Compound Name

SMILES String

CCN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:7.19,4.3,(4.61,4.74,;3.84,3.4,;4.61,2.07,;6.15,2.07,;3.84,.74,;3.07,-.6,;1.53,-.6,;.76,.74,;-.15,1.98,;-1.61,1.51,;-2.86,2.41,;-4.26,1.79,;-4.43,.25,;-5.67,1.16,;-5.51,2.69,;-6.92,2.06,;-5.35,4.22,;-1.61,-.03,;-2.86,-.94,;-.15,-.51,;.33,-1.97,;-.7,-3.12,;-1.37,-1.73,;-2.24,-3.2,;-2.16,-4.74,;-.62,-4.66,;1.53,2.07,;3.07,2.07,;4.61,-.6,;3.84,-1.93,;4.61,-3.26,;6.15,-3.26,;6.92,-1.93,;6.15,-.6,)|

CCN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:7.19,4.3,(6.92,3.66,;6.15,2.33,;4.61,2.33,;3.84,3.66,;3.84,.99,;3.07,-.34,;1.53,-.34,;.76,.99,;-.15,2.24,;-1.61,1.76,;-2.86,2.67,;-4.26,2.04,;-3.87,.56,;-5.03,.71,;-5.51,2.95,;-6.92,2.32,;-5.35,4.48,;-1.61,.22,;-2.86,-.68,;-.15,-.25,;.33,-1.72,;-.7,-2.86,;-2.24,-2.94,;-2.16,-4.48,;-.62,-4.4,;1.53,2.33,;3.07,2.33,;4.61,-.34,;3.84,-1.67,;4.61,-3.01,;6.15,-3.01,;6.92,-1.67,;6.15,-.34,)|

CCN[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2)CC1)c1ccccc1 |r,wU:6.18,3.2,(4.61,4,;3.84,2.67,;4.61,1.33,;3.84,,;3.07,-1.33,;1.53,-1.33,;.76,,;-.15,1.25,;-1.61,.77,;-2.86,1.68,;-4.26,1.05,;-4.43,-.48,;-5.67,.42,;-5.51,1.95,;-6.92,1.33,;-5.35,3.49,;-1.61,-.77,;-2.86,-1.68,;-.15,-1.25,;1.53,1.33,;3.07,1.33,;4.61,-1.33,;3.84,-2.67,;4.61,-4,;6.15,-4,;6.92,-2.67,;6.15,-1.33,)|

CCN[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.18,3.2,(6.92,3.66,;6.15,2.33,;4.61,2.33,;3.84,.99,;3.07,-.34,;1.53,-.34,;.76,.99,;-.15,2.24,;-1.61,1.76,;-2.86,2.67,;-4.26,2.04,;-4.43,.51,;-5.67,1.42,;-5.51,2.95,;-6.92,2.32,;-5.35,4.48,;-1.61,.22,;-2.86,-.68,;-.15,-.25,;.33,-1.72,;-.7,-2.86,;-2.24,-2.94,;-2.16,-4.48,;-.62,-4.4,;1.53,2.33,;3.07,2.33,;4.61,-.34,;3.84,-1.67,;4.61,-3.01,;6.15,-3.01,;6.92,-1.67,;6.15,-.34,)|

CN(C)C(=O)CCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2cccc(F)c2)N(CC2CC2)C1=O |r,wU:9.26,12.15,(-8.37,2.68,;-7.04,1.91,;-7.04,.37,;-5.7,2.68,;-5.7,4.22,;-4.37,1.91,;-3.03,2.68,;-1.7,1.91,;-.24,2.39,;.67,1.14,;1.44,-.19,;2.98,-.19,;3.75,1.14,;2.98,2.47,;1.44,2.47,;4.52,2.47,;3.75,3.81,;6.06,2.47,;4.52,-.19,;3.75,-1.53,;4.52,-2.86,;6.06,-2.86,;6.83,-1.53,;8.37,-1.53,;6.06,-.19,;-.24,-.11,;.24,-1.57,;-.79,-2.71,;-2.26,-3.19,;-1.11,-4.22,;-1.7,.37,;-2.95,-.53,)|

CN(C)C(=O)CCNC(=O)CCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.30,17.20,(-10.48,-3.62,;-8.95,-3.78,;-8.32,-5.19,;-8.05,-2.54,;-8.67,-1.13,;-6.51,-2.7,;-5.61,-1.45,;-4.08,-1.61,;-3.17,-.37,;-3.8,1.04,;-1.64,-.53,;-.73,.72,;.8,.56,;1.83,1.7,;3.23,1.07,;4.57,.3,;5.9,1.07,;5.9,2.61,;4.57,3.38,;3.23,2.61,;6.3,4.1,;5.21,5.19,;7.79,4.5,;7.43,2.41,;8.02,.99,;9.54,.79,;10.48,2.01,;9.89,3.43,;8.37,3.63,;3.07,-.46,;4.22,-1.49,;3.9,-2.99,;2.61,-3.83,;3.44,-5.12,;4.74,-4.29,;1.57,-.78,;.94,-2.18,)|

CN(C)[C@@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2)CC1)c1ccccc1 |r,wU:3.2,wD:6.18,(6.19,.44,;4.77,1.03,;4.57,2.55,;3.54,.09,;2.77,1.42,;1.23,1.42,;.46,.09,;-.44,1.34,;-1.9,.86,;-3.15,1.77,;-4.56,1.14,;-5.33,-.19,;-4.16,-.35,;-5.8,2.04,;-7.21,1.42,;-5.64,3.58,;-1.9,-.68,;-3.15,-1.59,;-.44,-1.16,;1.23,-1.24,;2.77,-1.24,;4.63,-1,;4.24,-2.49,;5.32,-3.58,;6.81,-3.18,;7.21,-1.69,;6.12,-.6,)|

