2647 SMILES Strings for Corticotropin-releasing factor receptor 1

Compound Name
SMILES String
CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC(C)C)cc1OC |(3.14,4.46,;1.66,4.86,;.57,3.77,;-.92,4.17,;-2.01,3.08,;-3.51,3.81,;-3.51,5.35,;-4.84,6.12,;-6.18,5.35,;-6.18,3.81,;-4.84,3.04,;-1.61,1.59,;-2.52,.35,;-4.06,.35,;-4.83,-.99,;-1.61,-.9,;-.15,-.42,;1.32,-.9,;2.22,.35,;1.32,1.59,;-.15,1.12,;1.72,-2.39,;3.2,-2.79,;4.29,-1.7,;5.78,-2.1,;3.6,-4.27,;2.51,-5.36,;2.91,-6.85,;1.82,-7.94,;.34,-7.54,;-.75,-8.63,;-.06,-6.05,;1.03,-4.96,;.63,-3.48,;-.86,-3.08,;-1.95,-4.17,)|
CCc1sc2c(NC(=O)C3(O)CC3)c(OC)nn2c1-c1c(OC)cc(COC)cc1OC |(4.71,2.99,;3.94,1.65,;2.4,1.65,;1.49,2.9,;.03,2.42,;-1.44,2.9,;-1.91,4.36,;-.88,5.51,;-1.36,6.97,;.62,5.19,;.23,3.7,;1.96,5.96,;1.71,4.1,;-2.34,1.65,;-3.88,1.65,;-4.65,.32,;-1.44,.41,;.03,.88,;1.49,.41,;1.89,-1.08,;.8,-2.17,;-.69,-1.77,;-1.77,-2.86,;1.2,-3.66,;2.69,-4.05,;3.09,-5.54,;2,-6.63,;2.4,-8.12,;3.78,-2.97,;3.38,-1.48,;4.47,-.39,;5.96,-.79,)|
Cc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c(C)c1Cl |r,wU:5.4,wD:8.11,(7.23,-2.19,;6.46,-.86,;4.99,-.38,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;6.46,1.64,;6.86,3.12,;7.36,.39,;8.9,.39,)|
Cc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1 |r,wU:7.6,wD:10.13,(7.23,-2.19,;6.46,-.86,;7.36,.39,;6.46,1.64,;6.86,3.12,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;4.99,-.38,)|
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C
CCC(CC)Oc1cc(CC)nc(Oc2c(C)cc(C)cc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1CC
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(=O)OC
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1[N+]([O-])=O
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1N
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1N(C)C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1Br
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(O)=O
CCC(CC)Oc1c(C)c(C)nc(Oc2c(C)cc(C)cc2C)c1C
CCC(CC)Oc1c(C)c(Oc2c(C)cc(C)cc2C)nc(C)c1CC
CCC(CC)Oc1cc(C)nc(Oc2c(C)cccc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(CC)cc2C)c1C
CCCc1cc(C)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(C)c1
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(F)cc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(Br)cc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(I)cc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(cc2C)C(N)=O)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(O)cc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(OC)cc2C)c1C
CCOc1cc(C)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(C)c1
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(OC(C)C)cc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C=O)cc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(CO)cc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(COC)cc2C)c1C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(cc2C)C(C)(C)O)c1C
CCC(C)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C
CCC(COC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C
Cc1cc(C)c(Oc2nc(C)cc(OC3CCOC3)c2C)c(C)c1
CC\C(Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C)=C/C
CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)nc2C)c1C
CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C
CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C
CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(Br)cc2C)c1C
CC[C@@H](CO)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)OC |r|
CC[C@@H](CO)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)NC |r|
CCC(CC)Oc1cc(C)nc(Nc2c(C)cc(C)cc2C)c1C
CCC(CC)Nc1cc(C)nc(Nc2c(C)cc(C)cc2C)c1C
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1C
CCCCN(CC)c1cc(C)nc2N(CCNc12)c1ccc(OC)cc1C
CCCCN(CC)c1nc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1C
CCCCN(CC)c1nc(C)nc2N(CCNc12)c1ccc(OC)cc1C
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)nc1OC
CCCCN(CC)c1cc(C)nc2N(CCNc12)c1ccc(OC)nc1OC
CCCCN(CC)c1nc(C)nc2N(CC(=O)Nc12)c1ccc(OC)nc1OC
CCCCN(CC)c1nc(C)nc2N(CCNc12)c1ccc(OC)nc1OC
CCCN(CCOC)c1cc(C)nc2N(CC(=O)Nc12)c1cc(OC)c(OC)cc1C
CCCN(CCOC)c1cc(C)nc2N(CCNc12)c1cc(OC)c(OC)cc1C
CCCN(CCOC)c1nc(C)nc2N(CC(=O)Nc12)c1cc(OC)c(OC)cc1C
CCCN(CCOC)c1nc(C)nc2N(CCNc12)c1cc(OC)c(OC)cc1C
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1C)C#N
CCCCN(CC)c1cc(C)nc2N(CCNc12)c1ccc(cc1C)C#N
CCCCN(CC)c1nc(C)nc2N(CC(=O)Nc12)c1ccc(cc1C)C#N
CCCCN(CC)c1nc(C)nc2N(CCNc12)c1ccc(cc1C)C#N
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1C)C(C)=O
CCCCN(CC)c1cc(C)nc2N(CCNc12)c1ccc(cc1C)C(C)=O
CCCCN(CC)c1nc(C)nc2N(CC(=O)Nc12)c1ccc(cc1C)C(C)=O
CCCCN(CC)c1nc(C)nc2N(CCNc12)c1ccc(cc1C)C(C)=O
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-2.62,13.06,;-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;2.43,11.35,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;.28,11.12,;1.68,10.48,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCN(CCC#N)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;3.43,10.29,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
COc1ccc(-c2c(C)nn3c(nc(C)nc23)N(CCC#N)C2CC2)c(C)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;3.43,10.29,;-2.59,8.98,;-3.36,10.32,;-4.13,8.98,;1.01,.52,;2.34,1.29,;1.01,-1.02,)|
COc1ccc(-c2c(C)nn3c(nc(C)nc23)N2CCCC2)c(C)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.08,8.22,;-0,9.76,;-1.44,10.31,;-2.41,9.12,;1.01,.52,;2.34,1.29,;1.01,-1.02,)|
COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(2.32,11.47,;1.92,9.99,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;3.53,6.28,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCOCC(COCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(3.8,11.87,;2.32,11.47,;1.92,9.99,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;3.53,6.28,;5.02,6.68,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
COc1ccc(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(C)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-1.57,7.83,;-.06,8.13,;.81,9.4,;2.08,8.52,;1.21,7.26,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;1.01,.52,;2.34,1.29,;1.01,-1.02,)|
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(1.94,9.89,;.43,9.59,;-.06,8.13,;.95,6.97,;2.45,7.33,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
CC[C@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |r,wU:2.2,(2.45,7.33,;.95,6.97,;-.06,8.13,;.43,9.59,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
CC[C@@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |r,wD:2.2,(2.45,7.33,;.95,6.97,;-.06,8.13,;.43,9.59,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
CCCC(C)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(3.51,6.21,;2.45,7.33,;.95,6.97,;-.06,8.13,;.43,9.59,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
COc1cc(C)c(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(OC)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-1.57,7.83,;-.06,8.13,;1.01,9.24,;2.12,8.17,;1.05,7.06,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.66,.52,;-2.99,1.29,;-4.33,.52,;-1.66,-1.02,)|
CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-5.12,9.84,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
COc1cc(C)c(-c2c(C)nn3c(nc(C)nc23)N(CC=C)CC=C)c(OC)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;-2.59,8.98,;-4.1,8.68,;-5.12,9.84,;-1.66,.52,;-2.99,1.29,;-4.33,.52,;-1.66,-1.02,)|
CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-5.12,9.84,;-4.1,8.68,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;.04,11.08,;1.52,10.67,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
CCCN(C)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-5.12,9.84,;-4.1,8.68,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
COc1cc(C)c(-c2c(C)nn3c(nc(C)nc23)N(C)CC=C)c(OC)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.06,8.13,;-2.59,8.98,;-4.1,8.68,;-5.12,9.84,;-1.66,.52,;-2.99,1.29,;-4.33,.52,;-1.66,-1.02,)|
CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
CCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-4.1,8.68,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;2.43,11.35,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
COCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-5.55,9.2,;-5.28,7.69,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-3.11,11.6,;-2.62,13.06,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
CCN(CCC#N)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;3.43,10.29,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
CCC1CCCCN1c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.48,7.45,;.99,7.08,;-.08,8.19,;.35,9.67,;-.71,10.78,;-2.21,10.42,;-2.64,8.94,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1C |(-2.84,13.01,;-3.27,11.53,;-2.21,10.42,;-2.64,8.94,;-1.57,7.83,;-.08,8.19,;.35,9.67,;1.85,10.04,;2.28,11.52,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
CCCCN(C)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1C |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.64,8.94,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(C)c(OC)cc1C |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.64,8.94,;-2.24,10.43,;-3.33,11.51,;-2.93,13,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1C |(2.48,7.45,;.99,7.08,;-.08,8.19,;.35,9.67,;1.85,10.04,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1Cl |(2.48,7.45,;.99,7.08,;-.08,8.19,;.35,9.67,;1.85,10.04,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1Cl |(-2.15,10.43,;-2.61,8.96,;-1.57,7.83,;-.08,8.19,;.35,9.67,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1Cl |(-2.73,13.03,;-3.19,11.56,;-2.15,10.43,;-2.61,8.96,;-1.57,7.83,;-.08,8.19,;.35,9.67,;1.85,10.04,;2.28,11.52,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Cl |(-2.73,13.03,;-3.19,11.56,;-2.15,10.43,;-2.61,8.96,;-1.57,7.83,;-.08,8.19,;.35,9.67,;1.85,10.04,;2.28,11.52,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Br |(1.85,10.04,;.35,9.67,;-.08,8.19,;.99,7.08,;2.48,7.47,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Br |(.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Br |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-3.24,11.52,;-2.84,13.01,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1C |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-3.24,11.52,;-2.84,13.01,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)c(C)c1C |(.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;2.34,-1.79,;1.01,.52,;2.34,1.29,)|
