.67,-4.62,;-3.33,-3.85,;-2,-4.62,;-.67,-3.85,;-.67,-2.31,;-2,-1.54,;-2,,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-7.34,3.08,;-4.67,3.08,;-3.33,2.31,;-3.33,-2.31,;.67,-1.54,;2,-2.31,;3.33,-1.54,;3.33,,;2,.77,;.67,,;4.67,.77,;4.67,2.31,;6,3.08,;7.34,2.31,;7.34,.77,;6,,;8.67,3.08,;10,2.31,;8.67,4.62,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCNCC1 |r,wU:11.10,wD:14.14,t:28,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;6,1.54,;6,3.08,;7.34,3.85,;8.67,3.08,;8.67,1.54,;7.34,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(nn1)C(O)=O |r,wU:11.10,wD:14.14,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.38,.8,;4,1.54,;2.67,.77,;6.72,1.57,;6.72,3.11,;8.05,.8,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(nn1)N1CCCC1 |r,wU:11.10,wD:14.14,(-8.52,-3.85,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;3.48,1.54,;2.15,.77,;6.15,1.54,;7.61,1.06,;8.52,2.31,;7.61,3.56,;6.15,3.08,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(nn1)N1CCN(CC1)C(=O)OC(C)(C)C |r,wU:11.10,wD:14.14,(-11.34,-4.62,;-10,-3.85,;-8.67,-4.62,;-7.34,-3.85,;-6,-4.62,;-4.67,-3.85,;-3.33,-4.62,;-2,-3.85,;-2,-2.31,;-3.33,-1.54,;-3.33,,;-4.67,.77,;-6,,;-7.34,.77,;-7.34,2.31,;-8.67,3.08,;-6,3.08,;-4.67,2.31,;-4.67,-2.31,;-.67,-1.54,;.67,-2.31,;2,-1.54,;2,,;.67,.77,;-.67,,;3.33,.77,;4.67,,;6.05,.73,;6.05,2.34,;4.65,3.14,;3.33,2.31,;7.38,3.12,;7.38,4.66,;8.72,2.35,;10.05,3.12,;11.38,3.89,;10.82,1.79,;9.28,4.45,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cccc(CN2CCCCC2)n1 |r,wU:11.10,wD:14.14,(-8.67,-5,;-7.34,-4.23,;-6,-5,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-.67,-5,;.67,-4.23,;.67,-2.69,;-.67,-1.93,;-.67,-.38,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,2.69,;-3.33,2.69,;-2,1.93,;-2,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;7.34,4.23,;6,5,;4.67,4.23,;2,-.38,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccnc(N)n1 |r,wU:11.10,wD:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-1.33,3.85,;,3.08,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cnc(N)c(OC)n1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;4.67,1.54,;4.67,3.08,;3.33,3.85,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cnc(N)cn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;4.67,1.54,;3.33,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cnc(SC)cn1 |r,wU:11.10,wD:14.14,(-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-2.67,3.85,;-1.33,3.08,;-1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;8,.77,;4,1.54,;2.67,.77,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cncc(NC2CCCCC2)n1 |r,wU:11.10,wD:14.14,(-8,-5.01,;-6.67,-4.24,;-5.33,-5,;-4,-4.24,;-2.67,-5.01,;-1.33,-4.24,;,-5.01,;1.33,-4.24,;1.33,-2.7,;,-1.93,;,-.39,;-1.33,.38,;-2.67,-.39,;-4,.38,;-4,1.92,;-5.33,2.69,;-2.67,2.69,;-1.33,1.92,;-1.33,-2.7,;2.67,-1.93,;4,-2.7,;5.33,-1.93,;5.33,-.39,;4,.39,;4,1.93,;5.33,2.7,;6.67,1.93,;8,2.7,;8,4.24,;6.67,5.01,;5.33,4.24,;2.67,-.39,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cncc(n1)N1CCCC1 |r,wU:11.10,wD:14.14,(-6.67,-4.62,;-5.33,-3.85,;-4,-4.62,;-2.67,-3.85,;-1.33,-4.62,;,-3.85,;1.33,-4.62,;2.67,-3.85,;2.67,-2.31,;1.33,-1.54,;1.33,,;,.77,;-1.33,,;-2.67,.77,;-2.67,2.31,;-4,3.08,;-1.33,3.08,;,2.31,;,-2.31,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,.77,;4,,;5.33,2.31,;6.67,3.08,;6.67,4.62,;4,4.62,;4,3.08,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cncc(n1)N1CCOCC1 |r,wU:11.10,wD:14.14,(-6.67,-5.01,;-5.33,-4.24,;-4,-5,;-2.67,-4.24,;-1.33,-5.01,;,-4.24,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-2.67,.38,;-2.67,1.92,;-4,2.69,;-1.33,2.69,;,1.92,;,-2.7,;4,-1.93,;5.33,-2.7,;6.67,-1.93,;6.67,-.39,;5.33,.39,;4,-.39,;5.33,1.93,;6.67,2.7,;6.67,4.24,;5.33,5.01,;4,4.24,;4,2.7,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ncccc1CN1CCOCC1 |r,wU:11.10,wD:14.14,(-4.24,-33.05,;-2.9,-32.28,;-1.57,-33.05,;-.23,-32.28,;1.11,-33.05,;2.44,-32.28,;3.78,-33.05,;5.12,-32.28,;5.11,-30.73,;3.78,-29.97,;3.77,-28.43,;2.43,-27.66,;1.11,-28.43,;-.24,-27.66,;-.24,-26.12,;-1.56,-25.35,;1.11,-25.35,;2.44,-26.12,;2.45,-30.74,;6.44,-29.96,;6.43,-28.42,;7.75,-27.65,;9.1,-28.41,;9.1,-29.95,;7.77,-30.73,;7.77,-32.27,;9.11,-33.03,;9.1,-34.57,;10.43,-35.34,;11.77,-34.58,;11.77,-33.03,;10.43,-32.26,)|