CN(C)[C@@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,wD:6.18,(6.19,1.34,;4.77,1.93,;4.57,3.46,;3.54,.99,;2.77,2.33,;1.23,2.33,;.46,.99,;-.44,2.24,;-1.9,1.76,;-3.15,2.67,;-4.56,2.04,;-5.33,.71,;-4.16,.56,;-5.8,2.95,;-7.21,2.32,;-5.64,4.48,;-1.9,.22,;-3.15,-.68,;-.44,-.25,;.04,-1.72,;-.99,-2.86,;.49,-3.26,;-2.53,-2.94,;-2.45,-4.48,;-.91,-4.4,;1.23,-.34,;2.77,-.34,;4.63,-.1,;4.24,-1.58,;5.32,-2.67,;6.81,-2.27,;7.21,-.79,;6.12,.3,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(=O)N3CCOCC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(5.19,3.82,;5.96,2.49,;7.5,2.49,;5.19,1.16,;4.42,-.18,;2.88,-.18,;2.11,1.16,;1.2,2.4,;-.26,1.93,;-1.6,2.7,;-2.93,1.93,;-3.7,.59,;-2.16,.59,;-4.26,2.7,;-4.26,4.24,;-5.6,1.93,;-6.93,2.7,;-8.27,1.93,;-8.27,.39,;-6.93,-.38,;-5.6,.39,;-.26,.39,;-1.51,-.52,;1.2,-.09,;1.68,-1.55,;.65,-2.7,;2.08,-3.25,;-.89,-2.7,;-.89,-4.24,;.65,-4.24,;2.88,2.49,;4.42,2.49,;5.96,-.18,;5.19,-1.51,;5.96,-2.84,;7.5,-2.84,;8.27,-1.51,;7.5,-.18,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.26,3.2,(5.96,3.82,;6.73,2.49,;8.27,2.49,;5.96,1.16,;5.19,-.18,;3.65,-.18,;2.88,1.16,;1.97,2.4,;.51,1.93,;-.83,2.7,;-2.16,1.93,;-2.93,.59,;-1.39,.59,;-3.49,2.7,;-3.49,4.24,;-4.83,1.93,;-6.16,2.7,;-7.5,1.93,;-7.5,.39,;-9.04,.39,;-8.27,-.95,;-6.16,-.38,;-4.83,.39,;.51,.39,;-.74,-.52,;1.97,-.09,;2.45,-1.55,;1.42,-2.7,;2.85,-3.25,;-.12,-2.7,;-.12,-4.24,;1.42,-4.24,;3.65,2.49,;5.19,2.49,;6.73,-.18,;5.96,-1.51,;6.73,-2.84,;8.27,-2.84,;9.04,-1.51,;8.27,-.18,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(=O)NCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,(8.1,2.33,;6.56,2.33,;5.79,3.66,;5.79,.99,;5.02,-.34,;3.48,-.34,;2.71,.99,;1.8,2.24,;.34,1.76,;-.91,2.67,;-2.32,2.04,;-2.15,3.57,;-2.48,.51,;-3.56,2.95,;-3.4,4.48,;-4.97,2.32,;-6.21,3.23,;-7.62,2.6,;-8.87,3.51,;-7.78,1.07,;.34,.22,;-.91,-.68,;1.8,-.25,;2.28,-1.72,;1.25,-2.86,;-.29,-2.94,;-.21,-4.48,;1.33,-4.4,;3.48,2.33,;5.02,2.33,;6.56,-.34,;5.79,-1.67,;6.56,-3.01,;8.1,-3.01,;8.87,-1.67,;8.1,-.34,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(=O)NCCO)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(5.85,3.82,;6.62,2.49,;8.16,2.49,;5.85,1.16,;5.08,-.18,;3.54,-.18,;2.77,1.16,;1.87,2.4,;.4,1.93,;-.93,2.7,;-2.26,1.93,;-3.03,.59,;-1.49,.59,;-3.6,2.7,;-3.6,4.24,;-4.93,1.93,;-6.27,2.7,;-7.6,1.93,;-8.93,2.7,;.4,.39,;-.84,-.52,;1.87,-.09,;2.34,-1.55,;1.31,-2.7,;2.75,-3.25,;-.23,-2.7,;-.23,-4.24,;1.31,-4.24,;3.54,2.49,;5.08,2.49,;6.62,-.18,;5.85,-1.51,;6.62,-2.84,;8.16,-2.84,;8.93,-1.51,;8.16,-.18,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2)CC1)c1ccccc1 |r,wU:6.18,3.2,(3.84,2.93,;4.61,1.59,;6.15,1.59,;3.84,.26,;3.07,-1.08,;1.53,-1.08,;.76,.26,;-.15,1.5,;-1.61,1.03,;-2.86,1.93,;-4.26,1.31,;-4.43,-.22,;-5.67,.68,;-5.51,2.21,;-6.92,1.59,;-5.35,3.74,;-1.61,-.51,;-2.86,-1.42,;-.15,-.99,;1.53,1.59,;3.07,1.59,;4.61,-1.08,;3.84,-2.41,;4.61,-3.74,;6.15,-3.74,;6.92,-2.41,;6.15,-1.08,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2(CCC2)C#N)CC1)c1ccccc1 |r,wU:6.18,3.2,(4.48,3.79,;4.48,2.25,;5.9,1.66,;3.39,1.16,;2.62,-.18,;1.08,-.18,;.31,1.16,;-.59,2.4,;-2.06,1.93,;-3.39,2.7,;-4.73,1.93,;-5.5,.59,;-3.96,.59,;-6.06,2.7,;-7.39,1.93,;-6.06,4.24,;-2.06,.39,;-3.3,-.52,;-.59,-.09,;-.12,-1.55,;-1.15,-2.7,;-2.69,-2.7,;-2.69,-4.24,;-1.15,-4.24,;.34,-3.1,;1.83,-3.49,;1.08,2.49,;2.62,2.49,;4.73,.39,;4.73,-1.15,;6.06,-1.92,;7.39,-1.15,;7.39,.39,;6.06,1.16,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.18,(3.84,3.66,;4.61,2.33,;6.15,2.33,;3.84,.99,;3.07,-.34,;1.53,-.34,;.76,.99,;-.15,2.24,;-1.61,1.76,;-2.86,2.67,;-4.26,2.04,;-4.1,3.57,;-4.43,.51,;-5.51,2.95,;-6.92,2.32,;-5.35,4.48,;-1.61,.22,;-2.86,-.68,;-.15,-.25,;.33,-1.72,;-.7,-2.86,;.75,-3.38,;-2.24,-2.94,;-2.16,-4.48,;-.62,-4.4,;1.53,2.33,;3.07,2.33,;4.61,-.34,;3.84,-1.67,;4.61,-3.01,;6.15,-3.01,;6.92,-1.67,;6.15,-.34,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2CC2)CC1)c1cccc(F)c1 |r,wU:6.18,3.2,(3.42,3.76,;3.81,2.28,;5.3,1.88,;2.72,1.19,;1.95,-.15,;.41,-.15,;-.36,1.19,;-1.26,2.43,;-2.72,1.96,;-4.06,2.73,;-5.39,1.96,;-6.16,.62,;-4.62,.62,;-6.73,2.73,;-8.06,1.96,;-6.73,4.27,;-2.72,.42,;-3.97,-.49,;-1.26,-.06,;-.49,-1.39,;-1.26,-2.73,;-2.59,-3.5,;-1.26,-4.27,;.41,2.52,;1.95,2.52,;4.06,.42,;4.06,-1.12,;5.39,-1.89,;6.73,-1.12,;6.73,.42,;8.06,1.19,;5.39,1.19,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.18,3.2,(4.48,3.77,;4.48,2.23,;5.97,1.83,;3.39,1.14,;2.62,-.19,;1.08,-.19,;.31,1.14,;-.59,2.39,;-2.06,1.91,;-3.39,2.68,;-4.73,1.91,;-5.5,.58,;-3.96,.58,;-6.06,2.68,;-7.39,1.91,;-6.06,4.22,;-2.06,.37,;-3.3,-.53,;-.59,-.11,;-.12,-1.57,;-1.15,-2.71,;-2.61,-3.19,;-1.47,-4.22,;1.08,2.47,;2.62,2.47,;4.73,.37,;4.73,-1.17,;6.06,-1.94,;7.39,-1.17,;7.39,.37,;6.06,1.14,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.18,3.2,(5.9,3.28,;4.37,3.12,;3.47,4.36,;3.75,1.71,;3.12,.3,;1.59,.14,;.68,1.39,;-.35,2.53,;-1.75,1.9,;-3.09,2.67,;-4.42,1.9,;-4.42,.36,;-4.42,3.44,;-5.75,2.67,;-7.09,1.9,;-5.75,4.21,;-1.59,.37,;-2.74,-.66,;-.09,.05,;.54,-1.35,;-.37,-2.6,;-1.89,-2.84,;-1.65,-4.36,;-.12,-4.12,;1.31,2.79,;2.84,2.95,;4.65,.46,;4.03,-.94,;4.93,-2.19,;6.46,-2.03,;7.09,-.62,;6.18,.62,)|

CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2COC2)CC1)c1ccccc1 |r,wU:6.18,3.2,(4.48,3.79,;4.48,2.25,;5.97,1.85,;3.39,1.16,;2.62,-.18,;1.08,-.18,;.31,1.16,;-.59,2.4,;-2.06,1.93,;-3.39,2.7,;-4.73,1.93,;-5.5,.59,;-3.96,.59,;-6.06,2.7,;-7.39,1.93,;-6.06,4.24,;-2.06,.39,;-3.3,-.52,;-.59,-.09,;-.12,-1.55,;-1.15,-2.7,;-2.69,-2.7,;-2.69,-4.24,;-1.15,-4.24,;1.08,2.49,;2.62,2.49,;4.73,.39,;4.73,-1.15,;6.06,-1.92,;7.39,-1.15,;7.39,.39,;6.06,1.16,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)N3CCCC(O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(3.23,5.43,;4.32,4.34,;5.8,4.74,;3.92,2.86,;3.92,1.32,;2.58,.55,;1.25,1.32,;-.16,1.94,;-1.19,.8,;-2.72,.96,;-3.62,-.29,;-5.16,-.13,;-5.78,1.28,;-6.06,-1.37,;-7.59,-1.21,;-8.5,-2.46,;-7.87,-3.86,;-6.34,-4.03,;-5.71,-5.43,;-5.43,-2.78,;-.42,-.54,;-1.04,-1.94,;1.09,-.22,;2.23,-1.25,;1.91,-2.75,;.62,-3.59,;1.46,-4.88,;2.75,-4.04,;1.25,2.86,;2.58,3.63,;5.44,2.65,;6.03,1.23,;7.56,1.03,;8.5,2.25,;7.91,3.68,;6.38,3.88,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)N3CC[C@H](O)[C@@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,18.18,wD:16.16,(3.99,5.27,;5.08,4.18,;6.57,4.58,;4.68,2.69,;4.68,1.15,;3.35,.38,;2.02,1.15,;.61,1.78,;-.42,.64,;-1.95,.8,;-2.86,-.45,;-4.39,-.29,;-5.02,1.12,;-5.3,-1.53,;-4.67,-2.94,;-5.57,-4.19,;-7.11,-4.03,;-8.01,-5.27,;-7.73,-2.62,;-9.26,-2.46,;-6.83,-1.37,;.35,-.7,;-.28,-2.1,;1.85,-.38,;3,-1.41,;2.68,-2.91,;1.39,-3.75,;2.23,-5.04,;3.52,-4.21,;2.02,2.69,;3.35,3.46,;6.21,2.49,;6.8,1.07,;8.33,.87,;9.26,2.09,;8.67,3.51,;7.15,3.72,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)N3CCn4ncnc4C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.26,3.2,(8.73,1.34,;7.31,1.93,;7.11,3.46,;6.09,.99,;5.32,-.34,;3.78,-.34,;3.01,.99,;2.1,2.24,;.64,1.76,;-.61,2.67,;-2.01,2.04,;-3.26,2.95,;-3.1,4.48,;-4.67,2.32,;-4.83,.79,;-6.23,.16,;-7.48,1.07,;-8.99,.75,;-9.76,2.08,;-8.72,3.23,;-7.32,2.6,;-5.91,3.23,;.64,.22,;-.61,-.68,;2.1,-.25,;2.58,-1.72,;1.55,-2.86,;.01,-2.94,;.09,-4.48,;1.63,-4.4,;3.78,2.33,;5.32,2.33,;7.18,-.1,;6.78,-1.58,;7.87,-2.67,;9.36,-2.27,;9.76,-.79,;8.67,.3,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)N3C[C@H](O)[C@@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,15.15,wD:17.17,(3.75,5.36,;4.84,4.27,;6.33,4.67,;4.44,2.78,;4.44,1.24,;3.11,.47,;1.77,1.24,;.36,1.87,;-.67,.72,;-2.2,.88,;-3.1,-.36,;-4.63,-.2,;-5.26,1.21,;-5.54,-1.45,;-7.08,-1.45,;-7.55,-2.91,;-9.02,-3.39,;-6.31,-3.82,;-6.31,-5.36,;-5.06,-2.91,;.1,-.61,;-.52,-2.02,;1.61,-.29,;2.76,-1.32,;2.44,-2.83,;1.14,-3.67,;1.98,-4.96,;3.27,-4.12,;1.77,2.78,;3.11,3.55,;5.97,2.58,;6.56,1.16,;8.08,.96,;9.02,2.18,;8.43,3.6,;6.9,3.8,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)N3C[C@H](O)[C@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,15.15,17.17,(3.75,5.36,;4.84,4.27,;6.33,4.67,;4.44,2.78,;4.44,1.24,;3.11,.47,;1.77,1.24,;.36,1.87,;-.67,.72,;-2.2,.88,;-3.1,-.36,;-4.63,-.2,;-5.26,1.21,;-5.54,-1.45,;-7.08,-1.45,;-7.55,-2.91,;-9.02,-3.39,;-6.31,-3.82,;-6.31,-5.36,;-5.06,-2.91,;.1,-.61,;-.52,-2.02,;1.61,-.29,;2.76,-1.32,;2.44,-2.83,;1.14,-3.67,;1.98,-4.96,;3.27,-4.12,;1.77,2.78,;3.11,3.55,;5.97,2.58,;6.56,1.16,;8.08,.96,;9.02,2.18,;8.43,3.6,;6.9,3.8,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)NC3COC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(5.34,3.46,;6.11,2.13,;7.65,2.13,;5.34,.79,;4.57,-.54,;3.03,-.54,;2.26,.79,;1.36,2.04,;-.11,1.56,;-1.35,2.47,;-2.76,1.84,;-4.01,2.75,;-3.85,4.28,;-5.41,2.12,;-6.66,3.03,;-6.9,4.55,;-8.42,4.31,;-8.18,2.78,;-.11,.02,;-1.35,-.88,;1.36,-.45,;1.83,-1.92,;.74,-3.01,;2.17,-3.6,;-.8,-3.01,;-.8,-4.55,;.74,-4.55,;3.03,2.13,;4.57,2.13,;6.11,-.54,;5.34,-1.87,;6.11,-3.21,;7.65,-3.21,;8.42,-1.87,;7.65,-.54,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)NCC3(O)CCC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(6.53,4.32,;6.93,2.84,;8.42,2.44,;5.84,1.75,;5.21,.34,;3.68,.18,;2.78,1.43,;1.75,2.57,;.34,1.94,;-1,2.71,;-2.33,1.94,;-3.66,2.71,;-3.66,4.25,;-5,1.94,;-6.33,2.71,;-7.66,1.94,;-6.89,.61,;-8.43,3.28,;-9.77,2.51,;-9,1.17,;.5,.41,;-.64,-.62,;2.01,.09,;2.63,-1.32,;1.73,-2.56,;.21,-2.8,;.45,-4.32,;1.97,-4.08,;3.4,2.83,;4.93,2.99,;7.11,.87,;6.99,-.66,;8.26,-1.53,;9.65,-.87,;9.77,.67,;8.5,1.54,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)NCCO)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(5.79,3.59,;6.56,2.26,;8.1,2.26,;5.79,.93,;5.02,-.41,;3.48,-.41,;2.71,.93,;1.8,2.17,;.34,1.7,;-.91,2.6,;-2.32,1.98,;-3.56,2.88,;-3.4,4.41,;-4.97,2.25,;-6.21,3.16,;-7.62,2.53,;-8.87,3.44,;.34,.16,;-.91,-.75,;1.8,-.32,;2.28,-1.78,;1.19,-2.87,;2.61,-3.46,;-.35,-2.87,;-.35,-4.41,;1.19,-4.41,;3.48,2.26,;5.02,2.26,;6.56,-.41,;5.79,-1.74,;6.56,-3.07,;8.1,-3.07,;8.87,-1.74,;8.1,-.41,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)NCc3cnco3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(4.23,5.16,;5.32,4.07,;6.81,4.47,;4.93,2.58,;4.93,1.04,;3.59,.27,;2.26,1.04,;.85,1.67,;-.18,.52,;-1.71,.68,;-2.62,-.56,;-4.15,-.4,;-4.77,1.01,;-5.05,-1.65,;-6.58,-1.49,;-7.49,-2.73,;-7.01,-4.2,;-8.26,-5.1,;-9.51,-4.2,;-9.03,-2.73,;.59,-.81,;-.04,-2.22,;2.1,-.49,;3.24,-1.52,;2.92,-3.03,;1.63,-3.87,;2.47,-5.16,;3.76,-4.32,;2.26,2.58,;3.59,3.35,;6.45,2.38,;7.04,.96,;8.57,.76,;9.51,1.98,;8.92,3.4,;7.39,3.6,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)NCc3ncco3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(4.23,5.16,;5.32,4.07,;6.81,4.47,;4.93,2.58,;4.93,1.04,;3.59,.27,;2.26,1.04,;.85,1.67,;-.18,.52,;-1.71,.68,;-2.62,-.56,;-4.15,-.4,;-4.77,1.01,;-5.05,-1.65,;-6.58,-1.49,;-7.49,-2.73,;-9.03,-2.73,;-9.51,-4.2,;-8.26,-5.1,;-7.01,-4.2,;.59,-.81,;-.04,-2.22,;2.1,-.49,;3.24,-1.52,;2.92,-3.03,;1.63,-3.87,;2.47,-5.16,;3.76,-4.32,;2.26,2.58,;3.59,3.35,;6.45,2.38,;7.04,.96,;8.57,.76,;9.51,1.98,;8.92,3.4,;7.39,3.6,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