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)c(C)c1C |(1.85,10.04,;.35,9.67,;-.08,8.19,;.99,7.08,;2.48,7.48,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;2.34,-1.79,;1.01,.52,;2.34,1.29,)|
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(1.94,9.89,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
COCCNc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.34,11.83,;-1.57,13.16,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(-2.34,11.83,;-1.57,10.49,;-2.34,9.16,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
CCCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.34,11.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.34,11.83,;-1.57,13.16,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(1.94,9.89,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cnc(OC)cc1C |(-2.62,13.06,;-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.34,9.62,;1.82,10.01,;2.22,11.5,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1cnc(OC)cc1C |(-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.34,9.62,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cnc(OC)cc1C |(2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;1.82,10.01,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;1.82,10.01,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CC[C@@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |r,wD:2.2,(2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CC[C@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |r,wU:2.2,(2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCC[C@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |r,wU:3.3,(3.57,6.31,;2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCC(C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(3.57,6.31,;2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCCC(C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(5.06,6.71,;3.57,6.31,;2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.34,9.62,;1.82,10.01,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(-2.62,13.06,;-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.34,9.62,;1.82,10.01,;2.22,11.5,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.34,9.62,;1.82,10.01,;2.22,11.5,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
COCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(2.22,11.5,;1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.05,11.98,;-.74,11.17,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.05,11.98,;-.74,11.17,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCN(C)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCN(C)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCCN(C)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(2.22,11.5,;1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(2.22,11.5,;1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(2.22,11.5,;1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-3.11,11.6,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1SC |c:14|
CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1Br |c:14|
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(O)=O
CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)|
CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-4.03,1.25,;-2.68,.48,;-1.35,1.27,;-1.37,2.81,;-2.86,3.21,;-.02,.5,;-.02,-1.04,;-1.34,-1.81,;-1.34,-3.35,;-2.66,-4.12,;,-4.12,;1.33,-3.35,;2.8,-3.8,;3.7,-2.55,;5.24,-2.53,;2.77,-1.32,;1.33,-1.81,;3.3,-5.26,;2.28,-6.39,;2.77,-7.87,;4.28,-8.16,;4.78,-9.63,;3.76,-10.79,;5.3,-7,;4.79,-5.55,;5.82,-4.4,)|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)CC)[C@@H](C)O)C(C)C)C(C)O)C(=O)N[C@@H](C)C(N)=O
CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc12
ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
Cc1ncc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)cc1Cl |r,wU:7.6,wD:10.13,(10,3.85,;8.67,3.08,;7.34,3.85,;6,3.08,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-8.67,-.77,;-10,-1.54,;-8.67,.77,;-10,,;7.34,.77,;8.67,1.54,;10,.77,)|
COCc1cc(OC)c(-c2c(SC)sc3c(N(CC4CC4)CC4CCOCC4)c(SC)nn23)c(OC)c1 |(4.36,-5.9,;3.03,-6.67,;1.7,-5.9,;1.7,-4.36,;.36,-3.59,;.36,-2.05,;-.97,-1.28,;-2.31,-2.05,;1.7,-1.28,;1.7,.26,;2.6,1.51,;4.14,1.51,;4.91,2.84,;1.7,2.76,;.23,2.28,;-1.23,2.76,;-1.63,4.24,;-3.12,4.64,;-4.21,3.55,;-5.7,3.15,;-4.61,2.07,;-.54,5.33,;1,5.33,;1.77,4,;3.31,4,;4.08,5.33,;3.31,6.67,;1.77,6.67,;-2.14,1.51,;-3.68,1.51,;-4.45,.18,;-1.23,.26,;.23,.74,;3.03,-2.05,;4.36,-1.28,;5.7,-2.05,;3.03,-3.59,)|
CCCN(CCC)c1c(C)nn2c(c(SC)sc12)-c1c(OC)cc(COC)cc1OC |(2.99,6.26,;1.66,5.49,;.33,6.26,;-1.01,5.49,;-2.34,6.26,;-3.68,5.49,;-5.01,6.26,;-1.01,3.95,;-2.25,3.04,;-3.59,3.81,;-1.78,1.58,;-.24,1.58,;1.01,.67,;2.25,1.58,;3.59,.81,;4.92,1.58,;1.78,3.04,;.24,3.04,;1.01,-.87,;2.34,-1.64,;3.68,-.87,;5.01,-1.64,;2.34,-3.18,;1.01,-3.95,;1.01,-5.49,;2.34,-6.26,;3.68,-5.49,;-.33,-3.18,;-.33,-1.64,;-1.66,-.87,;-2.99,-1.64,)|
CCCN(CCC)c1c(C)nn2c(c(sc12)S(C)=O)-c1c(O)cc(COC)cc1OC |(-5.78,3.98,;-4.29,3.58,;-3.2,4.67,;-1.72,4.27,;-.63,5.36,;.86,4.96,;1.95,6.05,;-1.32,2.79,;-2.22,1.54,;-3.76,1.54,;-1.32,.3,;.15,.77,;1.61,.3,;2.52,1.54,;1.61,2.79,;.15,2.31,;4.06,1.54,;4.83,.21,;4.83,2.87,;2.01,-1.19,;3.5,-1.59,;4.59,-.5,;3.9,-3.08,;2.81,-4.17,;3.2,-5.66,;4.69,-6.05,;5.78,-4.96,;1.32,-3.77,;.92,-2.28,;-.57,-1.88,;-1.66,-2.97,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOCC4)c(C)nn23)c(OC)c1 |(17.24,-37.02,;16.5,-35.68,;14.96,-35.65,;14.21,-34.3,;12.67,-34.28,;11.93,-32.93,;10.39,-32.91,;9.59,-34.23,;12.71,-31.61,;11.97,-30.27,;12.84,-29.01,;11.92,-27.78,;10.46,-28.29,;8.99,-27.85,;8.44,-26.4,;6.92,-26.15,;5.95,-27.34,;4.51,-27.89,;5.71,-28.86,;9.2,-25.06,;8.41,-23.74,;9.16,-22.4,;8.37,-21.07,;6.83,-21.09,;6.08,-22.44,;6.87,-23.76,;8.11,-29.11,;6.57,-29.14,;9.04,-30.33,;10.5,-29.82,;14.25,-31.64,;15.05,-30.32,;16.58,-30.34,;15,-32.99,)|
COCc1cc(OC)c(-c2c(C)sc3c(N(CC4CC4)CC4CCOCC4)c(C)nn23)c(OC)c1 |(51.97,-36.57,;51.23,-35.23,;49.69,-35.2,;48.94,-33.85,;47.4,-33.83,;46.66,-32.48,;45.12,-32.46,;44.32,-33.78,;47.44,-31.16,;46.7,-29.82,;47.57,-28.56,;49.11,-28.52,;46.65,-27.33,;45.19,-27.84,;43.72,-27.39,;43.17,-25.95,;41.65,-25.7,;40.68,-26.89,;39.24,-27.44,;40.44,-28.41,;43.93,-24.61,;43.14,-23.29,;43.89,-21.95,;43.1,-20.62,;41.56,-20.64,;40.81,-21.99,;41.6,-23.31,;42.84,-28.66,;41.3,-28.69,;43.77,-29.88,;45.23,-29.37,;48.98,-31.19,;49.78,-29.87,;51.31,-29.89,;49.73,-32.54,)|
COCc1cc(OC)c(-c2c(C)sc3c(N(CC4CC4)CC4CCOC4)c(OC)nn23)c(OC)c1 |(2.37,-7.05,;1.97,-5.56,;3.06,-4.47,;2.66,-2.99,;1.17,-2.59,;.77,-1.1,;-.71,-.7,;-1.8,-1.79,;1.86,-.01,;1.46,1.48,;2.37,2.72,;3.91,2.72,;1.46,3.97,;,3.49,;-1.46,3.97,;-1.86,5.46,;-3.35,5.85,;-4.44,4.76,;-5.93,4.37,;-4.84,3.28,;-.77,6.54,;.71,6.15,;1.19,4.68,;2.73,4.68,;3.21,6.15,;1.96,7.05,;-2.37,2.72,;-3.91,2.72,;-4.68,1.39,;-1.46,1.48,;,1.95,;3.35,-.41,;4.44,.68,;5.93,.28,;3.75,-1.9,)|
CCCN(C1CCOCC1)c1c(OC)nn2c(c(CC)sc12)-c1c(OC)cc(COC)cc1OC |(-5.96,3.86,;-4.45,3.54,;-3.42,4.68,;-1.91,4.36,;-.88,5.51,;.62,5.19,;1.65,6.33,;1.18,7.8,;-.33,8.12,;-1.36,6.97,;-1.44,2.9,;-2.34,1.65,;-3.88,1.65,;-4.65,.32,;-1.44,.41,;.03,.88,;1.49,.41,;2.4,1.65,;3.94,1.65,;4.71,2.99,;1.49,2.9,;.03,2.42,;1.89,-1.08,;.8,-2.17,;-.69,-1.77,;-1.77,-2.86,;1.2,-3.66,;2.69,-4.05,;3.09,-5.54,;2,-6.63,;2.4,-8.12,;3.78,-2.97,;3.38,-1.48,;4.47,-.39,;5.96,-.79,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4COCOC4)c(OC)nn23)c(OC)c1 |(2.38,-7.23,;1.98,-5.74,;3.07,-4.65,;2.67,-3.16,;1.18,-2.76,;.78,-1.28,;-.71,-.88,;-1.79,-1.97,;1.87,-.19,;1.47,1.3,;2.38,2.55,;1.47,3.79,;.01,3.32,;-1.46,3.79,;-1.93,5.26,;-3.44,5.58,;-4.47,4.43,;-5.93,3.96,;-4.79,2.93,;-.9,6.4,;.6,6.08,;1.08,4.62,;2.59,4.3,;3.62,5.44,;3.14,6.91,;1.63,7.23,;-2.36,2.55,;-3.9,2.55,;-4.67,1.21,;-1.46,1.3,;.01,1.78,;3.36,-.59,;4.45,.5,;5.93,.1,;3.76,-2.07,)|
CCCCN(CC1COCOC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-6.47,3.98,;-5.38,5.07,;-3.9,4.67,;-2.81,5.76,;-1.32,5.36,;-.23,6.45,;1.26,6.05,;1.66,4.57,;3.14,4.17,;4.23,5.26,;3.83,6.74,;2.35,7.14,;-.92,3.88,;-1.83,2.63,;-3.37,2.63,;-4.14,1.3,;-.92,1.38,;.54,1.86,;2.01,1.38,;2.91,2.63,;2.01,3.88,;.54,3.4,;2.41,-.1,;3.9,-.5,;4.98,.59,;6.47,.19,;4.29,-1.99,;3.2,-3.08,;3.6,-4.57,;2.51,-5.66,;2.91,-7.14,;1.72,-2.68,;1.32,-1.19,;-.17,-.79,;-1.26,-1.88,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C4CCOC4)c(OC)nn23)c(OC)c1 |(.44,-6.04,;1.93,-6.44,;3.02,-5.35,;2.62,-3.86,;1.13,-3.47,;.73,-1.98,;-.76,-1.58,;-1.84,-2.67,;1.82,-.89,;1.42,.6,;2.33,1.84,;1.42,3.09,;-.04,2.61,;-1.51,3.09,;-1.91,4.58,;-.82,5.67,;.67,5.27,;1.76,4.18,;2.16,5.67,;-3.39,4.98,;-4.64,4.07,;-5.88,4.98,;-5.41,6.44,;-3.87,6.44,;-2.41,1.84,;-3.95,1.84,;-4.72,.51,;-1.51,.6,;-.04,1.07,;3.31,-1.29,;4.4,-.2,;5.88,-.6,;3.71,-2.78,)|
CCCN(C1CCOC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(1.76,6.36,;.67,5.27,;-.82,5.67,;-1.91,4.58,;-3.39,4.98,;-4.64,4.07,;-5.88,4.98,;-5.41,6.44,;-3.87,6.44,;-1.51,3.09,;-2.41,1.84,;-3.95,1.84,;-4.72,.51,;-1.51,.6,;-.04,1.07,;1.42,.6,;2.33,1.84,;1.42,3.09,;-.04,2.61,;1.82,-.89,;3.31,-1.29,;4.4,-.2,;5.88,-.6,;3.71,-2.78,;2.62,-3.86,;3.02,-5.35,;1.93,-6.44,;.44,-6.04,;1.13,-3.47,;.73,-1.98,;-.76,-1.58,;-1.84,-2.67,)|
CCCN(CC1CCOC1)c1c(OC)nn2c(csc12)-c1cnc(cc1OC)N(C)C
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(C)cc1OC |(2,5.6,;.91,4.51,;-.57,4.91,;-1.66,3.82,;-3.15,4.22,;-3.55,5.71,;-5.04,6.11,;-6.13,5.02,;-5.73,3.53,;-4.24,3.13,;-1.27,2.33,;-2.17,1.09,;-3.71,1.09,;-4.48,-.24,;-1.27,-.16,;.2,.32,;1.66,-.16,;2.57,1.09,;1.66,2.33,;.2,1.86,;2.06,-1.64,;.97,-2.73,;-.51,-2.33,;-1.6,-3.42,;1.37,-4.22,;2.86,-4.62,;3.26,-6.11,;3.95,-3.53,;3.55,-2.04,;4.64,-.95,;6.13,-1.35,)|
COC(C)c1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOC4)c(OC)nn23)c(OC)c1 |(5.09,-5.42,;4,-6.51,;2.51,-6.11,;1.43,-7.2,;2.12,-4.62,;.63,-4.22,;.23,-2.73,;-1.26,-2.33,;-2.35,-3.42,;1.32,-1.64,;.92,-.16,;1.83,1.09,;.92,2.33,;-.54,1.86,;-2.01,2.33,;-2.41,3.82,;-3.9,4.22,;-4.29,5.71,;-3.9,7.2,;-5.38,6.8,;-1.32,4.91,;.17,4.51,;.64,3.05,;2.18,3.05,;2.66,4.51,;1.41,5.42,;-2.91,1.09,;-4.45,1.09,;-5.22,-.24,;-2.01,-.16,;-.54,.32,;2.81,-2.04,;3.9,-.95,;5.38,-1.35,;3.2,-3.53,)|
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(CC)cc1OC |(-5.93,3.38,;-4.44,2.99,;-3.35,4.08,;-1.86,3.68,;-.77,4.77,;.71,4.37,;1.8,5.46,;1.4,6.94,;-.08,7.34,;-1.17,6.25,;-1.46,2.19,;-2.37,.94,;-3.91,.94,;-4.68,-.39,;-1.46,-.3,;,.17,;1.46,-.3,;2.37,.94,;1.46,2.19,;,1.71,;1.86,-1.79,;3.35,-2.19,;4.44,-1.1,;5.93,-1.5,;3.75,-3.68,;2.66,-4.77,;3.06,-6.25,;1.97,-7.34,;1.17,-4.37,;.77,-2.88,;-.71,-2.48,;-1.8,-3.57,)|
CCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOC4)c(OC)nn23)c(OC)c1 |(1.97,-6.31,;3.06,-5.22,;2.66,-3.73,;1.17,-3.33,;.77,-1.84,;-.71,-1.45,;-1.8,-2.53,;1.86,-.76,;1.46,.73,;2.37,1.98,;1.46,3.22,;,2.75,;-1.46,3.22,;-1.86,4.71,;-3.35,5.11,;-4.44,4.02,;-5.93,3.62,;-4.84,2.53,;-.77,5.8,;.71,5.4,;1.19,3.94,;2.73,3.94,;3.21,5.4,;1.96,6.31,;-2.37,1.98,;-3.91,1.98,;-4.68,.64,;-1.46,.73,;,1.21,;3.35,-1.15,;4.44,-.07,;5.93,-.46,;3.75,-2.64,)|
CCCN(CCC)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(1.46,6.15,;.37,5.06,;-1.12,5.46,;-2.21,4.37,;-3.7,4.77,;-4.09,6.25,;-5.58,6.65,;-1.81,2.88,;-2.72,1.63,;-4.26,1.63,;-5.03,.3,;-1.81,.39,;-.35,.86,;1.12,.39,;2.02,1.63,;1.12,2.88,;-.35,2.4,;1.52,-1.1,;3.01,-1.5,;4.09,-.41,;5.58,-.81,;3.4,-2.99,;2.32,-4.08,;2.71,-5.56,;1.62,-6.65,;.14,-6.25,;.83,-3.68,;.43,-2.19,;-1.06,-1.79,;-2.15,-2.88,)|
COc1nn2c(csc2c1N(CC1CC1)C1CCOCC1)-c1c(OC)cc(C)cc1OC |(-5.22,-.94,;-4.45,.4,;-2.91,.4,;-2.01,-.85,;-.54,-.37,;.92,-.85,;1.83,.4,;.92,1.64,;-.54,1.17,;-2.01,1.64,;-2.41,3.13,;-3.9,3.53,;-4.29,5.02,;-3.9,6.51,;-5.38,6.11,;-1.32,4.22,;.17,3.82,;1.26,4.91,;.86,6.4,;-.63,6.8,;-1.72,5.71,;1.32,-2.33,;.23,-3.42,;-1.26,-3.03,;-2.35,-4.11,;.63,-4.91,;2.12,-5.31,;2.51,-6.8,;3.2,-4.22,;2.81,-2.73,;3.9,-1.64,;5.38,-2.04,)|
COc1nn2c(csc2c1N(CC1CC1)CC1CCOC1)-c1c(OC)cc(C)cc1OC |(-5.22,-.79,;-4.45,.54,;-2.91,.54,;-2.01,-.7,;-.54,-.23,;.92,-.7,;1.83,.54,;.92,1.79,;-.54,1.31,;-2.01,1.79,;-2.41,3.28,;-3.9,3.68,;-4.29,5.16,;-3.9,6.65,;-5.38,6.25,;-1.32,4.37,;.22,4.37,;1.13,3.12,;2.59,3.6,;2.59,5.14,;1.13,5.61,;1.32,-2.19,;2.81,-2.59,;3.9,-1.5,;5.38,-1.9,;3.2,-4.08,;2.12,-5.16,;2.51,-6.65,;.63,-4.77,;.23,-3.28,;-1.26,-2.88,;-2.35,-3.97,)|
COCCN(CC1CC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(28.52,-1.59,;26.98,-1.6,;26.23,-2.94,;24.69,-2.96,;23.93,-4.3,;22.41,-4.05,;21.44,-5.25,;19.99,-5.79,;21.19,-6.77,;24.47,-5.75,;23.59,-7.01,;22.06,-7.04,;21.32,-8.39,;24.52,-8.23,;25.98,-7.73,;27.46,-8.17,;28.33,-6.91,;27.4,-5.68,;25.95,-6.19,;28.2,-9.52,;27.42,-10.84,;25.87,-10.81,;25.08,-12.13,;28.16,-12.18,;29.7,-12.21,;30.45,-13.56,;31.99,-13.58,;32.73,-14.93,;30.49,-10.89,;29.74,-9.54,;30.53,-8.23,;32.07,-8.25,)|
CCCCN(CCOC)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(3.14,4.66,;1.66,5.06,;.57,3.97,;-.92,4.37,;-2.01,3.28,;-3.5,3.68,;-3.9,5.16,;-5.38,5.56,;-5.78,7.05,;-1.61,1.79,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;1.72,-2.19,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;3.6,-4.08,;2.51,-5.16,;2.91,-6.65,;4.4,-7.05,;5.49,-5.96,;1.03,-4.77,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CCC4)C4CCOC4)c(OC)nn23)c(OC)c1 |(5.59,-5.01,;4.5,-6.1,;3.02,-5.7,;2.62,-4.21,;1.13,-3.81,;.73,-2.32,;-.76,-1.92,;-1.84,-3.01,;1.82,-1.23,;1.42,.25,;2.33,1.5,;1.42,2.74,;-.04,2.27,;-1.51,2.74,;-1.91,4.23,;-.82,5.32,;.67,4.92,;1.44,3.59,;2.77,4.36,;2,5.69,;-3.39,4.63,;-4.64,3.73,;-5.88,4.63,;-5.41,6.1,;-3.87,6.1,;-2.41,1.5,;-3.95,1.5,;-4.72,.17,;-1.51,.25,;-.04,.73,;3.31,-1.63,;4.4,-.54,;5.88,-.94,;3.71,-3.12,)|
COc1nn2c(csc2c1N(CC1CC1)CC1CCOC1)-c1c(OC)cc(Cl)cc1OC |(-4.68,.1,;-3.91,1.43,;-2.37,1.43,;-1.46,.19,;,.66,;1.46,.19,;2.37,1.43,;1.46,2.68,;,2.2,;-1.46,2.68,;-1.86,4.17,;-3.35,4.57,;-4.44,3.48,;-5.93,3.08,;-4.84,1.99,;-.77,5.26,;.71,4.86,;1.19,3.39,;2.73,3.39,;3.21,4.86,;1.96,5.76,;1.86,-1.3,;3.35,-1.7,;4.44,-.61,;5.93,-1.01,;3.75,-3.19,;2.66,-4.28,;3.06,-5.76,;1.17,-3.88,;.77,-2.39,;-.71,-1.99,;-1.8,-3.08,)|
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(Cl)cc1OC |(-5.93,2.84,;-4.44,2.44,;-3.35,3.53,;-1.86,3.13,;-.77,4.22,;.71,3.82,;1.8,4.91,;1.4,6.4,;-.08,6.8,;-1.17,5.71,;-1.46,1.64,;-2.37,.4,;-3.91,.4,;-4.68,-.94,;-1.46,-.85,;,-.37,;1.46,-.85,;2.37,.4,;1.46,1.64,;,1.17,;1.86,-2.33,;.77,-3.42,;-.71,-3.03,;-1.8,-4.11,;1.17,-4.91,;2.66,-5.31,;3.06,-6.8,;3.75,-4.22,;3.35,-2.73,;4.44,-1.64,;5.93,-2.04,)|
COCCCN(CC1CC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(4.38,7.49,;3.29,6.4,;1.8,6.8,;.71,5.71,;-.77,6.11,;-1.86,5.02,;-3.35,5.42,;-4.44,4.33,;-5.93,3.93,;-4.84,2.84,;-1.46,3.53,;-2.37,2.28,;-3.91,2.28,;-4.68,.95,;-1.46,1.04,;,1.51,;1.46,1.04,;2.37,2.28,;1.46,3.53,;,3.05,;1.86,-.45,;3.35,-.85,;4.44,.24,;5.93,-.16,;3.75,-2.33,;2.66,-3.42,;3.06,-4.91,;1.97,-6,;2.37,-7.49,;1.17,-3.03,;.77,-1.54,;-.71,-1.14,;-1.8,-2.23,)|
CCCN(C1CCCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.58,5.78,;-4.09,5.39,;-3.7,3.9,;-2.21,3.5,;-1.12,4.59,;.33,4.08,;1.64,4.9,;1.81,6.43,;.72,7.52,;-.81,7.35,;-1.63,6.04,;-1.81,2.01,;-2.72,.77,;-4.26,.77,;-5.03,-.57,;-1.81,-.48,;-.35,-0,;1.12,-.48,;2.02,.77,;1.12,2.01,;-.35,1.54,;1.52,-1.97,;3.01,-2.37,;4.09,-1.28,;5.58,-1.68,;3.4,-3.85,;2.32,-4.94,;2.71,-6.43,;1.62,-7.52,;.14,-7.12,;.83,-4.54,;.43,-3.06,;-1.06,-2.66,;-2.15,-3.75,)|
CCOCc1cc(OC)c(-c2csc3c(N(CCCF)C4CCOCC4)c(OC)nn23)c(OC)c1 |(1.82,-8.63,;2.91,-7.54,;2.51,-6.05,;3.6,-4.96,;3.2,-3.48,;1.72,-3.08,;1.32,-1.59,;-.17,-1.19,;-1.26,-2.28,;2.41,-.5,;2.01,.99,;2.91,2.23,;2.01,3.48,;.54,3,;-.92,3.48,;-1.32,4.96,;-2.81,5.36,;-3.9,4.27,;-5.38,4.67,;-6.47,3.58,;-.23,6.05,;1.26,5.66,;2.35,6.74,;1.95,8.23,;.46,8.63,;-.63,7.54,;-1.83,2.23,;-3.37,2.23,;-4.14,.9,;-.92,.99,;.54,1.46,;3.9,-.9,;4.98,.19,;6.47,-.21,;4.29,-2.39,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC(F)(F)C4)CC4CCOC4)c(OC)nn23)c(OC)c1 |(3.16,-7.05,;2.77,-5.56,;3.86,-4.47,;3.46,-2.99,;4.55,-1.9,;4.15,-.41,;5.24,.68,;6.72,.28,;2.66,-.01,;2.26,1.48,;3.17,2.72,;2.26,3.97,;.8,3.49,;-.67,3.97,;-1.07,5.46,;-2.55,5.85,;-3.64,4.76,;-5.18,4.76,;-5.18,3.22,;-6.27,2.14,;-6.72,3.22,;-3.64,3.22,;.02,6.54,;1.51,6.15,;1.99,4.68,;3.53,4.68,;4,6.15,;2.76,7.05,;-1.57,2.72,;-3.11,2.72,;-3.88,1.39,;-.67,1.48,;.8,1.95,;1.57,-1.1,;.08,-.7,;-1.01,-1.79,;1.97,-2.59,)|
CCCN(CCCOC)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.93,4.73,;-4.44,4.33,;-3.35,5.42,;-1.86,5.02,;-.77,6.11,;.71,5.71,;1.8,6.8,;3.29,6.4,;4.38,7.49,;-1.46,3.53,;-2.37,2.28,;-3.91,2.28,;-4.68,.95,;-1.46,1.04,;,1.51,;1.46,1.04,;2.37,2.28,;1.46,3.53,;,3.05,;1.86,-.45,;.77,-1.54,;-.71,-1.14,;-1.8,-2.23,;1.17,-3.03,;2.66,-3.42,;3.06,-4.91,;1.97,-6,;2.37,-7.49,;3.75,-2.33,;3.35,-.85,;4.44,.24,;5.93,-.16,)|
CCOCc1cc(OC)c(-c2csc3c(N(CCOC)CC4CC4)c(OC)nn23)c(OC)c1 |(1.28,-7.69,;2.37,-6.6,;1.97,-5.11,;3.06,-4.02,;2.66,-2.53,;3.75,-1.45,;3.35,.04,;4.44,1.13,;5.93,.73,;1.86,.44,;1.46,1.93,;2.37,3.17,;1.46,4.42,;,3.94,;-1.46,4.42,;-1.86,5.91,;-.77,7,;.71,6.6,;1.8,7.69,;3.29,7.29,;-3.35,6.31,;-4.44,5.22,;-5.93,4.82,;-4.84,3.73,;-2.37,3.17,;-3.91,3.17,;-4.68,1.84,;-1.46,1.93,;,2.4,;.77,-.65,;-.71,-.25,;-1.8,-1.34,;1.17,-2.14,)|
CCCCN(CCOC)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(3.83,7.29,;2.35,7.69,;1.26,6.6,;-.23,7,;-1.32,5.91,;-2.81,6.31,;-3.9,5.22,;-5.38,5.62,;-6.47,4.53,;-.92,4.42,;-1.83,3.17,;-3.37,3.17,;-4.14,1.84,;-.92,1.93,;.54,2.4,;2.01,1.93,;2.91,3.17,;2.01,4.42,;.54,3.94,;2.41,.44,;3.9,.04,;4.98,1.13,;6.47,.73,;4.29,-1.45,;3.2,-2.53,;3.6,-4.02,;2.51,-5.11,;2.91,-6.6,;1.82,-7.69,;1.72,-2.14,;1.32,-.65,;-.17,-.25,;-1.26,-1.34,)|
CCOCc1cc(OC)c(-c2csc3c(N(CCCOC)CC4CC4)c(OC)nn23)c(OC)c1 |(1.28,-8.03,;2.37,-6.94,;1.97,-5.46,;3.06,-4.37,;2.66,-2.88,;3.75,-1.79,;3.35,-.3,;4.44,.79,;5.93,.39,;1.86,.1,;1.46,1.58,;2.37,2.83,;1.46,4.08,;,3.6,;-1.46,4.08,;-1.86,5.56,;-.77,6.65,;.71,6.25,;1.8,7.34,;3.29,6.94,;4.38,8.03,;-3.35,5.96,;-4.44,4.87,;-5.93,4.47,;-4.84,3.38,;-2.37,2.83,;-3.91,2.83,;-4.68,1.5,;-1.46,1.58,;,2.06,;.77,-.99,;-.71,-.59,;-1.8,-1.68,;1.17,-2.48,)|
COCc1cc(OC)c(-c2csc3c(N(CC(C)C)C4CCOC4)c(OC)nn23)c(OC)c1 |(.14,-6.66,;1.62,-7.06,;2.71,-5.97,;2.32,-4.49,;3.4,-3.4,;3.01,-1.91,;4.09,-.82,;5.58,-1.22,;1.52,-1.51,;1.12,-.02,;2.02,1.22,;1.12,2.47,;-.35,1.99,;-1.81,2.47,;-2.21,3.96,;-3.7,4.36,;-4.09,5.84,;-3.01,6.93,;-5.58,6.24,;-1.12,5.05,;.35,4.57,;1.25,5.82,;.35,7.06,;-1.12,6.59,;-2.72,1.22,;-4.26,1.22,;-5.03,-.11,;-1.81,-.02,;-.35,.45,;.43,-2.6,;-1.06,-2.2,;-2.15,-3.29,;.83,-4.09,)|
CCCN(Cc1ccncc1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.58,6.58,;-4.09,6.18,;-3.7,4.7,;-2.21,4.3,;-1.12,5.39,;.42,5.39,;1.19,4.05,;2.73,4.05,;3.5,5.39,;2.73,6.72,;1.19,6.72,;-1.81,2.81,;-2.72,1.56,;-4.26,1.56,;-5.03,.23,;-1.81,.32,;-.35,.79,;1.12,.32,;2.02,1.56,;1.12,2.81,;-.35,2.33,;1.52,-1.17,;3.01,-1.57,;4.09,-.48,;5.58,-.88,;3.4,-3.05,;2.32,-4.14,;2.71,-5.63,;1.62,-6.72,;.14,-6.32,;.83,-3.75,;.43,-2.26,;-1.06,-1.86,;-2.15,-2.95,)|
CCOCCN(CC1CC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-7.22,3.64,;-5.73,3.24,;-4.64,4.33,;-3.15,3.93,;-2.06,5.02,;-.57,4.62,;.51,5.71,;2,5.31,;3.09,4.22,;3.49,5.71,;-.18,3.13,;-1.08,1.89,;-2.62,1.89,;-3.39,.55,;-.18,.64,;1.29,1.12,;2.75,.64,;3.66,1.89,;2.75,3.13,;1.29,2.66,;3.15,-.85,;4.64,-1.25,;5.73,-.16,;7.22,-.56,;5.04,-2.73,;3.95,-3.82,;4.35,-5.31,;5.83,-5.71,;6.92,-4.62,;2.46,-3.42,;2.06,-1.94,;.57,-1.54,;-.51,-2.63,)|
CCCN(C1CCOC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(-6.53,3.14,;-5.04,2.74,;-3.95,3.83,;-2.46,3.43,;-1.37,4.52,;-1.85,5.99,;-.6,6.89,;.64,5.99,;.17,4.52,;-2.06,1.95,;-2.97,.7,;-4.51,.7,;-5.28,-.63,;-2.06,-.54,;-.6,-.07,;.87,-.54,;1.77,.7,;.87,1.95,;-.6,1.47,;1.27,-2.03,;2.75,-2.43,;3.84,-1.34,;5.33,-1.74,;3.15,-3.92,;2.06,-5.01,;2.46,-6.49,;3.95,-6.89,;5.04,-5.8,;6.53,-6.2,;.57,-4.61,;.18,-3.12,;-1.31,-2.72,;-2.4,-3.81,)|
CCOCc1cc(OC)c(-c2csc3c(N(CC4CCC4)C4CCOC4)c(OC)nn23)c(OC)c1 |(6.1,-6.47,;4.62,-6.07,;3.53,-7.16,;2.04,-6.76,;1.64,-5.27,;2.73,-4.18,;2.33,-2.7,;3.42,-1.61,;4.91,-2.01,;.84,-2.3,;.44,-.81,;1.35,.44,;.44,1.68,;-1.02,1.21,;-2.48,1.68,;-2.88,3.17,;-4.37,3.57,;-4.77,5.06,;-4,6.39,;-5.33,7.16,;-6.1,5.83,;-1.79,4.26,;-2.27,5.72,;-1.02,6.63,;.22,5.72,;-.25,4.26,;-3.39,.44,;-4.93,.44,;-5.7,-.9,;-2.48,-.81,;-1.02,-.33,;-.25,-3.39,;-1.73,-2.99,;-2.82,-4.08,;.15,-4.87,)|
COCCN(CC1CCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-6.47,3.05,;-5.38,4.14,;-3.9,3.74,;-2.81,4.83,;-1.32,4.43,;-.23,5.52,;1.26,5.12,;2.03,3.79,;3.36,4.56,;2.59,5.89,;-.92,2.95,;-1.83,1.7,;-3.37,1.7,;-4.14,.37,;-.92,.45,;.54,.93,;2.01,.45,;2.91,1.7,;2.01,2.95,;.54,2.47,;2.41,-1.03,;3.9,-1.43,;4.98,-.34,;6.47,-.74,;4.29,-2.92,;3.2,-4.01,;3.6,-5.5,;5.09,-5.89,;6.18,-4.81,;1.72,-3.61,;1.32,-2.12,;-.17,-1.72,;-1.26,-2.81,)|
COCc1cc(OC)c(-c2csc3c(N(CCOC(C)C)CC4CC4)c(OC)nn23)c(OC)c1 |(6.92,-4.62,;5.83,-5.71,;4.35,-5.31,;3.95,-3.82,;5.04,-2.73,;4.64,-1.25,;5.73,-.16,;7.22,-.56,;3.15,-.85,;2.75,.64,;3.66,1.89,;2.75,3.13,;1.29,2.66,;-.18,3.13,;-.57,4.62,;-2.06,5.02,;-3.15,3.93,;-4.64,4.33,;-5.73,3.24,;-7.22,3.64,;-5.33,1.75,;.51,5.71,;2,5.31,;3.09,4.22,;3.49,5.71,;-1.08,1.89,;-2.62,1.89,;-3.39,.55,;-.18,.64,;1.29,1.12,;2.06,-1.94,;.57,-1.54,;-.51,-2.63,;2.46,-3.42,)|