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1nccnc1N |r,wU:11.10,wD:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-1.33,3.85,;,3.08,;,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;6.67,-.77,;5.33,-1.54,;5.33,-3.08,)|
CCCCNc1ncc(c(Nc2ccc(N)cc2)n1)-c1ccccn1
CCCCNc1ncc(c(Nc2ccc(O)cc2)n1)-c1ccccn1
COc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:13.12,wD:16.16,(-9.85,-1.54,;-8.52,-.77,;-7.19,-1.54,;-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.19,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-3.19,3.85,;-1.85,3.08,;-1.85,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;6.15,1.54,;7.48,.77,;7.48,-.77,;8.95,-1.25,;9.85,,;8.95,1.25,;3.48,1.54,;2.15,.77,;-4.52,-1.54,;-5.85,-.77,)|
Cc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:12.11,wD:15.15,(-9.19,-.77,;-7.85,-1.54,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,;-5.19,-1.54,;-6.52,-.77,)|
OCCCCNc1ncc(-c2nccs2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(-7.19,-3.08,;-5.85,-3.85,;-4.52,-3.08,;-3.19,-3.85,;-1.85,-3.08,;-.52,-3.85,;.82,-3.08,;2.15,-3.85,;3.48,-3.08,;3.48,-1.54,;4.82,-.77,;4.82,.77,;6.28,1.25,;7.19,,;6.28,-1.25,;2.15,-.77,;2.15,.77,;.82,1.54,;-.52,.77,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-.52,3.85,;.82,3.08,;.82,-1.54,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccc(C=C)cc2)ncc1-c1ccccn1 |r,wD:1.0,(-3.33,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;.67,3.08,;-.67,3.85,;2,.77,;2,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-4.67,-3.08,;-3.33,-3.85,;2,-3.85,;3.33,-3.08,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;7.34,.77,;6,1.54,;4.67,.77,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccc(cc2)C#C)ncc1-c1ccccn1 |r,wD:1.0,(-3.33,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;.67,3.08,;-.67,3.85,;2,.77,;2,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-6,-.77,;-7.34,,;2,-3.85,;3.33,-3.08,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;7.34,.77,;6,1.54,;4.67,.77,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccc3ccccc3c2)ncc1-c1ccccn1 |r,wD:1.0,(-4,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,;,1.54,;,3.08,;-1.33,3.85,;1.33,.77,;1.33,-.77,;,-1.54,;,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2cccc(c2)C#C)ncc1-c1ccccn1 |r,wD:1.0,(-3.33,4.23,;-2,3.46,;-2,1.92,;-.67,1.15,;.67,1.92,;.67,3.46,;-.67,4.23,;2,1.15,;2,-.39,;.67,-1.16,;.67,-2.7,;-.67,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-4.67,-1.16,;-4.67,-2.7,;-3.33,-3.47,;-6,-3.46,;-7.34,-4.23,;2,-3.46,;3.33,-2.7,;3.33,-1.16,;4.67,-.38,;6,-1.15,;7.34,-.38,;7.34,1.16,;6,1.93,;4.67,1.16,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2cccc3ccccc23)ncc1-c1ccccn1 |r,wD:1.0,(-4,5,;-2.67,4.23,;-2.67,2.69,;-1.33,1.92,;,2.69,;,4.23,;-1.33,5,;1.33,1.92,;1.33,.38,;,-.39,;,-1.93,;-1.33,-2.7,;-2.67,-1.93,;-2.67,-.39,;-4,.38,;-5.33,-.39,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-4,-2.7,;1.33,-2.69,;2.67,-1.93,;2.67,-.39,;4,.39,;5.33,-.38,;6.67,.39,;6.67,1.93,;5.33,2.7,;4,1.93,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccccc2C#C)ncc1-c1ccccn1 |r,wD:1.0,(-4.67,5.39,;-3.33,4.62,;-3.33,3.08,;-2,2.31,;-.67,3.08,;-.67,4.62,;-2,5.39,;.67,2.31,;.67,.77,;-.67,,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;-3.33,,;-4.67,.77,;-6,,;-6,-1.54,;-4.67,-2.31,;-4.67,-3.85,;-4.67,-5.39,;.67,-2.31,;2,-1.54,;2,,;3.33,.77,;4.67,,;6,.77,;6,2.31,;4.67,3.08,;3.33,2.31,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccccn2)ncc1-c1ccccn1 |r,wD:1.0,(-4.67,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-6,-3.08,;-4.67,-3.85,;.67,-3.85,;2,-3.08,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,)|