3ccc(cn3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.27,3.2,(7.68,2.1,;7.88,.58,;9.3,-.01,;6.66,-.36,;5.89,-1.69,;4.35,-1.69,;3.58,-.36,;2.67,.89,;1.21,.41,;-.04,1.31,;-1.44,.69,;-2.69,1.59,;-2.53,3.13,;-4.1,.97,;-5.34,1.87,;-6.75,1.25,;-7.99,2.15,;-7.83,3.68,;-6.43,4.31,;-5.18,3.4,;-9.08,4.59,;-9.98,3.34,;-10.33,5.49,;-8.17,5.83,;1.21,-1.13,;-.04,-2.04,;2.67,-1.61,;3.15,-3.07,;2.12,-4.22,;.58,-4.3,;.66,-5.83,;2.2,-5.75,;4.35,.97,;5.89,.97,;7.75,-1.45,;7.35,-2.94,;8.44,-4.03,;9.93,-3.63,;10.33,-2.14,;9.24,-1.05,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3ccc(nc3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.27,3.2,(7.68,2.1,;7.88,.58,;9.3,-.01,;6.66,-.36,;5.89,-1.69,;4.35,-1.69,;3.58,-.36,;2.67,.89,;1.21,.41,;-.04,1.31,;-1.44,.69,;-2.69,1.59,;-2.53,3.13,;-4.1,.97,;-5.34,1.87,;-5.18,3.4,;-6.43,4.31,;-7.83,3.68,;-7.99,2.15,;-6.75,1.25,;-9.08,4.59,;-9.98,3.34,;-10.33,5.49,;-8.17,5.83,;1.21,-1.13,;-.04,-2.04,;2.67,-1.61,;3.15,-3.07,;2.12,-4.22,;.58,-4.3,;.66,-5.83,;2.2,-5.75,;4.35,.97,;5.89,.97,;7.75,-1.45,;7.35,-2.94,;8.44,-4.03,;9.93,-3.63,;10.33,-2.14,;9.24,-1.05,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3ccccn3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(8.1,1.74,;6.56,1.74,;5.79,3.07,;5.79,.4,;5.02,-.93,;3.48,-.93,;2.71,.4,;1.8,1.65,;.34,1.17,;-.91,2.08,;-2.32,1.45,;-3.56,2.36,;-3.4,3.89,;-4.97,1.73,;-6.21,2.63,;-7.62,2.01,;-8.87,2.91,;-8.71,4.45,;-7.3,5.07,;-6.05,4.17,;.34,-.37,;-.91,-1.27,;1.8,-.84,;2.28,-2.31,;1.25,-3.45,;2.7,-3.97,;-.29,-3.53,;-.21,-5.07,;1.33,-4.99,;3.48,1.74,;5.02,1.74,;6.56,-.93,;5.79,-2.27,;6.56,-3.6,;8.1,-3.6,;8.87,-2.27,;8.1,-.93,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3cccnc3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(8.1,1.67,;6.56,1.67,;5.79,3,;5.79,.33,;5.02,-1,;3.48,-1,;2.71,.33,;1.8,1.58,;.34,1.1,;-.91,2.01,;-2.32,1.38,;-3.56,2.29,;-3.4,3.82,;-4.97,1.66,;-6.21,2.57,;-7.62,1.94,;-8.87,2.85,;-8.71,4.38,;-7.3,5,;-6.05,4.1,;.34,-.44,;-.91,-1.34,;1.8,-.91,;2.28,-2.38,;1.19,-3.46,;2.61,-4.05,;-.35,-3.46,;-.35,-5,;1.19,-5,;3.48,1.67,;5.02,1.67,;6.56,-1,;5.79,-2.33,;6.56,-3.67,;8.1,-3.67,;8.87,-2.33,;8.1,-1,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3cccnn3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(8.1,1.74,;6.56,1.74,;5.79,3.07,;5.79,.4,;5.02,-.93,;3.48,-.93,;2.71,.4,;1.8,1.65,;.34,1.17,;-.91,2.08,;-2.32,1.45,;-3.56,2.36,;-3.4,3.89,;-4.97,1.73,;-6.21,2.63,;-6.05,4.17,;-7.3,5.07,;-8.71,4.45,;-8.87,2.91,;-7.62,2.01,;.34,-.37,;-.91,-1.27,;1.8,-.84,;2.28,-2.31,;1.25,-3.45,;2.7,-3.97,;-.29,-3.53,;-.21,-5.07,;1.33,-4.99,;3.48,1.74,;5.02,1.74,;6.56,-.93,;5.79,-2.27,;6.56,-3.6,;8.1,-3.6,;8.87,-2.27,;8.1,-.93,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3ccncc3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(8.1,1.67,;6.56,1.67,;5.79,3,;5.79,.33,;5.02,-1,;3.48,-1,;2.71,.33,;1.8,1.58,;.34,1.1,;-.91,2.01,;-2.32,1.38,;-3.56,2.29,;-3.4,3.82,;-4.97,1.66,;-6.21,2.57,;-6.05,4.1,;-7.3,5,;-8.71,4.38,;-8.87,2.85,;-7.62,1.94,;.34,-.44,;-.91,-1.34,;1.8,-.91,;2.28,-2.38,;1.19,-3.46,;2.61,-4.05,;-.35,-3.46,;-.35,-5,;1.19,-5,;3.48,1.67,;5.02,1.67,;6.56,-1,;5.79,-2.33,;6.56,-3.67,;8.1,-3.67,;8.87,-2.33,;8.1,-1,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3cnc(nc3)C#N)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(9.26,1.14,;7.72,1.14,;6.95,2.48,;6.95,-.19,;6.18,-1.52,;4.64,-1.52,;3.87,-.19,;2.97,1.06,;1.5,.58,;.26,1.49,;-1.15,.86,;-2.4,1.76,;-2.24,3.3,;-3.8,1.14,;-5.05,2.04,;-4.89,3.57,;-6.13,4.48,;-7.54,3.85,;-7.7,2.32,;-6.46,1.42,;-8.79,4.76,;-10.03,5.66,;1.5,-.96,;.26,-1.87,;2.97,-1.44,;3.44,-2.9,;2.41,-4.05,;3.86,-4.56,;.87,-4.13,;.96,-5.66,;2.49,-5.58,;4.64,1.14,;6.18,1.14,;7.72,-1.52,;6.95,-2.86,;7.72,-4.19,;9.26,-4.19,;10.03,-2.86,;9.26,-1.52,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3cncnc3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(5.79,3,;6.56,1.67,;8.1,1.67,;5.79,.33,;5.02,-1,;3.48,-1,;2.71,.33,;1.8,1.58,;.34,1.1,;-.91,2.01,;-2.32,1.38,;-3.56,2.29,;-3.4,3.82,;-4.97,1.66,;-6.21,2.57,;-6.05,4.1,;-7.3,5,;-8.71,4.38,;-8.87,2.85,;-7.62,1.94,;.34,-.44,;-.91,-1.34,;1.8,-.91,;2.28,-2.38,;1.19,-3.46,;2.61,-4.05,;-.35,-3.46,;-.35,-5,;1.19,-5,;3.48,1.67,;5.02,1.67,;6.56,-1,;5.79,-2.33,;6.56,-3.67,;8.1,-3.67,;8.87,-2.33,;8.1,-1,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3nccc(O)n3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(8.1,.97,;6.56,.97,;5.79,2.3,;5.79,-.36,;5.02,-1.7,;3.48,-1.7,;2.71,-.36,;1.8,.88,;.34,.41,;-.91,1.31,;-2.32,.68,;-3.56,1.59,;-3.4,3.12,;-4.97,.96,;-6.21,1.87,;-7.62,1.24,;-8.87,2.15,;-8.71,3.68,;-7.3,4.31,;-7.14,5.84,;-6.05,3.4,;.34,-1.13,;-.91,-2.04,;1.8,-1.61,;2.28,-3.07,;1.25,-4.22,;2.7,-4.73,;-.29,-4.3,;-.21,-5.84,;1.33,-5.76,;3.48,.97,;5.02,.97,;6.56,-1.7,;5.79,-3.03,;6.56,-4.36,;8.1,-4.36,;8.87,-3.03,;8.1,-1.7,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3ncccn3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(8.1,1.74,;6.56,1.74,;5.79,3.07,;5.79,.4,;5.02,-.93,;3.48,-.93,;2.71,.4,;1.8,1.65,;.34,1.17,;-.91,2.08,;-2.32,1.45,;-3.56,2.36,;-3.4,3.89,;-4.97,1.73,;-6.21,2.63,;-6.05,4.17,;-7.3,5.07,;-8.71,4.45,;-8.87,2.91,;-7.62,2.01,;.34,-.37,;-.91,-1.27,;1.8,-.84,;2.28,-2.31,;1.25,-3.45,;2.7,-3.97,;-.29,-3.53,;-.21,-5.07,;1.33,-4.99,;3.48,1.74,;5.02,1.74,;6.56,-.93,;5.79,-2.27,;6.56,-3.6,;8.1,-3.6,;8.87,-2.27,;8.1,-.93,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.16,3.2,(6.15,2.33,;4.61,2.33,;3.84,3.66,;3.84,.99,;3.07,-.34,;1.53,-.34,;.76,.99,;-.15,2.24,;-1.61,1.76,;-2.86,2.67,;-4.26,2.04,;-5.51,2.95,;-6.92,2.32,;-5.35,4.48,;-1.61,.22,;-2.86,-.68,;-.15,-.25,;.33,-1.72,;-.7,-2.86,;.75,-3.38,;-2.24,-2.94,;-2.16,-4.48,;-.62,-4.4,;1.53,2.33,;3.07,2.33,;4.61,-.34,;3.84,-1.67,;4.61,-3.01,;6.15,-3.01,;6.92,-1.67,;6.15,-.34,)|