COCc1cc(OC)c(-c2csc3c(N(CCC(C)OC)CC4CC4)c(OC)nn23)c(OC)c1 |(6.92,-4.67,;5.83,-5.76,;4.35,-5.36,;3.95,-3.88,;5.04,-2.79,;4.64,-1.3,;5.73,-.21,;7.22,-.61,;3.15,-.9,;2.75,.59,;3.66,1.83,;2.75,3.08,;1.29,2.6,;-.18,3.08,;-.57,4.57,;-2.06,4.96,;-3.15,3.88,;-4.64,4.27,;-5.04,5.76,;-5.73,3.19,;-7.22,3.58,;.51,5.66,;2,5.26,;3.09,4.17,;3.49,5.66,;-1.08,1.83,;-2.62,1.83,;-3.39,.5,;-.18,.59,;1.29,1.06,;2.06,-1.99,;.57,-1.59,;-.51,-2.68,;2.46,-3.48,)|
COCc1cc(OC)c(-c2csc3c(N(CC(C)OC)CC4CC4)c(OC)nn23)c(OC)c1 |(5.49,-5.96,;4.4,-7.05,;2.91,-6.65,;2.51,-5.16,;3.6,-4.08,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;1.72,-2.19,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;-1.61,1.79,;-2.01,3.28,;-3.5,3.68,;-3.9,5.16,;-2.81,6.25,;-5.38,5.56,;-5.78,7.05,;-.92,4.37,;.57,3.97,;1.66,2.88,;2.05,4.37,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,;1.03,-4.77,)|
COCCN(C1CCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-6.47,3.14,;-5.38,4.23,;-3.9,3.83,;-2.81,4.92,;-1.32,4.52,;-.23,5.61,;1.31,5.61,;1.79,7.08,;.54,7.98,;-.71,7.08,;-.92,3.04,;-1.83,1.79,;-3.37,1.79,;-4.14,.46,;-.92,.54,;.54,1.02,;2.01,.54,;2.91,1.79,;2.01,3.04,;.54,2.56,;2.41,-.94,;3.9,-1.34,;4.98,-.25,;6.47,-.65,;4.29,-2.83,;3.2,-3.92,;3.6,-5.41,;2.51,-6.49,;2.91,-7.98,;1.72,-3.52,;1.32,-2.03,;-.17,-1.63,;-1.26,-2.72,)|
COCCN(C1CCCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-6.47,3.04,;-5.38,4.13,;-3.9,3.73,;-2.81,4.82,;-1.32,4.42,;-.23,5.51,;1.26,5.11,;2.35,6.2,;1.95,7.69,;.46,8.09,;-.63,7,;-.92,2.93,;-1.83,1.69,;-3.37,1.69,;-4.14,.35,;-.92,.44,;.54,.92,;2.01,.44,;2.91,1.69,;2.01,2.93,;.54,2.46,;2.41,-1.05,;3.9,-1.45,;4.98,-.36,;6.47,-.75,;4.29,-2.93,;3.2,-4.02,;3.6,-5.51,;2.51,-6.6,;2.91,-8.09,;1.72,-3.62,;1.32,-2.14,;-.17,-1.74,;-1.26,-2.83,)|
COCCN(CC(C)C)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.78,7.05,;-5.38,5.56,;-3.9,5.16,;-3.5,3.68,;-2.01,3.28,;-.92,4.37,;.57,3.97,;1.66,5.06,;1.66,2.88,;-1.61,1.79,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;1.72,-2.19,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;3.6,-4.08,;2.51,-5.16,;2.91,-6.65,;4.4,-7.05,;5.49,-5.96,;1.03,-4.77,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,)|
COCCN(C1CCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.78,7.05,;-5.38,5.56,;-3.9,5.16,;-3.5,3.68,;-2.01,3.28,;-.92,4.37,;.57,4.77,;.17,6.25,;-1.32,5.85,;-1.61,1.79,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;1.72,-2.19,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;3.6,-4.08,;2.51,-5.16,;2.91,-6.65,;4.4,-7.05,;5.49,-5.96,;1.03,-4.77,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,)|
CCN(C1CCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(.53,5.73,;-1.01,5.73,;-2.1,4.64,;-3.59,5.04,;-4.36,6.38,;-5.69,5.61,;-4.92,4.27,;-1.7,3.16,;-2.61,1.91,;-4.15,1.91,;-4.92,.58,;-1.7,.66,;-.24,1.14,;1.23,.66,;2.13,1.91,;1.23,3.16,;-.24,2.68,;1.63,-.82,;3.11,-1.22,;4.2,-.13,;5.69,-.53,;3.51,-2.71,;2.42,-3.8,;2.82,-5.29,;1.73,-6.38,;.25,-5.98,;.94,-3.4,;.54,-1.91,;-.95,-1.51,;-2.04,-2.6,)|
COc1nn2c(csc2c1N(CC1CC1)CC1CCOC1)-c1c(OC)cc(cc1OC)C1CC1 |(-4.68,.84,;-3.91,2.18,;-2.37,2.18,;-1.46,.93,;,1.41,;1.46,.93,;2.37,2.18,;1.46,3.42,;,2.95,;-1.46,3.42,;-1.86,4.91,;-3.35,5.31,;-4.44,4.22,;-5.93,3.82,;-4.84,2.73,;-.77,6,;.71,5.6,;1.19,4.14,;2.73,4.14,;3.21,5.6,;1.96,6.51,;1.86,-.56,;3.35,-.95,;4.44,.13,;5.93,-.26,;3.75,-2.44,;2.66,-3.53,;1.17,-3.13,;.77,-1.65,;-.71,-1.25,;-1.8,-2.34,;3.06,-5.02,;2.66,-6.51,;4.15,-6.11,)|
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C1CC1 |(-5.93,3.58,;-4.44,3.19,;-3.35,4.27,;-1.86,3.88,;-.77,4.96,;.71,4.57,;1.8,5.66,;1.4,7.14,;-.08,7.54,;-1.17,6.45,;-1.46,2.39,;-2.37,1.14,;-3.91,1.14,;-4.68,-.19,;-1.46,-.1,;,.37,;1.46,-.1,;2.37,1.14,;1.46,2.39,;,1.91,;1.86,-1.59,;3.35,-1.99,;4.44,-.9,;5.93,-1.3,;3.75,-3.48,;2.66,-4.57,;1.17,-4.17,;.77,-2.68,;-.71,-2.28,;-1.8,-3.37,;3.06,-6.05,;2.66,-7.54,;4.15,-7.14,)|
COCCCN(C1CCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-7.22,3.96,;-5.73,3.56,;-4.64,4.65,;-3.15,4.25,;-2.06,5.34,;-.57,4.94,;.51,6.03,;2.05,6.03,;2.05,7.57,;.51,7.57,;-.18,3.45,;-1.08,2.21,;-2.62,2.21,;-3.39,.87,;-.18,.96,;1.29,1.44,;2.75,.96,;3.66,2.21,;2.75,3.45,;1.29,2.98,;3.15,-.53,;4.64,-.93,;5.73,.16,;7.22,-.24,;5.04,-2.41,;3.95,-3.5,;4.35,-4.99,;3.26,-6.08,;3.66,-7.57,;2.46,-3.1,;2.06,-1.62,;.57,-1.22,;-.51,-2.31,)|
COCCCN(C1CCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-7.22,3.54,;-5.73,3.15,;-4.64,4.23,;-3.15,3.84,;-2.06,4.93,;-.57,4.53,;.51,5.62,;2.05,5.6,;2.54,7.06,;1.3,7.98,;.05,7.08,;-.18,3.04,;-1.08,1.79,;-2.62,1.79,;-3.39,.46,;-.18,.55,;1.29,1.02,;2.75,.55,;3.66,1.79,;2.75,3.04,;1.29,2.56,;3.15,-.94,;2.06,-2.03,;.57,-1.63,;-.51,-2.72,;2.46,-3.52,;3.95,-3.92,;4.35,-5.4,;3.26,-6.49,;3.66,-7.98,;5.04,-2.83,;4.64,-1.34,;5.73,-.25,;7.22,-.65,)|
CCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C1CC1 |(-5.06,3.19,;-3.97,4.27,;-2.49,3.88,;-1.4,4.96,;.09,4.57,;1.18,5.66,;.78,7.14,;-.71,7.54,;-1.8,6.45,;-2.09,2.39,;-2.99,1.14,;-4.53,1.14,;-5.3,-.19,;-2.09,-.1,;-.62,.37,;.84,-.1,;1.75,1.14,;.84,2.39,;-.62,1.91,;1.24,-1.59,;2.73,-1.99,;3.82,-.9,;5.3,-1.3,;3.13,-3.48,;2.04,-4.57,;.55,-4.17,;.15,-2.68,;-1.34,-2.28,;-2.43,-3.37,;2.44,-6.05,;2.04,-7.54,;3.52,-7.14,)|
CCN(C1CCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(.72,5.67,;-.82,5.67,;-1.91,4.58,;-3.39,4.98,;-3.87,6.44,;-5.41,6.44,;-5.88,4.98,;-4.64,4.07,;-1.51,3.09,;-2.41,1.84,;-3.95,1.84,;-4.72,.51,;-1.51,.6,;-.04,1.07,;1.42,.6,;2.33,1.84,;1.42,3.09,;-.04,2.61,;1.82,-.89,;3.31,-1.29,;4.4,-.2,;5.88,-.6,;3.71,-2.78,;2.62,-3.86,;3.02,-5.35,;1.93,-6.44,;.44,-6.04,;1.13,-3.47,;.73,-1.98,;-.76,-1.58,;-1.84,-2.67,)|
COCc1cc(OC)c(-c2csc3c(N(C4CCC4)C4CCOC4)c(OC)nn23)c(OC)c1 |(5.58,-5.85,;4.5,-6.94,;3.01,-6.54,;2.61,-5.05,;1.12,-4.65,;.72,-3.17,;-.76,-2.77,;-1.85,-3.86,;1.81,-2.08,;1.41,-.59,;2.32,.66,;1.41,1.9,;-.05,1.43,;-1.52,1.9,;-2.29,3.24,;-3.77,3.63,;-4.54,4.97,;-5.88,4.2,;-5.11,2.86,;-1.52,4.57,;.02,4.57,;.5,6.03,;-.75,6.94,;-1.99,6.03,;-2.42,.66,;-3.96,.66,;-4.73,-.68,;-1.52,-.59,;-.05,-.11,;3.3,-2.48,;4.39,-1.39,;5.88,-1.79,;3.7,-3.96,)|
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC(C)C)cc1OC |(-5.93,4.67,;-4.44,4.27,;-3.35,5.36,;-1.86,4.96,;-.77,6.05,;.71,5.66,;1.8,6.74,;1.4,8.23,;-.08,8.63,;-1.17,7.54,;-1.46,3.48,;-2.37,2.23,;-3.91,2.23,;-4.68,.9,;-1.46,.99,;,1.46,;1.46,.99,;2.37,2.23,;1.46,3.48,;,3,;1.86,-.5,;3.35,-.9,;4.44,.19,;5.93,-.21,;3.75,-2.39,;2.66,-3.48,;3.06,-4.96,;1.97,-6.05,;2.37,-7.54,;1.28,-8.63,;3.86,-7.94,;1.17,-3.08,;.77,-1.59,;-.71,-1.19,;-1.8,-2.28,)|
COCCCN(C1CCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C1CC1 |(-7.22,3,;-5.73,2.6,;-4.64,3.69,;-3.15,3.29,;-2.06,4.38,;-.57,3.98,;.51,5.07,;2.05,5.07,;2.53,6.53,;1.28,7.44,;.04,6.53,;-.18,2.49,;-1.08,1.25,;-2.62,1.25,;-3.39,-.09,;-.18,-0,;1.29,.48,;2.75,-0,;3.66,1.25,;2.75,2.49,;1.29,2.02,;3.15,-1.49,;2.06,-2.58,;.57,-2.18,;-.51,-3.27,;2.46,-4.06,;3.95,-4.46,;5.04,-3.37,;4.64,-1.89,;5.73,-.8,;7.22,-1.2,;4.35,-5.95,;3.95,-7.44,;5.44,-7.04,)|
COCc1cc(OC)c(-c2csc3c(N(CCCF)Cc4ccncc4)c(OC)nn23)c(OC)c1 |(.34,-7.54,;1.82,-7.94,;2.91,-6.85,;2.51,-5.36,;3.6,-4.27,;3.2,-2.79,;4.29,-1.7,;5.78,-2.1,;1.72,-2.39,;1.32,-.9,;2.22,.35,;1.32,1.59,;-.15,1.12,;-1.61,1.59,;-2.01,3.08,;-.92,4.17,;.57,3.77,;1.66,4.86,;3.14,4.46,;-3.5,3.48,;-3.9,4.96,;-2.81,6.05,;-3.2,7.54,;-4.69,7.94,;-5.78,6.85,;-5.38,5.36,;-2.52,.35,;-4.06,.35,;-4.83,-.99,;-1.61,-.9,;-.15,-.42,;.63,-3.48,;-.86,-3.08,;-1.95,-4.17,;1.03,-4.96,)|
COCc1cc(OC)c(-c2csc3c(N(CCCF)Cc4cccnc4)c(OC)nn23)c(OC)c1 |(.34,-7.54,;1.82,-7.94,;2.91,-6.85,;2.51,-5.36,;1.03,-4.96,;.63,-3.48,;-.86,-3.08,;-1.95,-4.17,;1.72,-2.39,;1.32,-.9,;2.22,.35,;1.32,1.59,;-.15,1.12,;-1.61,1.59,;-2.01,3.08,;-.92,4.17,;.57,3.77,;1.66,4.86,;3.14,4.46,;-3.5,3.48,;-3.9,4.96,;-2.81,6.05,;-3.2,7.54,;-4.69,7.94,;-5.78,6.85,;-5.38,5.36,;-2.52,.35,;-4.06,.35,;-4.83,-.99,;-1.61,-.9,;-.15,-.42,;3.2,-2.79,;4.29,-1.7,;5.78,-2.1,;3.6,-4.27,)|
COCc1cc(OC)c(-c2csc3c(N(CCCF)Cc4ccccn4)c(OC)nn23)c(OC)c1 |(.34,-7.54,;1.82,-7.94,;2.91,-6.85,;2.51,-5.36,;3.6,-4.27,;3.2,-2.79,;4.29,-1.7,;5.78,-2.1,;1.72,-2.39,;1.32,-.9,;2.22,.35,;1.32,1.59,;-.15,1.12,;-1.61,1.59,;-2.01,3.08,;-.92,4.17,;.57,3.77,;1.66,4.86,;3.14,4.46,;-3.5,3.48,;-3.9,4.96,;-2.81,6.05,;-3.2,7.54,;-4.69,7.94,;-5.78,6.85,;-5.38,5.36,;-2.52,.35,;-4.06,.35,;-4.83,-.99,;-1.61,-.9,;-.15,-.42,;.63,-3.48,;-.86,-3.08,;-1.95,-4.17,;1.03,-4.96,)|
COCCCN(C1CCCC1)c1c(OC)nn2c(csc12)-c1c(Cl)cc(COC)cc1OC |(-6.47,3.54,;-4.98,3.14,;-3.9,4.23,;-2.41,3.83,;-1.32,4.92,;.17,4.52,;1.26,5.61,;2.8,5.61,;3.27,7.08,;2.03,7.98,;.78,7.08,;.57,3.04,;-.34,1.79,;-1.88,1.79,;-2.65,.46,;.57,.54,;2.03,1.02,;3.5,.54,;4.4,1.79,;3.5,3.04,;2.03,2.56,;3.9,-.94,;5.38,-1.34,;6.47,-.25,;5.78,-2.83,;4.69,-3.92,;5.09,-5.41,;4,-6.5,;4.4,-7.98,;3.2,-3.52,;2.81,-2.03,;1.32,-1.63,;.23,-2.72,)|
COCCN(C1CCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C#N |(-5.88,7.56,;-5.48,6.07,;-3.99,5.68,;-3.59,4.19,;-2.1,3.79,;-1.02,4.88,;.52,4.88,;1,6.34,;-.25,7.25,;-1.49,6.34,;-1.52,2.37,;-2.42,1.12,;-3.96,1.12,;-4.73,-.21,;-1.52,-.12,;-.05,.35,;1.41,-.12,;2.32,1.12,;1.41,2.37,;-.05,1.89,;1.81,-1.61,;.72,-2.7,;-.76,-2.3,;-1.85,-3.39,;1.12,-4.19,;2.61,-4.59,;3.7,-3.5,;3.3,-2.01,;4.39,-.92,;5.88,-1.32,;3.01,-6.07,;3.41,-7.56,)|
CCCN(C1CCOCC1)c1c(OCC)nn2c(csc12)-c1c(OC)cc(OCC)cc1OC |(-5.09,5.96,;-3.6,5.56,;-3.2,4.08,;-1.72,3.68,;-.63,4.77,;.86,4.37,;1.95,5.46,;1.55,6.94,;.06,7.34,;-1.03,6.25,;-1.32,2.19,;-2.22,.94,;-3.76,.94,;-4.53,-.39,;-6.07,-.39,;-1.32,-.3,;.15,.17,;1.61,-.3,;2.52,.94,;1.61,2.19,;.15,1.71,;2.01,-1.79,;.92,-2.88,;-.57,-2.48,;-1.66,-3.57,;1.32,-4.37,;2.81,-4.77,;3.21,-6.25,;2.12,-7.34,;.63,-6.94,;3.9,-3.68,;3.5,-2.19,;4.59,-1.1,;6.07,-1.5,)|
CCOc1nn2c(csc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-6.07,.19,;-4.53,.19,;-3.76,1.52,;-2.22,1.52,;-1.32,.27,;.15,.75,;1.61,.27,;2.52,1.52,;1.61,2.76,;.15,2.29,;-1.32,2.76,;-2.09,4.1,;-3.58,4.5,;-3.97,5.98,;-3.58,7.47,;-5.31,6.75,;-1.32,5.43,;.22,5.43,;.99,6.77,;2.53,6.77,;3.3,5.43,;2.53,4.1,;.99,4.1,;2.01,-1.21,;3.5,-1.61,;4.59,-.52,;6.07,-.92,;3.9,-3.1,;2.81,-4.19,;3.21,-5.68,;2.12,-6.77,;.63,-6.37,;1.32,-3.79,;.92,-2.3,;-.57,-1.9,;-1.66,-2.99,)|