O[C@H]1CCC(CC1)Nc1nc(Nc2ccncc2)ncc1-c1ccccn1 |r,wD:1.0,(-4.67,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-6,-3.08,;-4.67,-3.85,;.67,-3.85,;2,-3.08,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NC2CCCCC2)ncc1-c1ccccn1 |r,wU:4.7,wD:1.0,(42.68,-36.74,;44.01,-37.51,;44.01,-39.05,;45.35,-39.82,;46.67,-39.05,;46.67,-37.51,;45.35,-36.74,;48.01,-39.82,;48.01,-41.36,;46.69,-42.13,;46.68,-43.67,;45.35,-44.44,;44.02,-43.67,;44.02,-42.13,;42.7,-41.36,;41.36,-42.12,;41.36,-43.67,;42.69,-44.45,;48.02,-44.45,;49.35,-43.67,;49.35,-42.12,;50.68,-41.35,;52.01,-42.12,;53.34,-41.35,;53.34,-39.8,;51.99,-39.04,;50.68,-39.81,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NCCC2CC2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-9.19,-2.31,;-9.19,-3.85,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(NCCC2CC2)ncc1-c1nccs1 |r,wU:4.7,wD:1.0,(-3.85,3.85,;-2.52,3.08,;-2.52,1.54,;-1.18,.77,;.15,1.54,;.15,3.08,;-1.18,3.85,;1.48,.77,;1.48,-.77,;.15,-1.54,;.15,-3.08,;-1.18,-3.85,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-2.31,;-6.52,-3.85,;1.48,-3.85,;2.82,-3.08,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.61,1.25,;6.52,,;5.61,-1.25,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(F)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(F)(F)F)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-9.19,-.77,;-10.52,-1.54,;-9.19,.77,;-9.19,-2.31,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)[N+]#[C-])ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-5.85,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-.52,.77,;-.52,-.77,;-1.85,-1.54,;-1.85,-3.08,;-3.19,-3.85,;-4.52,-3.08,;-5.85,-3.85,;-7.19,-3.08,;-7.25,-1.46,;-5.85,-.77,;-4.52,-1.54,;-8.57,-.67,;-9.9,.11,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;6.15,1.54,;7.48,.77,;7.48,-.77,;8.95,-1.25,;9.85,,;8.95,1.25,;3.48,1.54,;2.15,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(F)c2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-5.19,-1.54,;-6.52,-.77,;-7.85,-1.54,;-7.85,-3.08,;-9.19,-3.85,;-6.52,-3.85,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2F)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-7.19,4.62,;-5.85,3.85,;-5.85,2.31,;-4.52,1.54,;-3.19,2.31,;-3.19,3.85,;-4.52,4.62,;-1.85,1.54,;-1.85,,;-3.19,-.77,;-3.19,-2.31,;-4.52,-3.08,;-5.85,-2.31,;-5.85,-.77,;-7.19,,;-8.52,-.77,;-8.52,-2.31,;-7.19,-3.08,;-7.19,-4.62,;-1.85,-3.08,;-.52,-2.31,;-.52,-.77,;.82,,;2.15,-.77,;3.48,,;3.48,1.54,;4.82,2.31,;6.15,1.54,;6.15,,;7.61,-.48,;8.52,.77,;7.61,2.02,;2.15,2.31,;.82,1.54,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccnc2)ncc1-c1ccccn1 |r,wU:4.7,wD:1.0,(-4.67,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-6,-3.08,;-4.67,-3.85,;.67,-3.85,;2,-3.08,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(ncc1-c1ccccn1)N1CCCCC1 |r,wU:4.7,wD:1.0,(28.78,-35.05,;30.11,-35.82,;30.11,-37.36,;31.45,-38.14,;32.77,-37.36,;32.77,-35.82,;31.45,-35.05,;34.11,-38.13,;34.11,-39.67,;32.79,-40.44,;32.78,-41.98,;34.12,-42.75,;35.46,-41.98,;35.45,-40.43,;36.78,-39.66,;38.11,-40.43,;39.44,-39.66,;39.44,-38.11,;38.09,-37.35,;36.78,-38.12,;31.45,-42.75,;30.12,-41.97,;28.79,-42.74,;28.79,-44.28,;30.12,-45.05,;31.46,-44.29,)|