CN(C)[C@]1(CC[C@]2(CN(CCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.16,3.2,(6.15,2.33,;4.61,2.33,;3.84,3.66,;3.84,.99,;3.07,-.34,;1.53,-.34,;.76,.99,;-.15,2.24,;-1.61,1.76,;-2.86,2.67,;-4.26,2.04,;-5.51,2.95,;-5.35,4.48,;-6.92,2.32,;-1.61,.22,;-2.86,-.68,;-.15,-.25,;.33,-1.72,;-.7,-2.86,;-2.24,-2.94,;-2.16,-4.48,;-.62,-4.4,;1.53,2.33,;3.07,2.33,;4.61,-.34,;3.84,-1.67,;4.61,-3.01,;6.15,-3.01,;6.92,-1.67,;6.15,-.34,)|

CNC(=O)CCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2(O)CCC2)C1=O |r,wU:8.24,11.14,(-7.54,3.16,;-6.29,2.25,;-4.89,2.88,;-4.73,4.41,;-3.64,1.98,;-2.24,2.6,;-.99,1.7,;.48,2.17,;1.38,.93,;2.15,-.41,;3.69,-.41,;4.46,.93,;3.69,2.26,;2.15,2.26,;5.23,2.26,;4.46,3.59,;6.77,2.26,;5.23,-.41,;4.46,-1.74,;5.23,-3.07,;6.77,-3.07,;7.54,-1.74,;6.77,-.41,;.48,-.32,;.95,-1.78,;-.14,-2.87,;1.29,-3.46,;-1.68,-2.87,;-1.68,-4.41,;-.14,-4.41,;-.99,.16,;-2.24,-.75,)|