CCCCN(C1CCOCC1)c1c(OCC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(3.49,5.75,;2,6.15,;.91,5.06,;-.57,5.46,;-1.66,4.37,;-3.15,4.77,;-3.55,6.25,;-5.04,6.65,;-6.13,5.56,;-5.73,4.08,;-4.24,3.68,;-1.27,2.88,;-2.17,1.63,;-3.71,1.63,;-4.48,.3,;-6.02,.3,;-1.27,.39,;.2,.86,;1.66,.39,;2.57,1.63,;1.66,2.88,;.2,2.4,;2.06,-1.1,;3.55,-1.5,;4.64,-.41,;6.13,-.81,;3.95,-2.99,;2.86,-4.08,;3.26,-5.56,;2.17,-6.65,;.68,-6.25,;1.37,-3.68,;.97,-2.19,;-.51,-1.79,;-1.6,-2.88,)|
CCCCN(C1CCOCC1)c1c(OCC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(3.49,5.75,;2,6.15,;.91,5.06,;-.57,5.46,;-1.66,4.37,;-3.15,4.77,;-4.24,3.68,;-5.73,4.08,;-6.13,5.56,;-5.04,6.65,;-3.55,6.25,;-1.27,2.88,;-2.17,1.63,;-3.71,1.63,;-4.48,.3,;-6.02,.3,;-1.27,.39,;.2,.86,;1.66,.39,;2.57,1.63,;1.66,2.88,;.2,2.4,;2.06,-1.1,;.97,-2.19,;-.51,-1.79,;-1.6,-2.88,;1.37,-3.68,;2.86,-4.08,;3.26,-5.56,;2.17,-6.65,;.68,-6.25,;3.95,-2.99,;3.55,-1.5,;4.64,-.41,;6.13,-.81,)|
CCCN(CC1CCOC1)c1c(OCC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.09,6.63,;-3.6,6.23,;-3.2,4.74,;-1.72,4.34,;-.63,5.43,;.91,5.43,;1.82,4.18,;3.28,4.66,;3.28,6.2,;1.82,6.68,;-1.32,2.85,;-2.22,1.61,;-3.76,1.61,;-4.53,.27,;-6.07,.27,;-1.32,.36,;.15,.84,;1.61,.36,;2.52,1.61,;1.61,2.85,;.15,2.38,;2.01,-1.13,;.92,-2.21,;-.57,-1.82,;-1.66,-2.9,;1.32,-3.7,;2.81,-4.1,;3.21,-5.59,;2.12,-6.68,;.63,-6.28,;3.9,-3.01,;3.5,-1.52,;4.59,-.43,;6.07,-.83,)|
CCCN(c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC)c1ccccn1 |(-5.58,5.96,;-4.09,5.56,;-3.7,4.08,;-2.21,3.68,;-1.81,2.19,;-2.72,.94,;-4.26,.94,;-5.03,-.39,;-1.81,-.3,;-.35,.17,;1.12,-.3,;2.02,.94,;1.12,2.19,;-.35,1.71,;1.52,-1.79,;3.01,-2.19,;4.09,-1.1,;5.58,-1.5,;3.4,-3.68,;2.32,-4.77,;2.71,-6.25,;1.62,-7.34,;.14,-6.94,;.83,-4.37,;.43,-2.88,;-1.06,-2.48,;-2.15,-3.57,;-1.12,4.77,;-1.52,6.25,;-.43,7.34,;1.06,6.94,;1.46,5.46,;.37,4.37,)|
CCCN(c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC)c1cccnc1 |(-5.58,5.96,;-4.09,5.56,;-3.7,4.08,;-2.21,3.68,;-1.81,2.19,;-2.72,.94,;-4.26,.94,;-5.03,-.39,;-1.81,-.3,;-.35,.17,;1.12,-.3,;2.02,.94,;1.12,2.19,;-.35,1.71,;1.52,-1.79,;.43,-2.88,;-1.06,-2.48,;-2.15,-3.57,;.83,-4.37,;2.32,-4.77,;2.71,-6.25,;1.62,-7.34,;.14,-6.94,;3.4,-3.68,;3.01,-2.19,;4.09,-1.1,;5.58,-1.5,;-1.12,4.77,;-1.52,6.25,;-.43,7.34,;1.06,6.94,;1.46,5.46,;.37,4.37,)|
COCc1cc(OC)c(-c2csc3c(N(CCCF)c4cccnc4)c(OC)nn23)c(OC)c1 |(.68,-6.25,;2.17,-6.65,;3.26,-5.56,;2.86,-4.08,;1.37,-3.68,;.97,-2.19,;-.51,-1.79,;-1.6,-2.88,;2.06,-1.1,;1.66,.39,;2.57,1.63,;1.66,2.88,;.2,2.4,;-1.27,2.88,;-1.66,4.37,;-.57,5.46,;.91,5.06,;2,6.15,;3.49,5.75,;-3.15,4.77,;-4.24,3.68,;-5.73,4.08,;-6.13,5.56,;-5.04,6.65,;-3.55,6.25,;-2.17,1.63,;-3.71,1.63,;-4.48,.3,;-1.27,.39,;.2,.86,;3.55,-1.5,;4.64,-.41,;6.13,-.81,;3.95,-2.99,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)c4cccnc4)c(OC)nn23)c(OC)c1 |(.68,-6.25,;2.17,-6.65,;3.26,-5.56,;2.86,-4.08,;3.95,-2.99,;3.55,-1.5,;4.64,-.41,;6.13,-.81,;2.06,-1.1,;1.66,.39,;2.57,1.63,;1.66,2.88,;.2,2.4,;-1.27,2.88,;-1.66,4.37,;-.57,5.46,;.91,5.06,;2,3.97,;2.4,5.46,;-3.15,4.77,;-4.24,3.68,;-5.73,4.08,;-6.13,5.56,;-5.04,6.65,;-3.55,6.25,;-2.17,1.63,;-3.71,1.63,;-4.48,.3,;-1.27,.39,;.2,.86,;.97,-2.19,;-.51,-1.79,;-1.6,-2.88,;1.37,-3.68,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4(F)CCOCC4)c(OC)nn23)c(OC)c1 |(39.04,-16.42,;38.3,-15.08,;36.76,-15.05,;36.01,-13.7,;34.47,-13.68,;33.73,-12.33,;32.19,-12.31,;31.39,-13.63,;34.51,-11.01,;33.77,-9.67,;34.64,-8.4,;33.72,-7.18,;32.26,-7.69,;30.79,-7.24,;30.24,-5.8,;28.72,-5.55,;27.75,-6.74,;26.31,-7.29,;27.5,-8.26,;31,-4.46,;30.21,-3.13,;31.74,-3.13,;30.96,-1.8,;30.17,-.47,;28.63,-.49,;27.88,-1.83,;28.67,-3.16,;29.9,-8.51,;28.37,-8.54,;27.63,-9.89,;30.84,-9.73,;32.29,-9.22,;36.05,-11.04,;36.84,-9.72,;38.38,-9.74,;36.8,-12.39,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4=CCOCC4)c(OC)nn23)c(OC)c1 |t:21,(-.06,-6.8,;1.43,-7.2,;2.51,-6.11,;2.12,-4.62,;3.2,-3.53,;2.81,-2.04,;3.9,-.95,;5.38,-1.35,;1.32,-1.64,;.92,-.16,;1.83,1.09,;.92,2.33,;-.54,1.86,;-2.01,2.33,;-2.41,3.82,;-3.9,4.22,;-4.29,5.71,;-3.9,7.2,;-5.38,6.8,;-1.32,4.91,;.22,4.91,;.99,6.25,;2.53,6.25,;3.3,4.91,;2.53,3.58,;.99,3.58,;-2.91,1.09,;-4.45,1.09,;-5.22,-.24,;-2.01,-.16,;-.54,.32,;.23,-2.73,;-1.26,-2.33,;-2.35,-3.42,;.63,-4.22,)|
CCCN(CC1C2COCC12)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.78,6.11,;-4.29,5.71,;-3.9,4.22,;-2.41,3.82,;-1.32,4.91,;.22,4.91,;1.55,4.14,;3.02,3.67,;3.92,4.91,;3.02,6.16,;1.55,5.68,;-2.01,2.33,;-2.91,1.09,;-4.45,1.09,;-5.22,-.24,;-2.01,-.16,;-.54,.32,;.92,-.16,;1.83,1.09,;.92,2.33,;-.54,1.86,;1.32,-1.64,;2.81,-2.04,;3.9,-.95,;5.38,-1.35,;3.2,-3.53,;2.12,-4.62,;2.51,-6.11,;1.43,-7.2,;-.06,-6.8,;.63,-4.22,;.23,-2.73,;-1.26,-2.33,;-2.35,-3.42,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4C5COCC45)c(OC)nn23)c(OC)c1 |(-.06,-6.8,;1.43,-7.2,;2.51,-6.11,;2.12,-4.62,;3.2,-3.53,;2.81,-2.04,;3.9,-.95,;5.38,-1.35,;1.32,-1.64,;.92,-.16,;1.83,1.09,;.92,2.33,;-.54,1.86,;-2.01,2.33,;-2.41,3.82,;-3.9,4.22,;-4.29,5.71,;-3.9,7.2,;-5.38,6.8,;-1.32,4.91,;.22,4.91,;1.55,4.14,;3.02,3.67,;3.92,4.91,;3.02,6.16,;1.55,5.68,;-2.91,1.09,;-4.45,1.09,;-5.22,-.24,;-2.01,-.16,;-.54,.32,;.23,-2.73,;-1.26,-2.33,;-2.35,-3.42,;.63,-4.22,)|
CCCN(CC1C2COCC12)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.58,6.63,;-4.09,6.23,;-3.7,4.74,;-2.21,4.34,;-1.12,5.43,;.42,5.43,;1.75,4.66,;3.22,4.18,;4.12,5.43,;3.22,6.68,;1.75,6.2,;-1.81,2.85,;-2.72,1.61,;-4.26,1.61,;-5.03,.27,;-1.81,.36,;-.35,.84,;1.12,.36,;2.02,1.61,;1.12,2.85,;-.35,2.38,;1.52,-1.13,;.43,-2.21,;-1.06,-1.82,;-2.15,-2.9,;.83,-3.7,;2.32,-4.1,;2.71,-5.59,;1.62,-6.68,;.14,-6.28,;3.4,-3.01,;3.01,-1.52,;4.09,-.43,;5.58,-.83,)|
CCN(CC1C2COCC12)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C1CC1 |(-5.06,4.47,;-3.97,5.56,;-2.49,5.16,;-1.4,6.25,;.09,5.85,;1.6,6.17,;3.14,6.17,;3.61,4.71,;2.37,3.8,;1.12,4.71,;-2.09,3.68,;-2.99,2.43,;-4.53,2.43,;-5.3,1.1,;-2.09,1.18,;-.62,1.66,;.84,1.18,;1.75,2.43,;.84,3.68,;-.62,3.2,;1.24,-.3,;.15,-1.39,;-1.34,-.99,;-2.43,-2.08,;.55,-2.88,;2.04,-3.28,;3.13,-2.19,;2.73,-.7,;3.82,.39,;5.3,-.01,;2.44,-4.77,;2.04,-6.25,;3.52,-5.85,)|
COCc1cc(OC)c(-c2csc3c(N(CC4C5COCC45)CC4CCC4)c(OC)nn23)c(OC)c1 |(.06,-7.11,;1.55,-7.5,;2.64,-6.42,;2.24,-4.93,;3.33,-3.84,;2.93,-2.35,;4.02,-1.26,;5.51,-1.66,;1.44,-1.95,;1.04,-.46,;1.95,.78,;1.04,2.03,;-.42,1.55,;-1.89,2.03,;-2.29,3.51,;-1.2,4.6,;.34,4.6,;1.68,3.83,;3.14,3.36,;4.05,4.6,;3.14,5.85,;1.68,5.37,;-3.77,3.91,;-4.17,5.4,;-3.4,6.73,;-4.74,7.5,;-5.51,6.17,;-2.79,.78,;-4.33,.78,;-5.1,-.55,;-1.89,-.46,;-.42,.01,;.35,-3.04,;-1.14,-2.64,;-2.22,-3.73,;.75,-4.53,)|
COc1nn2c(csc2c1N(CC1CC1)CC1C2COCC12)-c1c(OC)cc(cc1OC)C#N |(-5.22,-.05,;-4.45,1.29,;-2.91,1.29,;-2.01,.04,;-.54,.52,;.92,.04,;1.83,1.29,;.92,2.53,;-.54,2.06,;-2.01,2.53,;-2.41,4.02,;-3.9,4.42,;-4.29,5.91,;-3.9,7.4,;-5.38,7,;-1.32,5.11,;.17,4.71,;1.68,5.03,;3.22,5.03,;3.69,3.57,;2.45,2.66,;1.2,3.57,;1.32,-1.45,;2.81,-1.84,;3.9,-.75,;5.38,-1.15,;3.2,-3.33,;2.12,-4.42,;.63,-4.02,;.23,-2.53,;-1.26,-2.14,;-2.35,-3.22,;2.51,-5.91,;2.91,-7.4,)|
CCCN(CC1C2COCC12)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C#N |(-5.58,6.85,;-4.09,6.45,;-3.7,4.96,;-2.21,4.57,;-1.12,5.66,;.37,5.26,;1.87,5.58,;3.41,5.58,;3.89,4.11,;2.64,3.21,;1.4,4.11,;-1.81,3.08,;-2.72,1.83,;-4.26,1.83,;-5.03,.5,;-1.81,.59,;-.35,1.06,;1.12,.59,;2.02,1.83,;1.12,3.08,;-.35,2.6,;1.52,-.9,;.43,-1.99,;-1.06,-1.59,;-2.15,-2.68,;.83,-3.48,;2.32,-3.88,;3.4,-2.79,;3.01,-1.3,;4.09,-.21,;5.58,-.61,;2.71,-5.36,;3.11,-6.85,)|
CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(C=O)cc1OC |(-6.47,2.3,;-5.38,3.38,;-3.9,2.99,;-2.81,4.08,;-1.32,3.68,;-.23,4.77,;1.26,4.37,;2.35,5.46,;1.95,6.94,;.46,7.34,;-.63,6.25,;-.92,2.19,;-1.83,.94,;-3.37,.94,;-4.14,-.39,;-.92,-.3,;.54,.17,;2.01,-.3,;2.91,.94,;2.01,2.19,;.54,1.71,;2.41,-1.79,;1.32,-2.88,;-.17,-2.48,;-1.26,-3.57,;1.72,-4.37,;3.2,-4.77,;3.6,-6.25,;2.51,-7.34,;4.29,-3.68,;3.9,-2.19,;4.98,-1.1,;6.47,-1.5,)|
CCCCN(C1CCOCC1)c1c(SC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-6.47,3.04,;-5.38,4.13,;-3.9,3.73,;-2.81,4.82,;-1.32,4.42,;-.23,5.51,;1.26,5.11,;2.35,6.2,;1.95,7.69,;.46,8.09,;-.63,7,;-.92,2.93,;-1.83,1.69,;-3.37,1.69,;-4.14,.35,;-.92,.44,;.54,.92,;2.01,.44,;2.91,1.69,;2.01,2.93,;.54,2.46,;2.41,-1.05,;1.32,-2.14,;-.17,-1.74,;-1.26,-2.83,;1.72,-3.62,;3.2,-4.02,;3.6,-5.51,;2.51,-6.6,;2.91,-8.09,;4.29,-2.93,;3.9,-1.45,;4.98,-.36,;6.47,-.75,)|
OC(=O)Cc1ccc(NC[C@H]2CC[C@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)cc1 |r,wU:13.16,10.9,(11.34,3.85,;10,3.08,;10,1.54,;8.67,3.85,;7.34,3.08,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-3.33,-1.54,;-4.67,-.77,;-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,;-10,-.77,;-11.34,-1.54,;-10,.77,;-11.34,,;4.67,3.08,;6,3.85,)|
CCc1cc(CC)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1 |r,wU:9.8,wD:12.15,(6.46,-3.52,;7.23,-2.19,;6.46,-.86,;7.36,.39,;6.46,1.64,;6.86,3.12,;8.34,3.52,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;4.99,-.38,)|
Cc1cn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)nc1C |r,wU:5.4,wD:8.11,(7.61,-1.42,;6.84,-.09,;5.38,.38,;5.38,1.93,;4.05,2.69,;2.71,1.93,;2.71,.38,;1.38,-.38,;.05,.38,;.05,1.93,;1.38,2.69,;-1.29,-.38,;-2.62,.38,;-2.62,1.93,;-3.96,-.38,;-5.29,.38,;-6.62,-.38,;-6.62,-1.93,;-5.29,-2.69,;-3.96,-1.93,;-2.62,-2.69,;-7.96,.38,;-9.29,-.38,;-7.96,1.93,;-9.29,1.15,;6.84,2.4,;7.75,1.15,;9.29,1.15,)|
Cc1cnn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1C |r,wU:6.5,wD:9.12,(8.38,-1.42,;7.61,-.09,;8.52,1.15,;7.61,2.4,;6.15,1.93,;4.82,2.69,;3.48,1.93,;3.48,.38,;2.15,-.38,;.82,.38,;.82,1.93,;2.15,2.69,;-.52,-.38,;-1.85,.38,;-1.85,1.93,;-3.19,-.38,;-4.52,.38,;-5.85,-.38,;-5.85,-1.93,;-4.52,-2.69,;-3.19,-1.93,;-1.85,-2.69,;-7.19,.38,;-8.52,-.38,;-7.19,1.93,;-8.52,1.15,;6.15,.38,;4.82,-.38,)|
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2ncc3CCCc23)CC1 |r,wU:17.18,wD:14.14,(-8.58,-.45,;-7.25,.32,;-7.25,1.86,;-8.58,1.09,;-5.91,-.45,;-5.91,-1.99,;-4.58,-2.76,;-3.25,-1.99,;-1.91,-2.76,;-3.25,-.45,;-4.58,.32,;-1.91,.32,;-1.91,1.86,;-.58,-.45,;.75,.32,;2.09,-.45,;3.42,.32,;3.42,1.86,;4.76,2.63,;6.09,1.86,;7.34,2.76,;8.58,1.86,;8.11,.39,;8.58,-1.07,;7.34,-1.98,;6.09,-1.07,;6.57,.39,;2.09,2.63,;.75,1.86,)|
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2cc3CCCc3n2)CC1 |r,wU:17.18,wD:14.14,(-8.97,-.39,;-7.63,.38,;-7.63,1.92,;-8.97,1.15,;-6.3,-.39,;-6.3,-1.93,;-4.97,-2.7,;-3.63,-1.93,;-2.3,-2.7,;-3.63,-.39,;-4.97,.38,;-2.3,.38,;-2.3,1.92,;-.96,-.39,;.37,.38,;1.7,-.39,;3.04,.38,;3.04,1.92,;4.37,2.7,;5.7,1.92,;7.24,1.92,;7.72,.46,;8.97,-.44,;8.49,-1.91,;6.95,-1.91,;6.47,-.44,;5.23,.46,;1.7,2.7,;.37,1.92,)|
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2cc3CCCCc3n2)CC1 |r,wU:14.15,wD:11.11,(-3.71,-2.69,;-5.04,-1.93,;-6.37,-2.69,;-7.71,-1.93,;-7.71,-.38,;-9.04,.38,;-6.37,.38,;-5.04,-.38,;-3.71,.38,;-3.71,1.93,;-2.37,-.38,;-1.04,.38,;.29,-.38,;1.63,.38,;1.63,1.93,;2.96,2.69,;4.29,1.93,;4.46,.39,;5.96,.07,;6.73,-1.26,;8.27,-1.26,;9.04,.07,;8.27,1.41,;6.73,1.41,;5.7,2.55,;.29,2.69,;-1.04,1.93,)|
Cc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(cnc2C)C(F)(F)F)n1 |r,wU:7.6,wD:10.13,(9.29,1.15,;7.75,1.15,;6.84,-.09,;5.38,.38,;4.05,-.38,;5.38,1.93,;4.05,2.69,;2.71,1.93,;2.71,.38,;1.38,-.38,;.05,.38,;.05,1.93,;1.38,2.69,;-1.29,-.38,;-2.62,.38,;-2.62,1.93,;-3.96,-.38,;-5.29,.38,;-6.62,-.38,;-6.62,-1.93,;-5.29,-2.69,;-3.96,-1.93,;-2.62,-2.69,;-7.96,.38,;-9.29,-.38,;-7.96,1.93,;-9.29,1.15,;6.84,2.4,)|
COc1ccc(cc1)-c1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:14.14,wD:17.21,(11.26,-3.73,;9.78,-4.13,;8.69,-3.04,;7.2,-3.44,;6.11,-2.35,;6.51,-.87,;8,-.47,;9.09,-1.56,;5.42,.22,;5.9,1.69,;4.65,2.59,;4.65,4.13,;3.41,1.69,;2.07,2.46,;.74,1.69,;.74,.15,;-.6,-.62,;-1.93,.15,;-1.93,1.69,;-.6,2.46,;-3.26,-.62,;-4.6,.15,;-4.6,1.69,;-5.93,-.62,;-7.26,.15,;-8.6,-.62,;-8.6,-2.16,;-7.26,-2.93,;-5.93,-2.16,;-4.6,-2.93,;-9.93,.15,;-11.26,-.62,;-9.93,1.69,;-11.26,.92,;3.88,.22,)|
Cc1cc(nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F)-c1ccc2OCOc2c1 |r,wU:7.7,wD:10.14,(4.91,4.22,;4.91,2.68,;6.16,1.77,;5.68,.31,;4.14,.31,;3.67,1.77,;2.33,2.54,;1,1.77,;1,.23,;-.34,-.54,;-1.67,.23,;-1.67,1.77,;-.34,2.54,;-3,-.54,;-4.34,.23,;-4.34,1.77,;-5.67,-.54,;-7,.23,;-8.34,-.54,;-8.34,-2.08,;-7,-2.85,;-5.67,-2.08,;-4.34,-2.85,;-9.67,.23,;-11,-.54,;-9.67,1.77,;-11,1,;6.45,-1.02,;5.98,-2.49,;7.01,-3.63,;8.51,-3.31,;9.76,-4.22,;11,-3.31,;10.53,-1.85,;8.99,-1.85,;7.96,-.7,)|
Cc1cc(CO)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1 |r,wU:8.7,wD:11.14,(8.63,1.15,;7.09,1.15,;6.19,-.09,;4.72,.38,;3.63,-.7,;4.03,-2.19,;4.71,1.93,;3.37,2.69,;2.04,1.93,;2.04,.38,;.7,-.38,;-.63,.38,;-.63,1.93,;.7,2.69,;-1.96,-.38,;-3.3,.38,;-3.3,1.93,;-4.63,-.38,;-5.96,.38,;-7.3,-.38,;-8.63,.38,;-7.3,-1.93,;-5.96,-2.69,;-4.63,-1.93,;-3.3,-2.69,;6.19,2.4,)|
Cc1cc(CO)nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)cnc1C |r,wU:9.9,wD:12.16,(3,-.38,;4.34,.38,;5.8,-.09,;6.71,1.15,;8.25,1.15,;9.02,-.18,;5.8,2.4,;4.32,1.93,;2.99,2.69,;1.65,1.93,;1.65,.38,;.32,-.38,;-1.01,.38,;-1.01,1.93,;.32,2.69,;-2.35,-.38,;-3.68,.38,;-3.68,1.93,;-5.02,-.38,;-6.35,.38,;-7.68,-.38,;-9.02,.38,;-7.68,-1.93,;-6.35,-2.69,;-5.02,-1.93,;-3.68,-2.69,)|
CC(C)c1cc(C)nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)cnc1C |r,wU:10.10,wD:13.17,(4.54,-2.18,;4.14,-.7,;2.66,-.3,;5.23,.39,;6.77,.39,;7.25,1.86,;8.58,2.63,;6,2.76,;4.76,1.86,;3.42,2.63,;2.09,1.86,;2.09,.32,;.75,-.45,;-.58,.32,;-.58,1.86,;.75,2.63,;-1.91,-.45,;-3.25,.32,;-3.25,1.86,;-4.58,-.45,;-5.91,.32,;-7.25,-.45,;-8.58,.32,;-7.25,-1.99,;-5.91,-2.76,;-4.58,-1.99,;-3.25,-2.76,)|
CCc1cc(CC)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:12.15,wD:9.8,(9.87,1.17,;8.78,2.26,;7.29,1.86,;6.82,.39,;5.28,.39,;4.51,-.94,;5.28,-2.27,;4.8,1.86,;3.47,2.63,;2.13,1.86,;.8,2.63,;-.53,1.86,;-.53,.32,;.8,-.45,;2.13,.32,;-1.87,-.45,;-3.2,.32,;-3.2,1.86,;-4.53,-.45,;-5.87,.32,;-7.2,-.45,;-7.2,-1.99,;-5.87,-2.76,;-4.53,-1.99,;-3.2,-2.76,;-8.54,.32,;-9.87,-.45,;-8.54,1.86,;-9.87,1.09,;6.05,2.76,)|
COc1cc(C)nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F |r,wU:9.9,wD:12.16,(5.9,-2.27,;5.13,-.94,;5.9,.39,;7.44,.39,;7.91,1.86,;9.25,2.63,;6.67,2.76,;5.42,1.86,;4.09,2.63,;2.76,1.86,;2.76,.32,;1.42,-.45,;.09,.32,;.09,1.86,;1.42,2.63,;-1.25,-.45,;-2.58,.32,;-2.58,1.86,;-3.91,-.45,;-5.25,.32,;-6.58,-.45,;-6.58,-1.99,;-5.25,-2.76,;-3.91,-1.99,;-2.58,-2.76,;-7.91,.32,;-7.91,1.86,;-9.25,-.45,;-9.25,1.09,)|
Cc1cnn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1 |r,wU:6.5,wD:9.12,(8.73,-.94,;7.96,.39,;8.43,1.86,;7.19,2.76,;5.94,1.86,;4.61,2.63,;3.27,1.86,;3.27,.32,;1.94,-.45,;.61,.32,;.61,1.86,;1.94,2.63,;-.73,-.45,;-2.06,.32,;-2.06,1.86,;-3.39,-.45,;-4.73,.32,;-6.06,-.45,;-6.06,-1.99,;-4.73,-2.76,;-3.39,-1.99,;-2.06,-2.76,;-7.39,.32,;-7.39,1.86,;-8.73,-.45,;-8.73,1.09,;6.42,.39,)|
CCc1cc(C)nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F |r,wU:9.9,wD:12.16,(5.9,-2.27,;5.13,-.94,;5.9,.39,;7.44,.39,;7.91,1.86,;9.25,2.63,;6.67,2.76,;5.42,1.86,;4.09,2.63,;2.76,1.86,;2.76,.32,;1.42,-.45,;.09,.32,;.09,1.86,;1.42,2.63,;-1.25,-.45,;-2.58,.32,;-2.58,1.86,;-3.91,-.45,;-5.25,.32,;-6.58,-.45,;-6.58,-1.99,;-5.25,-2.76,;-3.91,-1.99,;-2.58,-2.76,;-7.91,.32,;-7.91,1.86,;-9.25,-.45,;-9.25,1.09,)|
CCc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c(C)c1Cl |r,wU:6.5,wD:9.12,(9.91,1.86,;8.58,2.63,;7.25,1.86,;6,2.76,;4.76,1.86,;3.42,2.63,;2.09,1.86,;2.09,.32,;.75,-.45,;-.58,.32,;-.58,1.86,;.75,2.63,;-1.91,-.45,;-3.25,.32,;-3.25,1.86,;-4.58,-.45,;-5.91,.32,;-7.25,-.45,;-7.25,-1.99,;-5.91,-2.76,;-4.58,-1.99,;-3.25,-2.76,;-8.58,.32,;-8.58,1.86,;-9.91,-.45,;-9.91,1.09,;5.23,.39,;4.46,-.94,;6.77,.39,;7.54,-.94,)|
COc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:8.7,wD:11.14,(9.52,3.25,;9.13,1.77,;7.64,1.37,;7.16,-.1,;5.62,-.1,;4.85,-1.43,;5.15,1.37,;3.81,2.14,;2.48,1.37,;2.48,-.17,;1.15,-.94,;-.19,-.17,;-.19,1.37,;1.15,2.14,;-1.52,-.94,;-2.86,-.17,;-2.86,1.37,;-4.19,-.94,;-5.52,-.17,;-6.86,-.94,;-6.86,-2.48,;-5.52,-3.25,;-4.19,-2.48,;-2.86,-3.25,;-8.19,-.17,;-8.19,1.37,;-9.52,-.94,;-9.52,.6,;6.39,2.27,)|
CCc1[nH]nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c1C |r,wU:11.14,wD:8.7,(9.52,.08,;9.13,1.56,;7.64,1.96,;7.16,3.43,;5.62,3.43,;5.15,1.96,;3.81,1.19,;2.48,1.96,;1.15,1.19,;-.19,1.96,;-1.52,1.19,;-1.52,-.35,;-.19,-1.12,;1.15,-.35,;-2.86,-1.12,;-4.19,-.35,;-4.19,1.19,;-5.52,-1.12,;-6.86,-.35,;-8.19,-1.12,;-9.52,-.35,;-8.19,-2.66,;-6.86,-3.43,;-5.52,-2.66,;-4.19,-3.43,;6.39,1.06,;6.39,-.48,)|
COc1ccc(-c2c(C)[nH]nc2NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c(Cl)c1 |r,wU:14.14,wD:17.21,(5.96,-4.65,;7.29,-3.88,;7.29,-2.34,;5.96,-1.57,;5.96,-.03,;7.29,.74,;7.29,2.28,;8.54,3.19,;9.87,2.42,;8.06,4.65,;6.52,4.65,;6.05,3.19,;4.71,2.42,;3.38,3.19,;2.04,2.42,;2.04,.88,;.71,.11,;-.62,.88,;-.62,2.42,;.71,3.19,;-1.96,.11,;-3.29,.88,;-3.29,2.42,;-4.62,.11,;-5.96,.88,;-7.29,.11,;-7.29,-1.43,;-5.96,-2.2,;-4.62,-1.43,;-3.29,-2.2,;-8.62,.88,;-9.96,.11,;-8.62,2.42,;-7.29,1.65,;8.62,-.03,;9.96,.74,;8.62,-1.57,)|
Cc1cc(nn1C[C@H]1CC[C@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1ccccc1 |r,wU:10.14,7.7,(1.84,-.38,;3.17,.38,;4.64,-.09,;5.54,1.15,;4.64,2.4,;3.17,1.93,;1.84,2.69,;.51,1.93,;.51,.38,;-.83,-.38,;-2.16,.38,;-2.16,1.93,;-.83,2.69,;-3.49,-.38,;-4.83,.38,;-4.83,1.93,;-6.16,-.38,;-7.5,.38,;-8.83,-.38,;-10.16,.38,;-8.83,-1.93,;-7.5,-2.69,;-6.16,-1.93,;-4.83,-2.69,;7.08,1.15,;7.85,-.18,;9.39,-.18,;10.16,1.15,;9.39,2.49,;7.85,2.49,)|
OCc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)cc1Cl |r,wU:6.5,wD:9.12,(7.44,-2.27,;8.21,-.94,;7.44,.39,;5.9,.39,;5.42,1.86,;4.09,2.63,;2.76,1.86,;2.76,.32,;1.42,-.45,;.09,.32,;.09,1.86,;1.42,2.63,;-1.25,-.45,;-2.58,.32,;-2.58,1.86,;-3.91,-.45,;-5.25,.32,;-6.58,-.45,;-6.58,-1.99,;-5.25,-2.76,;-3.91,-1.99,;-2.58,-2.76,;-7.91,.32,;-7.91,1.86,;-9.25,-.45,;-9.25,1.09,;6.67,2.76,;7.91,1.86,;9.25,2.63,)|
CCc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:8.7,wD:11.14,(9.91,1.86,;8.58,2.63,;7.25,1.86,;6.77,.39,;5.23,.39,;4.46,-.94,;4.76,1.86,;3.42,2.63,;2.09,1.86,;2.09,.32,;.75,-.45,;-.58,.32,;-.58,1.86,;.75,2.63,;-1.91,-.45,;-3.25,.32,;-3.25,1.86,;-4.58,-.45,;-5.91,.32,;-7.25,-.45,;-7.25,-1.99,;-5.91,-2.76,;-4.58,-1.99,;-3.25,-2.76,;-8.58,.32,;-8.58,1.86,;-9.91,-.45,;-9.91,1.09,;6,2.76,)|
Cc1cc(nn1C[C@H]1CC[C@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1ccc(F)cc1 |r,wU:10.14,7.7,(1.07,-.38,;2.4,.38,;3.87,-.09,;4.77,1.15,;3.87,2.4,;2.4,1.93,;1.07,2.69,;-.26,1.93,;-.26,.38,;-1.6,-.38,;-2.93,.38,;-2.93,1.93,;-1.6,2.69,;-4.26,-.38,;-5.6,.38,;-5.6,1.93,;-6.93,-.38,;-8.27,.38,;-9.6,-.38,;-10.93,.38,;-9.6,-1.93,;-8.27,-2.69,;-6.93,-1.93,;-5.6,-2.69,;6.31,1.15,;7.08,-.18,;8.62,-.18,;9.39,1.15,;10.93,1.15,;8.62,2.49,;7.08,2.49,)|
Cc1cc(nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)cnc1C)-c1cccnc1 |r,wU:7.7,wD:10.14,(2,-.38,;3.33,.38,;4.67,-.39,;6,.38,;6,1.93,;3.33,1.93,;2,2.69,;.67,1.93,;.67,.38,;-.67,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,-.38,;-7.34,.38,;-8.67,-.38,;-10,.38,;-8.67,-1.93,;-7.34,-2.69,;-6,-1.93,;-4.67,-2.69,;7.34,-.38,;7.34,-1.93,;8.67,-2.69,;10,-1.93,;10,-.38,;8.67,.38,)|
Cc1cccnc1NC[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F |r,wU:9.9,wD:12.16,(5.06,5.26,;6.15,4.17,;7.64,4.57,;8.73,3.48,;8.33,1.99,;6.84,1.59,;5.75,2.68,;4.26,2.28,;3.86,.8,;2.38,.4,;1.98,-1.09,;.49,-1.49,;-.6,-.4,;-.2,1.09,;1.29,1.49,;-2.09,-.8,;-2.48,-2.28,;-1.39,-3.37,;-3.97,-2.68,;-5.06,-1.59,;-6.55,-1.99,;-6.95,-3.48,;-5.86,-4.57,;-4.37,-4.17,;-3.28,-5.26,;-7.64,-.9,;-8.73,.18,;-6.55,.18,;-8.73,-1.99,)|
Cc1ncccc1NC[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F |r,wU:9.9,wD:12.16,(5.33,3.85,;6.67,3.08,;8,3.85,;9.34,3.08,;9.34,1.54,;8,.77,;6.67,1.54,;5.33,.77,;4,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-8,-.77,;-9.34,-1.54,;-8,.77,;-9.34,,)|
Cc1nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2Cl)sc1C |r,wU:6.5,wD:9.12,(5.88,6.11,;5.88,4.57,;4.64,3.67,;5.11,2.2,;4.02,1.11,;2.54,1.51,;1.45,.42,;1.84,-1.07,;.76,-2.15,;-.73,-1.76,;-1.13,-.27,;-.04,.82,;-1.82,-2.84,;-3.31,-2.45,;-3.71,-.96,;-4.4,-3.53,;-5.88,-3.14,;-6.97,-4.23,;-8.46,-3.83,;-6.57,-5.71,;-5.09,-6.11,;-4,-5.02,;-2.51,-5.42,;6.65,2.2,;7.13,3.67,;8.46,4.44,)|
OC(=O)c1ccc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)nc1 |r,wU:9.8,wD:12.15,(8.62,4.54,;8.62,3,;9.96,2.23,;7.29,2.23,;7.24,.66,;5.91,-.11,;4.57,.66,;3.24,-.11,;1.91,.66,;.57,-.11,;.57,-1.65,;-.76,-2.42,;-2.1,-1.65,;-2.1,-.11,;-.76,.66,;-3.43,-2.42,;-4.76,-1.65,;-4.76,-.11,;-6.1,-2.42,;-7.43,-1.65,;-8.81,-2.39,;-8.76,-3.96,;-7.43,-4.73,;-6.1,-3.96,;-4.76,-4.73,;-10.15,-1.62,;-11.48,-.85,;-9.38,-.29,;-10.92,-2.96,;4.57,2.2,;5.91,2.97,)|
CN(C)Cc1ccc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)nc1 |r,wU:10.9,wD:13.16,(10.67,3.85,;9.34,3.08,;9.34,1.54,;8,3.85,;6.67,3.08,;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,;-2.67,.77,;-1.33,1.54,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-6.67,-1.54,;-8,-.77,;-9.38,-1.51,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-10.72,-.74,;-12.05,.03,;-9.95,.59,;-11.49,-2.08,;4,3.08,;5.33,3.85,)|