CNC(=O)CCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:8.24,11.14,(-7.54,3.16,;-6.29,2.25,;-4.89,2.88,;-4.73,4.41,;-3.64,1.98,;-2.24,2.6,;-.99,1.7,;.48,2.17,;1.38,.93,;2.15,-.41,;3.69,-.41,;4.46,.93,;3.69,2.26,;2.15,2.26,;5.23,2.26,;4.46,3.59,;6.77,2.26,;5.23,-.41,;4.46,-1.74,;5.23,-3.07,;6.77,-3.07,;7.54,-1.74,;6.77,-.41,;.48,-.32,;.95,-1.78,;-.14,-2.87,;-1.68,-2.87,;-1.68,-4.41,;-.14,-4.41,;-.99,.16,;-2.24,-.75,)|

CNC(=O)CCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CCOC)C1=O |r,wU:8.24,11.14,(-8.06,3.23,;-6.73,2.46,;-5.39,3.23,;-5.39,4.77,;-4.06,2.46,;-2.72,3.23,;-1.39,2.46,;.07,2.94,;.98,1.69,;1.75,.36,;3.29,.36,;4.06,1.69,;3.29,3.03,;1.75,3.03,;5.15,2.78,;6.64,2.38,;4.75,4.27,;5.39,.92,;5.39,-.62,;6.73,-1.39,;8.06,-.62,;8.06,.92,;6.73,1.69,;.07,.45,;.55,-1.02,;-.48,-2.16,;-.01,-3.63,;-1.04,-4.77,;-1.39,.92,;-2.64,.02,)|

CNC(=O)CCN1C[C@]2(CC[C@@](CC2)(N(C)CC(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:8.27,11.14,(-8.31,2.9,;-7.06,2,;-5.66,2.62,;-5.5,4.15,;-4.41,1.72,;-3.01,2.34,;-1.76,1.44,;-.29,1.92,;.61,.67,;1.38,-.66,;2.92,-.66,;3.69,.67,;2.92,2,;1.38,2,;4.46,2,;3.69,3.34,;6,2,;6.77,3.34,;8.31,3.34,;6,4.67,;4.46,-.66,;3.69,-2,;4.46,-3.33,;6,-3.33,;6.77,-2,;6,-.66,;-.29,-.58,;.18,-2.04,;-.91,-3.13,;-2.45,-3.13,;-2.45,-4.67,;-.91,-4.67,;-1.76,-.1,;-3.01,-1.01,)|

CNC(=O)CCN1C[C@]2(CC[C@@](CC2)(NC)c2ccccc2)N(CC2(O)CCC2)C1=O |r,wU:8.23,11.14,(-7.54,3.16,;-6.29,2.25,;-4.89,2.88,;-4.73,4.41,;-3.64,1.98,;-2.24,2.6,;-.99,1.7,;.48,2.17,;1.38,.93,;2.15,-.41,;3.69,-.41,;4.46,.93,;3.69,2.26,;2.15,2.26,;5.23,2.26,;4.46,3.59,;5.23,-.41,;4.46,-1.74,;5.23,-3.07,;6.77,-3.07,;7.54,-1.74,;6.77,-.41,;.48,-.32,;.95,-1.78,;-.14,-2.87,;1.29,-3.46,;-1.68,-2.87,;-1.68,-4.41,;-.14,-4.41,;-.99,.16,;-2.24,-.75,)|

CN[C@]1(CCC2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:2.1,(4.08,3.71,;4.48,2.22,;3.39,1.13,;2.62,-.2,;1.08,-.2,;.31,1.13,;-.59,2.38,;-2.06,1.9,;-3.39,2.67,;-4.73,1.9,;-5.5,.57,;-3.96,.57,;-6.06,2.67,;-7.39,1.9,;-6.06,4.21,;-2.06,.36,;-3.3,-.55,;-.59,-.12,;-.12,-1.58,;-1.21,-2.67,;-2.75,-2.67,;-2.75,-4.21,;-1.21,-4.21,;1.08,2.46,;2.62,2.46,;4.73,.36,;4.73,-1.18,;6.06,-1.95,;7.39,-1.18,;7.39,.36,;6.06,1.13,)|

CN[C@]1(CC[C@]2(CN(CC(C)(C)C(=O)NCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:2.1,5.21,(5.79,3.66,;6.56,2.33,;5.79,.99,;5.02,-.34,;3.48,-.34,;2.71,.99,;1.8,2.24,;.34,1.76,;-.91,2.67,;-2.32,2.04,;-2.15,3.57,;-2.48,.51,;-3.56,2.95,;-3.4,4.48,;-4.97,2.32,;-6.21,3.23,;-7.62,2.6,;-8.87,3.51,;-7.78,1.07,;.34,.22,;-.91,-.68,;1.8,-.25,;2.28,-1.72,;1.25,-2.86,;-.29,-2.94,;-.21,-4.48,;1.33,-4.4,;3.48,2.33,;5.02,2.33,;6.56,-.34,;5.79,-1.67,;6.56,-3.01,;8.1,-3.01,;8.87,-1.67,;8.1,-.34,)|

CN[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2)CC1)c1ccccc1 |r,wU:5.17,2.1,(3.84,2.93,;4.61,1.59,;3.84,.26,;3.07,-1.08,;1.53,-1.08,;.76,.26,;-.15,1.5,;-1.61,1.03,;-2.86,1.93,;-4.26,1.31,;-4.43,-.22,;-5.67,.68,;-5.51,2.21,;-6.92,1.59,;-5.35,3.74,;-1.61,-.51,;-2.86,-1.42,;-.15,-.99,;1.53,1.59,;3.07,1.59,;4.61,-1.08,;3.84,-2.41,;4.61,-3.74,;6.15,-3.74,;6.92,-2.41,;6.15,-1.08,)|

CN[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:2.1,5.17,(3.84,3.66,;4.61,2.33,;3.84,.99,;3.07,-.34,;1.53,-.34,;.76,.99,;-.15,2.24,;-1.61,1.76,;-2.86,2.67,;-4.26,2.04,;-4.1,3.57,;-4.43,.51,;-5.51,2.95,;-6.92,2.32,;-5.35,4.48,;-1.61,.22,;-2.86,-.68,;-.15,-.25,;.33,-1.72,;-.7,-2.86,;.75,-3.38,;-2.24,-2.94,;-2.16,-4.48,;-.62,-4.4,;1.53,2.33,;3.07,2.33,;4.61,-.34,;3.84,-1.67,;4.61,-3.01,;6.15,-3.01,;6.92,-1.67,;6.15,-.34,)|