C[C@@H]1C[C@H](CC[C@@H]1CNc1cc([nH]n1)-c1ccc(F)cc1)NC(=O)c1cc(ccc1Cl)C(F)(F)F |r|
Cc1cnc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)s1 |r,wU:7.6,wD:10.13,(9.15,2.47,;7.82,3.24,;7.34,4.7,;5.8,4.7,;5.33,3.24,;3.84,2.84,;3.44,1.35,;1.95,.95,;1.55,-.53,;.07,-.93,;-1.02,.16,;-.62,1.64,;.86,2.04,;-2.51,-.24,;-2.91,-1.73,;-1.82,-2.82,;-4.4,-2.13,;-5.49,-1.04,;-6.97,-1.44,;-7.37,-2.92,;-6.28,-4.01,;-4.8,-3.61,;-3.71,-4.7,;-8.06,-.35,;-9.15,.74,;-6.97,.74,;-9.15,-1.44,;6.57,2.33,)|
Cc1cc(C)nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1 |r,wU:9.8,wD:12.15,(9.07,.51,;7.98,1.59,;8.38,3.08,;7.29,4.17,;7.69,5.66,;5.8,3.77,;5.41,2.28,;3.92,1.89,;3.52,.4,;2.03,,;1.63,-1.49,;.15,-1.89,;-.94,-.8,;-.54,.69,;.94,1.09,;-2.43,-1.2,;-2.83,-2.68,;-1.74,-3.77,;-4.32,-3.08,;-5.41,-1.99,;-6.89,-2.39,;-7.29,-3.88,;-6.2,-4.97,;-4.72,-4.57,;-3.63,-5.66,;-7.98,-1.3,;-9.07,-.21,;-6.89,-.21,;-9.07,-2.39,;6.49,1.2,)|
Cc1ccc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)nc1 |r,wU:7.6,wD:10.13,(9.47,4.22,;7.98,3.83,;7.58,2.34,;6.1,1.94,;5.01,3.03,;3.52,2.63,;3.12,1.14,;1.63,.74,;1.23,-.74,;-.25,-1.14,;-1.34,-.05,;-.94,1.43,;.54,1.83,;-2.83,-.45,;-3.23,-1.94,;-2.14,-3.03,;-4.72,-2.34,;-5.8,-1.25,;-7.29,-1.65,;-7.69,-3.14,;-6.6,-4.22,;-5.11,-3.83,;-4.02,-4.91,;-8.38,-.56,;-9.47,.53,;-7.29,.53,;-9.47,-1.65,;5.41,4.52,;6.89,4.91,)|
Cc1cccc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:8.7,wD:11.14,(8.04,5.66,;7.64,4.17,;8.73,3.08,;8.33,1.59,;6.84,1.2,;5.75,2.28,;4.26,1.89,;3.86,.4,;2.38,,;1.98,-1.49,;.49,-1.89,;-.6,-.8,;-.2,.69,;1.29,1.09,;-2.09,-1.2,;-2.48,-2.68,;-1.39,-3.77,;-3.97,-3.08,;-5.06,-1.99,;-6.55,-2.39,;-6.95,-3.88,;-5.86,-4.97,;-4.37,-4.57,;-3.28,-5.66,;-7.64,-1.3,;-8.73,-.21,;-6.55,-.21,;-8.73,-2.39,;6.15,3.77,)|
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](CNc2ccccc2Cl)CC1 |r,wU:17.18,wD:14.14,(-8.73,.53,;-7.64,-.56,;-6.55,.53,;-8.73,-1.65,;-6.55,-1.65,;-6.95,-3.14,;-5.86,-4.22,;-4.37,-3.83,;-3.28,-4.91,;-3.97,-2.34,;-5.06,-1.25,;-2.48,-1.94,;-1.39,-3.03,;-2.09,-.45,;-.6,-.05,;.49,-1.14,;1.98,-.74,;2.38,.74,;3.86,1.14,;4.26,2.63,;5.75,3.03,;6.15,4.52,;7.64,4.91,;8.73,3.83,;8.33,2.34,;6.84,1.94,;6.44,.45,;1.29,1.83,;-.2,1.43,)|
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](CNCc2cc(on2)-c2ccccc2)CC1 |r,wU:17.18,wD:14.14,(-8.17,-2.75,;-7.08,-3.84,;-5.99,-2.75,;-8.17,-4.93,;-5.99,-4.93,;-6.39,-6.41,;-5.3,-7.5,;-3.81,-7.1,;-2.73,-8.19,;-3.42,-5.62,;-4.5,-4.53,;-1.93,-5.22,;-.84,-6.31,;-1.53,-3.73,;-.04,-3.33,;1.05,-4.42,;2.53,-4.02,;2.93,-2.53,;4.42,-2.14,;4.82,-.65,;6.31,-.25,;6.71,1.24,;5.8,2.48,;6.71,3.73,;8.17,3.25,;8.17,1.71,;6.31,5.22,;7.4,6.31,;7,7.79,;5.51,8.19,;4.42,7.1,;4.82,5.62,;1.84,-1.45,;.36,-1.84,)|
Cc1nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)sc1C |r,wU:6.5,wD:9.12,(9.15,1.8,;7.82,2.57,;6.57,1.67,;5.33,2.57,;3.84,2.17,;3.44,.69,;1.95,.29,;1.55,-1.2,;.07,-1.6,;-1.02,-.51,;-.62,.98,;.86,1.38,;-2.51,-.91,;-2.91,-2.4,;-1.82,-3.48,;-4.4,-2.79,;-5.49,-1.71,;-6.97,-2.1,;-7.37,-3.59,;-6.28,-4.68,;-4.8,-4.28,;-3.71,-5.37,;-8.06,-1.01,;-9.15,.07,;-6.97,.07,;-9.15,-2.1,;5.8,4.04,;7.34,4.04,;8.11,5.37,)|
Fc1ccc(cc1)-c1cc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)[nH]n1 |r,wU:12.12,wD:15.19,(11.78,2.41,;10.6,2.41,;9.83,1.08,;8.29,1.08,;7.52,2.41,;8.29,3.75,;9.83,3.75,;6.59,2.41,;5.69,1.17,;4.22,1.64,;2.89,.87,;1.56,1.64,;.22,.87,;.22,-.67,;-1.11,-1.44,;-2.44,-.67,;-2.44,.87,;-1.11,1.64,;-3.78,-1.44,;-5.11,-.67,;-5.11,.87,;-6.44,-1.44,;-7.78,-.67,;-9.11,-1.44,;-9.11,-2.98,;-7.78,-3.75,;-6.44,-2.98,;-5.11,-3.75,;-10.45,-.67,;-11.78,-1.44,;-10.45,.87,;-11.78,.1,;4.22,3.18,;5.69,3.66,)|
CCCc1cc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n[nH]1 |r,wU:8.7,wD:11.14,(11.11,3.75,;9.57,3.75,;8.8,2.41,;7.26,2.41,;6.36,1.17,;4.89,1.64,;3.56,.87,;2.22,1.64,;.89,.87,;.89,-.67,;-.44,-1.44,;-1.78,-.67,;-1.78,.87,;-.44,1.64,;-3.11,-1.44,;-4.44,-.67,;-4.44,.87,;-5.78,-1.44,;-7.11,-.67,;-8.44,-1.44,;-8.44,-2.98,;-7.11,-3.75,;-5.78,-2.98,;-4.44,-3.75,;-9.78,-.67,;-11.11,-1.44,;-9.78,.87,;-11.11,.1,;4.89,3.18,;6.36,3.66,)|
CC(C)c1cc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n[nH]1 |r,wU:8.7,wD:11.14,(9.68,4.3,;8.19,3.9,;7.1,4.99,;7.79,2.41,;6.33,1.94,;6.33,.4,;4.99,-.37,;3.66,.4,;2.33,-.37,;2.33,-1.91,;.99,-2.68,;-.34,-1.91,;-.34,-.37,;.99,.4,;-1.68,-2.68,;-3.01,-1.91,;-3.01,-.37,;-4.34,-2.68,;-5.68,-1.91,;-7.01,-2.68,;-7.01,-4.22,;-5.68,-4.99,;-4.34,-4.22,;-3.01,-4.99,;-8.34,-1.91,;-9.68,-2.68,;-8.34,-.37,;-9.68,-1.14,;7.79,-.08,;8.7,1.17,)|
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](CNc2cccnc2)CC1 |r,wU:17.18,wD:14.14,(-9.34,-1.54,;-8,-.77,;-8,.77,;-9.34,,;-6.67,-1.54,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-4,-1.54,;-5.33,-.77,;-2.67,-.77,;-2.67,.77,;-1.33,-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,;8,3.85,;6.67,3.08,;1.33,1.54,;,.77,)|
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](CNc2ccccc2)CC1 |r,wU:17.18,wD:14.14,(-9.34,-.39,;-8,.38,;-8,1.92,;-9.34,1.15,;-6.67,-.39,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-4,-.39,;-5.33,.38,;-2.67,.38,;-2.67,1.92,;-1.33,-.39,;,.38,;1.33,-.39,;2.67,.38,;2.67,1.92,;4,2.69,;5.33,1.92,;6.67,1.15,;6.67,-.39,;8,-1.16,;9.34,-.39,;9.34,1.15,;8,1.93,;1.33,2.7,;,1.92,)|
Cc1nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)sc1C |r,wU:6.5,wD:9.12,(5.88,6.11,;5.88,4.57,;4.64,3.67,;5.11,2.2,;4.02,1.11,;2.54,1.51,;1.45,.42,;1.84,-1.07,;.76,-2.15,;-.73,-1.76,;-1.13,-.27,;-.04,.82,;-1.82,-2.84,;-3.31,-2.45,;-3.71,-.96,;-4.4,-3.53,;-5.88,-3.14,;-6.97,-4.23,;-8.46,-3.83,;-6.57,-5.71,;-5.09,-6.11,;-4,-5.02,;-2.51,-5.42,;6.65,2.2,;7.13,3.67,;8.46,4.44,)|
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2ccc(n2)N2CCNC2=O)CC1 |r,wU:17.18,wD:14.14,(-10.43,-1.01,;-9.1,-.24,;-9.1,1.3,;-10.43,.53,;-7.77,-1.01,;-7.77,-2.55,;-6.43,-3.32,;-5.1,-2.55,;-3.76,-3.32,;-5.1,-1.01,;-6.43,-.24,;-3.76,-.24,;-3.76,1.3,;-2.43,-1.01,;-1.1,-.24,;.24,-1.01,;1.57,-.24,;1.57,1.3,;2.9,2.07,;4.24,1.3,;4.71,-.16,;6.25,-.16,;6.73,1.3,;5.48,2.21,;8.06,2.07,;8.97,3.32,;10.43,2.84,;10.43,1.3,;8.97,.83,;8.2,-.51,;.24,2.07,;-1.1,1.3,)|
Cc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:7.6,wD:10.13,(8.38,-1.94,;7.61,-.61,;8.52,.64,;7.61,1.88,;8.38,3.21,;6.15,1.41,;4.82,2.18,;3.48,1.41,;3.48,-.13,;2.15,-.9,;.82,-.13,;.82,1.41,;2.15,2.18,;-.52,-.9,;-1.85,-.13,;-1.85,1.41,;-3.19,-.9,;-4.52,-.13,;-5.85,-.9,;-5.85,-2.44,;-4.52,-3.21,;-3.19,-2.44,;-1.85,-3.21,;-7.19,-.13,;-8.52,-.9,;-7.19,1.41,;-8.52,.64,;6.15,-.13,)|
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](CNc2cc(n[nH]2)C2CC2)CC1 |r,wU:17.18,wD:14.14,(-9.79,-2.83,;-8.45,-2.06,;-8.45,-.52,;-9.79,-1.29,;-7.12,-2.83,;-7.12,-4.37,;-5.79,-5.14,;-4.45,-4.37,;-3.12,-5.14,;-4.45,-2.83,;-5.79,-2.06,;-3.12,-2.06,;-3.12,-.52,;-1.78,-2.83,;-.45,-2.06,;.88,-2.83,;2.22,-2.06,;2.22,-.52,;3.55,.25,;4.88,-.52,;6.22,.25,;6.22,1.79,;7.68,2.27,;8.59,1.02,;7.68,-.23,;8.45,3.6,;9.79,4.37,;8.45,5.14,;.88,.25,;-.45,-.52,)|
Fc1cccc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1 |r,wU:8.7,wD:11.14,(9.07,1.25,;7.98,2.34,;8.38,3.83,;7.29,4.91,;5.8,4.52,;5.41,3.03,;3.92,2.63,;3.52,1.14,;2.03,.74,;1.63,-.74,;.15,-1.14,;-.94,-.05,;-.54,1.43,;.94,1.83,;-2.43,-.45,;-2.83,-1.94,;-1.74,-3.03,;-4.32,-2.34,;-5.41,-1.25,;-6.89,-1.65,;-7.29,-3.14,;-6.2,-4.22,;-4.72,-3.83,;-3.63,-4.91,;-7.98,-.56,;-9.07,-1.65,;-6.89,.53,;-9.07,.53,;6.49,1.94,)|
Cc1cncc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1 |r,wU:8.7,wD:11.14,(10,.77,;8.67,1.54,;8.67,3.08,;7.34,3.85,;6,3.08,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-8.67,-.77,;-10,-1.54,;-8.67,.77,;-10,,;7.34,.77,)|
CN(C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)ccc1Cl)Cc1cc(n[nH]1)-c1ccccc1 |r,wU:3.2,wD:6.9,(1.84,.38,;1.84,1.92,;.51,2.69,;-.83,1.92,;-.83,.38,;-2.16,-.38,;-3.49,.38,;-3.49,1.92,;-2.16,2.69,;-4.83,-.38,;-6.16,.38,;-6.16,1.92,;-7.5,-.38,;-8.83,.38,;-10.16,-.38,;-11.5,.38,;-10.16,-1.92,;-8.83,-2.69,;-7.5,-1.92,;-6.16,-2.69,;3.17,2.69,;4.51,1.92,;5.97,2.4,;6.88,1.15,;5.97,-.09,;4.51,.38,;8.42,1.15,;9.19,-.18,;10.73,-.18,;11.5,1.15,;10.73,2.49,;9.19,2.49,)|
Clc1cccc(c1)C(=O)N[C@H]1CC[C@H](CNc2ccccc2)CC1 |r,wU:13.14,wD:10.10,(-8.67,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-6,-.77,;-3.33,-.77,;-3.33,.77,;-2,-1.54,;-.67,-.77,;.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,;.67,1.54,;-.67,.77,)|
FC(F)(F)c1cccc(c1)C(=O)N[C@H]1CC[C@H](CNc2cccc3ncccc23)CC1 |r,wU:16.17,wD:13.13,(-9.34,-2.7,;-8,-1.93,;-8,-.39,;-9.34,-1.16,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-4,-2.7,;-5.33,-1.93,;-2.67,-1.93,;-2.67,-.39,;-1.33,-2.7,;,-1.93,;1.33,-2.69,;2.67,-1.93,;2.67,-.39,;4,.39,;5.33,-.38,;6.67,.39,;8,-.38,;9.34,.39,;9.34,1.93,;8,2.7,;8,4.24,;6.67,5.01,;5.33,4.24,;5.33,2.7,;6.67,1.93,;1.33,.38,;,-.39,)|
Fc1ccc(cc1)-c1cc(NC[C@H]2CC[C@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)[nH]n1 |r,wU:15.19,12.12,(11.96,-2.16,;10.62,-1.39,;9.29,-2.16,;7.96,-1.39,;7.96,.15,;9.29,.92,;10.62,.15,;6.62,.92,;5.16,.44,;4.25,1.69,;2.71,1.69,;1.38,2.46,;.05,1.69,;.05,.15,;-1.29,-.62,;-2.62,.15,;-2.62,1.69,;-1.29,2.46,;-3.96,-.62,;-5.29,.15,;-5.29,1.69,;-6.62,-.62,;-7.96,.15,;-9.29,-.62,;-9.29,-2.16,;-7.96,-2.93,;-6.62,-2.16,;-5.29,-2.93,;-10.62,.15,;-11.96,-.62,;-10.62,1.69,;-11.96,.92,;5.16,2.93,;6.62,2.46,)|
Cc1ccncc1NC[C@H]1CC[C@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F |r,wU:12.16,9.9,(5.33,3.85,;6.67,3.08,;8,3.85,;9.34,3.08,;9.34,1.54,;8,.77,;6.67,1.54,;5.33,.77,;4,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-8,-.77,;-9.34,-1.54,;-8,.77,;-9.34,,)|
CC(Nc1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F |r,wU:9.9,wD:12.16,(4,3.08,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;8,3.85,;6.67,3.08,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-8,-.77,;-9.34,-1.54,;-8,.77,;-9.34,,)|
C[C@H]1CC(CNc2ccccc2)CCC1NC(=O)c1cc(ccc1Cl)C(F)(F)F |r|
Cc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c(C)c1C |r,wU:5.4,wD:8.11,(8.62,1.16,;7.08,1.16,;6.18,2.4,;4.71,1.93,;3.38,2.7,;2.05,1.92,;2.05,.38,;.71,-.38,;-.62,.38,;-.62,1.92,;.71,2.69,;-1.95,-.39,;-3.29,.38,;-3.29,1.92,;-4.62,-.39,;-5.96,.38,;-7.29,-.39,;-8.62,.38,;-7.29,-1.93,;-5.96,-2.7,;-4.62,-1.93,;-3.29,-2.7,;4.71,.39,;3.38,-.38,;6.18,-.09,;6.95,-1.42,)|
Fc1cncc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1 |r,wU:8.7,wD:11.14,(10,.77,;8.67,1.54,;8.67,3.08,;7.34,3.85,;6,3.08,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-8.67,-.77,;-10,-1.54,;-8.67,.77,;-10,,;7.34,.77,)|