CN[C@]1(CC[C@]2(CN(CCC(=O)NC3COC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:2.1,5.20,(5.34,3.53,;6.11,2.19,;5.34,.86,;4.57,-.47,;3.03,-.47,;2.26,.86,;1.36,2.11,;-.11,1.63,;-1.35,2.53,;-2.76,1.91,;-4.01,2.81,;-3.85,4.35,;-5.41,2.19,;-6.66,3.09,;-6.9,4.61,;-8.42,4.37,;-8.18,2.85,;-.11,.09,;-1.35,-.82,;1.36,-.39,;1.83,-1.85,;.8,-3,;2.25,-3.51,;-.74,-3.08,;-.66,-4.61,;.88,-4.53,;3.03,2.19,;4.57,2.19,;6.11,-.47,;5.34,-1.81,;6.11,-3.14,;7.65,-3.14,;8.42,-1.81,;7.65,-.47,)|

CN[C@]1(CC[C@]2(CN(CCC(=O)NCCO)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:5.18,2.1,(5.79,3.59,;6.56,2.26,;5.79,.93,;5.02,-.41,;3.48,-.41,;2.71,.93,;1.8,2.17,;.34,1.7,;-.91,2.6,;-2.32,1.98,;-3.56,2.88,;-3.4,4.41,;-4.97,2.25,;-6.21,3.16,;-7.62,2.53,;-8.87,3.44,;.34,.16,;-.91,-.75,;1.8,-.32,;2.28,-1.78,;1.19,-2.87,;2.61,-3.46,;-.35,-2.87,;-.35,-4.41,;1.19,-4.41,;3.48,2.26,;5.02,2.26,;6.56,-.41,;5.79,-1.74,;6.56,-3.07,;8.1,-3.07,;8.87,-1.74,;8.1,-.41,)|

CN[C@]1(CC[C@]2(CN(CCC(=O)Nc3cccnn3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:5.22,2.1,(5.79,3,;6.56,1.67,;5.79,.33,;5.02,-1,;3.48,-1,;2.71,.33,;1.8,1.58,;.34,1.1,;-.91,2.01,;-2.32,1.38,;-3.56,2.29,;-3.4,3.82,;-4.97,1.66,;-6.21,2.57,;-6.05,4.1,;-7.3,5,;-8.71,4.38,;-8.87,2.85,;-7.62,1.94,;.34,-.44,;-.91,-1.34,;1.8,-.91,;2.28,-2.38,;1.19,-3.46,;2.61,-4.05,;-.35,-3.46,;-.35,-5,;1.19,-5,;3.48,1.67,;5.02,1.67,;6.56,-1,;5.79,-2.33,;6.56,-3.67,;8.1,-3.67,;8.87,-2.33,;8.1,-1,)|

CN[C@]1(CC[C@]2(CN(CCC(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:5.15,2.1,(3.84,3.59,;4.61,2.26,;3.84,.93,;3.07,-.41,;1.53,-.41,;.76,.93,;-.15,2.17,;-1.61,1.7,;-2.86,2.6,;-4.26,1.98,;-5.51,2.88,;-6.92,2.25,;-5.35,4.41,;-1.61,.16,;-2.86,-.75,;-.15,-.32,;.33,-1.78,;-.76,-2.87,;.66,-3.46,;-2.3,-2.87,;-2.3,-4.41,;-.76,-4.41,;1.53,2.26,;3.07,2.26,;4.61,-.41,;3.84,-1.74,;4.61,-3.07,;6.15,-3.07,;6.92,-1.74,;6.15,-.41,)|

COCCCN1C(=O)N(CC(C)(C)C(N)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:20.24,17.17,(-.78,-5.71,;-1.26,-4.24,;-.23,-3.1,;-.7,-1.63,;.33,-.49,;-.15,.98,;-1.61,1.45,;-2.86,.55,;-1.61,2.99,;-2.86,3.9,;-4.26,3.27,;-4.1,4.8,;-4.43,1.74,;-5.51,4.18,;-6.92,3.55,;-5.35,5.71,;-.15,3.47,;.76,2.22,;1.53,.89,;3.07,.89,;3.84,2.22,;3.07,3.56,;1.53,3.56,;4.61,3.56,;6.15,3.56,;3.84,4.89,;4.61,.89,;3.84,-.45,;4.61,-1.78,;6.15,-1.78,;6.92,-.45,;6.15,.89,)|

COCCCN1C(=O)N(CCC(=O)N2CCC[C@@H]2C(N)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:22.23,25.30,17.18,(-.02,-5.54,;-.02,-4,;1.01,-2.86,;.53,-1.39,;1.56,-.25,;1.09,1.22,;-.38,1.69,;-1.62,.79,;-.38,3.23,;-1.71,4,;-3.05,3.23,;-4.38,4,;-4.38,5.54,;-5.71,3.23,;-7.12,3.86,;-8.15,2.71,;-7.38,1.38,;-5.87,1.7,;-4.73,.67,;-5.05,-.84,;-3.27,1.15,;1.09,3.71,;1.99,2.46,;2.76,1.13,;4.3,1.13,;5.07,2.46,;4.3,3.8,;2.76,3.8,;5.84,3.8,;7.38,3.8,;5.07,5.13,;5.84,1.13,;5.07,-.21,;5.84,-1.54,;7.38,-1.54,;8.15,-.21,;7.38,1.13,)|

COCCCN1C(=O)N(CCC(=O)N2CCNC(=O)C2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:24.29,21.22,(.62,-5.53,;.62,-3.99,;1.71,-2.9,;1.31,-1.41,;2.34,-.26,;1.87,1.2,;.4,1.68,;-.84,.77,;.4,3.22,;-.93,3.99,;-2.26,3.22,;-3.6,3.99,;-3.6,5.53,;-4.93,3.22,;-4.93,1.68,;-6.27,.91,;-7.6,1.68,;-7.6,3.22,;-8.93,3.99,;-6.27,3.99,;1.87,3.69,;2.77,2.45,;3.54,1.11,;5.08,1.11,;5.85,2.45,;5.08,3.78,;3.54,3.78,;6.62,3.78,;8.16,3.78,;5.85,5.11,;6.62,1.11,;5.85,-.22,;6.62,-1.56,;8.16,-1.56,;8.93,-.22,;8.16,1.11,)|

COCCCN1C(=O)N(CCC(=O)NC(C)(C)C(N)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:24.28,21.21,(.44,-5.72,;.44,-4.18,;1.52,-3.09,;1.13,-1.6,;2.21,-.51,;1.82,.98,;.35,1.45,;-.89,.55,;.35,2.99,;-.89,3.9,;-2.3,3.27,;-3.55,4.18,;-3.55,5.72,;-4.88,3.41,;-6.21,4.18,;-5.13,5.27,;-7.55,4.95,;-7.55,3.41,;-8.88,4.18,;-7.55,1.87,;1.82,3.47,;2.72,2.22,;3.49,.89,;5.03,.89,;5.8,2.22,;5.03,3.56,;3.49,3.56,;6.57,3.56,;8.11,3.56,;5.8,4.89,;6.57,.89,;5.8,-.45,;6.57,-1.78,;8.11,-1.78,;8.88,-.45,;8.11,.89,)|

COCCCN1C(=O)N(CCC(=O)NCC(N)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:19.19,22.26,(.76,-5.54,;.76,-4,;1.79,-2.86,;1.31,-1.39,;2.34,-.25,;1.87,1.22,;.4,1.69,;-.84,.79,;.4,3.23,;-.93,4,;-2.26,3.23,;-3.6,4,;-3.6,5.54,;-4.93,3.23,;-6.27,4,;-7.6,3.23,;-8.93,4,;-7.6,1.69,;1.87,3.71,;2.77,2.46,;3.54,1.13,;5.08,1.13,;5.85,2.46,;5.08,3.8,;3.54,3.8,;6.62,3.8,;8.16,3.8,;5.85,5.13,;6.62,1.13,;5.85,-.21,;6.62,-1.54,;8.16,-1.54,;8.93,-.21,;8.16,1.13,)|

COCCCN1C(=O)N(CCC(=O)NCCO)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:21.25,18.18,(.62,-5.53,;.62,-3.99,;1.71,-2.9,;1.31,-1.41,;2.34,-.26,;1.87,1.2,;.4,1.68,;-.84,.77,;.4,3.22,;-.93,3.99,;-2.26,3.22,;-3.6,3.99,;-3.6,5.53,;-4.93,3.22,;-6.27,3.99,;-7.6,3.22,;-8.93,3.99,;1.87,3.69,;2.77,2.45,;3.54,1.11,;5.08,1.11,;5.85,2.45,;5.08,3.78,;3.54,3.78,;6.62,3.78,;8.16,3.78,;5.85,5.11,;6.62,1.11,;5.85,-.22,;6.62,-1.56,;8.16,-1.56,;8.93,-.22,;8.16,1.11,)|

COCCCN1C(=O)N(CCC(=O)NCCS(C)(=O)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:24.28,21.21,(1.29,-5.53,;1.29,-3.99,;2.38,-2.9,;1.98,-1.41,;3.01,-.26,;2.53,1.2,;1.07,1.68,;-.18,.77,;1.07,3.22,;-.26,3.99,;-1.6,3.22,;-2.93,3.99,;-2.93,5.53,;-4.26,3.22,;-5.6,3.99,;-6.93,3.22,;-8.27,3.99,;-9.6,3.22,;-7.18,5.07,;-9.35,5.07,;2.53,3.69,;3.44,2.45,;4.21,1.11,;5.75,1.11,;6.52,2.45,;5.75,3.78,;4.21,3.78,;7.29,3.78,;8.83,3.78,;6.52,5.11,;7.29,1.11,;6.52,-.22,;7.29,-1.56,;8.83,-1.56,;9.6,-.22,;8.83,1.11,)|

COCCN1C(=O)N(CC(C)(C)C(N)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:19.23,16.16,(-1.26,-4.97,;-.23,-3.83,;-.7,-2.37,;.33,-1.22,;-.15,.24,;-1.61,.72,;-2.86,-.19,;-1.61,2.26,;-2.86,3.16,;-4.26,2.54,;-4.1,4.07,;-4.43,1.01,;-5.51,3.44,;-6.92,2.82,;-5.35,4.97,;-.15,2.74,;.76,1.49,;1.53,.16,;3.07,.16,;3.84,1.49,;3.07,2.82,;1.53,2.82,;4.61,2.82,;6.15,2.82,;3.84,4.16,;4.61,.16,;3.84,-1.18,;4.61,-2.51,;6.15,-2.51,;6.92,-1.18,;6.15,.16,)|

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COc1ccc(NC(=O)CCN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nn1 |r,wU:13.29,16.19,(-9.54,5.98,;-9.7,4.45,;-8.46,3.54,;-7.05,4.17,;-5.8,3.26,;-5.96,1.73,;-4.72,.82,;-3.31,1.45,;-3.15,2.98,;-2.07,.55,;-.66,1.17,;.59,.27,;2.05,.74,;2.96,-.5,;3.73,-1.84,;5.27,-1.84,;6.04,-.5,;5.27,.83,;3.73,.83,;7.26,.43,;7.06,1.96,;8.68,-.16,;7.13,-1.59,;6.73,-3.08,;7.82,-4.17,;9.3,-3.77,;9.7,-2.28,;8.61,-1.19,;2.05,-1.75,;2.53,-3.21,;1.5,-4.36,;-.04,-4.44,;.04,-5.98,;1.58,-5.9,;.59,-1.27,;-.66,-2.18,;-7.37,1.1,;-8.62,2.01,)|

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COc1ccnc(NC(=O)CCN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1 |r,wU:14.30,17.20,(-10.72,2.36,;-9.38,1.59,;-8.05,2.36,;-8.05,3.9,;-6.71,4.67,;-5.38,3.9,;-5.38,2.36,;-4.05,1.59,;-2.71,2.36,;-2.71,3.9,;-1.38,1.59,;-.05,2.36,;1.29,1.59,;2.69,2.22,;3.72,1.08,;4.63,-.17,;6.16,-.01,;6.79,1.4,;5.88,2.64,;4.35,2.48,;7.88,2.49,;9.36,2.09,;7.48,3.97,;8.06,.52,;7.94,-1.01,;9.21,-1.88,;10.6,-1.22,;10.72,.32,;9.45,1.19,;2.95,-.26,;3.58,-1.67,;2.68,-2.91,;1.15,-3.15,;1.4,-4.67,;2.92,-4.43,;1.45,.06,;.3,-.97,;-6.71,1.59,)|

COc1cncc(NC(=O)CCN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:14.30,17.20,(-6.02,6.15,;-7.43,5.52,;-7.59,3.99,;-9,3.37,;-9.16,1.83,;-7.91,.93,;-6.51,1.56,;-5.26,.65,;-3.85,1.28,;-3.69,2.81,;-2.61,.37,;-1.2,1,;.04,.09,;1.51,.57,;2.41,-.68,;3.18,-2.01,;4.72,-2.01,;5.49,-.68,;4.72,.66,;3.18,.66,;6.72,.26,;6.52,1.79,;8.14,-.33,;6.58,-1.77,;6.18,-3.25,;7.27,-4.34,;8.76,-3.94,;9.16,-2.46,;8.07,-1.37,;1.51,-1.92,;1.99,-3.39,;.95,-4.53,;-.58,-4.61,;-.5,-6.15,;1.04,-6.07,;.04,-1.45,;-1.2,-2.35,;-6.35,3.09,)|

COc1cnccc1NC(=O)CCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:15.32,18.22,(-5.83,5.18,;-5.69,3.65,;-6.95,2.76,;-8.35,3.41,;-9.61,2.53,;-9.47,1,;-8.08,.35,;-6.82,1.23,;-5.42,.58,;-4.16,1.46,;-4.3,3,;-2.76,.82,;-1.5,1.7,;-.11,1.05,;1.24,1.8,;2.37,.75,;3.46,-.34,;4.94,.06,;5.34,1.55,;4.25,2.63,;2.77,2.24,;6.11,2.88,;5.34,4.21,;7.65,2.88,;6.76,.96,;6.97,-.57,;8.39,-1.16,;9.61,-.22,;9.41,1.3,;7.99,1.89,;1.72,-.65,;2.46,-1.99,;1.67,-3.31,;.18,-3.69,;.55,-5.18,;2.05,-4.81,;.19,-.46,;-.86,-1.59,)|