Fc1ccc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)nc1 |r,wU:7.6,wD:10.13,(10,3.85,;8.67,3.08,;8.67,1.54,;7.34,.77,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-8.67,-.77,;-10,-1.54,;-8.67,.77,;-10,,;6,3.08,;7.34,3.85,)|
Cc1cc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)ncc1F |r,wU:6.5,wD:9.12,(10,.77,;8.67,1.54,;7.34,.77,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-8.67,-.77,;-10,-1.54,;-8.67,.77,;-10,,;6,3.08,;7.34,3.85,;8.67,3.08,;10,3.85,)|
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CCc1cncc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1 |r,wU:9.8,wD:12.15,(10,-.77,;10,.77,;8.67,1.54,;8.67,3.08,;7.34,3.85,;6,3.08,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-8.67,-.77,;-10,-1.54,;-8.67,.77,;-10,,;7.34,.77,)|
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CCCc1[nH]nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1Br |r,wU:9.8,wD:12.15,(11.11,3.75,;9.57,3.75,;8.8,2.41,;7.26,2.41,;6.36,3.66,;4.89,3.18,;4.89,1.64,;3.56,.87,;2.22,1.64,;.89,.87,;.89,-.67,;-.44,-1.44,;-1.78,-.67,;-1.78,.87,;-.44,1.64,;-3.11,-1.44,;-4.44,-.67,;-4.44,.87,;-5.78,-1.44,;-7.11,-.67,;-8.44,-1.44,;-8.44,-2.98,;-7.11,-3.75,;-5.78,-2.98,;-4.44,-3.75,;-9.78,-.67,;-11.11,-1.44,;-9.78,.87,;-11.11,.1,;6.36,1.17,;7.13,-.17,)|
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Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CNc2cc(n[nH]2)C(F)(F)F)CC1 |r,wU:14.15,wD:11.11,(-4.34,-3.75,;-5.67,-2.98,;-7.01,-3.75,;-8.34,-2.98,;-8.34,-1.44,;-9.68,-.67,;-7.01,-.67,;-5.67,-1.44,;-4.34,-.67,;-4.34,.87,;-3.01,-1.44,;-1.67,-.67,;-.34,-1.44,;.99,-.67,;.99,.87,;2.33,1.64,;3.66,.87,;5,1.64,;6.46,1.17,;7.37,2.41,;6.46,3.66,;5,3.18,;8.91,2.41,;9.68,3.75,;9.68,1.08,;8.14,1.08,;-.34,1.64,;-1.67,.87,)|
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CNc2ccc(F)cn2)CC1 |r,wU:14.15,wD:11.11,(-4,-3.85,;-5.33,-3.08,;-6.67,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-6.67,-.77,;-5.33,-1.54,;-4,-.77,;-4,.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;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,;,1.54,;-1.33,.77,)|
CCCc1cc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n[nH]1 |r,wU:8.7,wD:11.14,(10.27,-.32,;8.78,.08,;8.38,1.56,;6.89,1.96,;5.65,1.06,;4.4,1.96,;3.07,1.19,;1.74,1.96,;.4,1.19,;.4,-.35,;-.93,-1.12,;-2.27,-.35,;-2.27,1.19,;-.93,1.96,;-3.6,-1.12,;-4.93,-.35,;-4.93,1.19,;-6.27,-1.12,;-7.6,-.35,;-8.93,-1.12,;-10.27,-.35,;-8.93,-2.66,;-7.6,-3.43,;-6.27,-2.66,;-4.93,-3.43,;4.88,3.43,;6.42,3.43,)|
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CCc1[nH]nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1C |r,wU:8.7,wD:11.14,(10.19,.08,;9.79,1.56,;8.3,1.96,;7.83,3.43,;6.29,3.43,;5.81,1.96,;4.48,1.19,;3.15,1.96,;1.81,1.19,;1.81,-.35,;.48,-1.12,;-.86,-.35,;-.86,1.19,;.48,1.96,;-2.19,-1.12,;-3.52,-.35,;-3.52,1.19,;-4.86,-1.12,;-6.19,-.35,;-7.52,-1.12,;-7.52,-2.66,;-6.19,-3.43,;-4.86,-2.66,;-3.52,-3.43,;-8.86,-.35,;-10.19,-1.12,;-8.86,1.19,;-10.19,.42,;7.06,1.06,;7.06,-.48,)|
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2ncc3ccccc23)CC1 |r,wU:17.18,wD:14.14,(-8.73,-.45,;-7.39,.32,;-7.39,1.86,;-8.73,1.09,;-6.06,-.45,;-6.06,-1.99,;-4.73,-2.76,;-3.39,-1.99,;-2.06,-2.76,;-3.39,-.45,;-4.73,.32,;-2.06,.32,;-2.06,1.86,;-.73,-.45,;.61,.32,;1.94,-.45,;3.27,.32,;3.27,1.86,;4.61,2.63,;5.94,1.86,;7.19,2.76,;8.43,1.86,;7.96,.39,;8.73,-.94,;7.96,-2.27,;6.42,-2.27,;5.65,-.94,;6.42,.39,;1.94,2.63,;.61,1.86,)|
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2cc3ccccc3n2)CC1 |r,wU:17.18,wD:14.14,(-8.93,-.32,;-7.59,.45,;-7.59,1.99,;-8.93,1.22,;-6.26,-.32,;-6.26,-1.86,;-4.93,-2.63,;-3.59,-1.86,;-2.26,-2.63,;-3.59,-.32,;-4.93,.45,;-2.26,.45,;-2.26,1.99,;-.93,-.32,;.41,.45,;1.74,-.32,;3.08,.45,;3.08,1.99,;4.41,2.76,;5.74,1.99,;7.27,1.83,;7.59,.32,;8.93,-.45,;8.93,-1.99,;7.59,-2.76,;6.26,-1.99,;6.26,-.45,;5.12,.58,;1.74,2.76,;.41,1.99,)|
Cc1nc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:7.6,wD:10.13,(9.26,1.55,;7.78,1.15,;6.87,-.09,;5.41,.38,;4.07,-.38,;5.41,1.93,;4.07,2.69,;2.74,1.93,;2.74,.38,;1.41,-.38,;.07,.38,;.07,1.93,;1.41,2.69,;-1.26,-.38,;-2.6,.38,;-2.6,1.93,;-3.93,-.38,;-5.26,.39,;-6.6,-.38,;-6.6,-1.93,;-5.26,-2.69,;-3.93,-1.93,;-2.6,-2.69,;-7.93,.38,;-9.26,-.38,;-7.93,1.93,;-6.6,1.15,;6.87,2.4,)|
Cc1cc(nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F)N1CCNC1=O |r,wU:7.7,wD:10.14,(2.89,-.44,;4.22,.33,;5.69,-.14,;6.59,1.1,;5.69,2.35,;4.22,1.87,;2.89,2.64,;1.55,1.87,;1.55,.33,;.22,-.44,;-1.11,.33,;-1.11,1.87,;.22,2.64,;-2.45,-.44,;-3.78,.33,;-3.78,1.87,;-5.11,-.44,;-6.45,.33,;-7.78,-.44,;-7.78,-1.98,;-6.45,-2.75,;-5.11,-1.98,;-3.78,-2.75,;-9.12,.33,;-10.45,-.44,;-9.12,1.87,;-10.45,1.1,;8.08,1.5,;8.98,2.75,;10.45,2.27,;10.45,.73,;8.98,.26,;8.21,-1.08,)|
Cc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c(C)c1Cl |r,wU:5.4,wD:8.11,(9.25,2.63,;7.91,1.86,;6.67,2.76,;5.42,1.86,;4.09,2.63,;2.76,1.86,;2.76,.32,;1.42,-.45,;.09,.32,;.09,1.86,;1.42,2.63,;-1.25,-.45,;-2.58,.32,;-2.58,1.86,;-3.91,-.45,;-5.25,.32,;-6.58,-.45,;-6.58,-1.99,;-5.25,-2.76,;-3.91,-1.99,;-2.58,-2.76,;-7.91,.32,;-9.25,-.45,;-7.91,1.86,;-9.25,1.09,;5.9,.39,;5.13,-.94,;7.44,.39,;8.21,-.94,)|
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Cc1cc(nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Cl)cnc1C)C(F)(F)F |r,wU:7.7,wD:10.14,(2.91,-.88,;4,.21,;5.46,-.26,;6.37,.98,;5.46,2.23,;4,1.75,;2.66,2.52,;1.33,1.75,;1.33,.21,;-.01,-.56,;-1.34,.21,;-1.34,1.75,;-.01,2.52,;-2.67,-.56,;-4.01,.21,;-4.01,1.75,;-5.34,-.56,;-6.67,.21,;-8.01,-.56,;-9.34,.21,;-8.01,-2.1,;-6.67,-2.87,;-5.34,-2.1,;-4.01,-2.87,;7.85,1.38,;8.25,2.87,;8.94,.29,;9.34,1.78,)|
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(N)=O
CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(N)=O
N[C@H]1CCCC[C@@H]1NC(=O)c1c2N[C@@H]3CCCC[C@H]3Nc2c2C(=O)c3ccccc3-c3ncnc1c23
NCCNC(=O)c1c2N[C@H]3CCCC[C@@H]3Nc2c2C(=O)c3ccccc3-c3ncnc1c23
CCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(8.04,5.07,;8.6,3.62,;7.63,2.42,;8.19,1,;9.71,.75,;10.69,1.96,;12.21,1.72,;7.21,-.22,;7.79,-1.64,;6.81,-2.85,;7.37,-4.29,;5.29,-2.62,;4.73,-1.18,;3.28,-.64,;2.04,-1.54,;2.21,-3.07,;.96,-3.98,;-.46,-3.35,;-1.71,-4.26,;-.62,-1.82,;.64,-.91,;.48,.63,;3.35,.88,;2.15,1.84,;4.84,1.3,;5.69,.02,)|
COCCN(CCOC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCN(CCOC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCN(CC1CC1)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
COCCN(CCOC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
CCCN(CCC)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(10.69,-3.51,;9.36,-2.74,;9.36,-1.2,;8.01,-.43,;8.01,1.11,;9.34,1.88,;9.34,3.42,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
CCCCN(CC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(Cl)cc(OC)cc1OC
CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC
CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(OC)cc(OC)cc2OC)c1C
CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)|
COCCN(CCOC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SC
CCCN(CCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SCC
CCSc1c(Nc2c(C)cc(C)cc2C)nc(C)nc1N(CCOC)CCOC
CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SCC
CCCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
CCCN(Cc1ccccc1)c1nc(C)nc(Nc2ccc(C)cc2)n1
CCCN(CC1CC1)c1nc(C)nc(Nc2ccc(C)cc2C)n1
CCCCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
CCCN(CC1CC1)c1nc(C)nc(Nc2ccc(C)cc2)n1
CCCCN(CCCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
CCc1cccc(CC)c1Nc1nc(C)nc(n1)N(CC=C)CC=C
CCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
Cc1ccc(Nc2nc(C)nc(n2)N(CC=C)CC=C)cc1
Cc1cc(C)c(Nc2nc(C)nc(n2)N(CC=C)CC=C)c(C)c1
CCCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cccc2C)n1
CCCN(CCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
Cc1nc(NCc2ccc(cc2)C(F)(F)F)nc(Nc2c(C)cccc2C)n1
CCCN(CC1CC1)c1nc(C)nc(Nc2ccc(OC)cc2OC)n1
CCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cccc2C)n1
CN(CCc1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
CCCN(CC1CC1)c1nc(C)nc(Nc2c(CC)cccc2CC)n1
CCCN(Cc1ccccc1)c1nc(C)nc(Nc2c(CC)cccc2CC)n1
Cc1ccc(Nc2nc(C)nc(NCc3ccc(cc3)C(F)(F)F)n2)cc1
CCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cccc2C)n1
CCN(Cc1ccccc1)c1nc(C)nc(Nc2c(CC)cccc2CC)n1
Cc1cc(C)c(Nc2nc(C)nc(n2)N2CCC=CC2)c(C)c1 |c:18|
Cc1nc(Nc2c(C)cccc2C)nc(n1)N(CC=C)CC=C
CCCN(CC1CC1)c1nc(CC)nc(Nc2c(C)cc(C)cc2C)n1
Cc1cc(C)c(Nc2nc(C)nc(NCc3ccc(cc3)C(F)(F)F)n2)c(C)c1
CCc1cccc(CC)c1Nc1nc(C)nc(NCc2ccc(cc2)C(F)(F)F)n1
CCN(Cc1ccccc1)c1nc(C)nc(Nc2ccc(C)cc2)n1
CCCN(CC1CC1)c1cc(Nc2cc(Cl)c(Cl)cc2Cl)nc(C)n1
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
CCCN(CC1CC1)c1nc(C)nc(N(C)c2c(Cl)cc(Cl)cc2Cl)c1C
CCCN(CC1CC1)c1cc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)n1
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C
CCCN(CC1CC1)c1cc(Nc2c(Cl)cc(Cl)cc2Cl)nc(C)n1
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Br
CCCN(CC1CC1)c1nc(C)cc(Nc2c(Cl)cc(Cl)cc2Cl)n1
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1CC
CCCN(CCC)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C
CCCN(CC1CC1)c1cc(Nc2c(Cl)cc(Cl)cc2Cl)ncn1
CCCN(CC1CC1)c1cc(Nc2c(C)cc(C)cc2C)nc(C)n1
CCN(C\C=C\C)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(7.05,-2.18,;6.86,-3.71,;5.44,-4.3,;4.32,-3.2,;2.85,-3.59,;1.76,-2.5,;.26,-2.9,;5.44,-5.84,;4.11,-6.61,;4.11,-8.15,;2.78,-8.92,;5.44,-8.92,;6.77,-8.15,;8.24,-8.63,;9.15,-7.38,;8.24,-6.12,;8.72,-4.67,;6.77,-6.61,;8.73,-10.1,;7.7,-11.23,;6.19,-10.92,;8.17,-12.7,;9.67,-13.02,;10.16,-14.49,;10.71,-11.86,;10.23,-10.41,;11.25,-9.26,)|
CCNc1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(1.1,1.51,;2.59,1.9,;3.69,.81,;3.7,-.73,;2.38,-1.51,;2.38,-3.05,;1.03,-3.82,;3.7,-3.82,;5.04,-3.05,;6.51,-3.53,;7.42,-2.27,;6.51,-1.02,;6.97,.43,;5.04,-1.5,;6.99,-4.99,;8.48,-5.3,;9.5,-4.15,;8.95,-6.76,;7.93,-7.91,;8.41,-9.37,;6.43,-7.58,;5.95,-6.13,;4.43,-5.81,)|
CCCCNc1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-1.47,2.21,;.02,2.6,;1.1,1.51,;2.59,1.9,;3.69,.81,;3.7,-.73,;2.38,-1.51,;2.38,-3.05,;1.03,-3.82,;3.7,-3.82,;5.04,-3.05,;6.51,-3.53,;7.42,-2.27,;6.51,-1.02,;6.97,.43,;5.04,-1.5,;6.99,-4.99,;8.48,-5.3,;9.5,-4.15,;8.95,-6.76,;7.93,-7.91,;8.41,-9.37,;6.43,-7.58,;5.95,-6.13,;4.43,-5.81,)|
Cc1cn(-c2c(C)cc(C)cc2C)c2nc(C)nc(N)c12 |(6.98,.43,;6.51,-1.03,;7.42,-2.27,;6.51,-3.53,;6.99,-5,;8.48,-5.3,;9.51,-4.16,;8.96,-6.76,;7.93,-7.91,;8.41,-9.38,;6.43,-7.58,;5.95,-6.13,;4.44,-5.81,;5.04,-3.05,;3.71,-3.82,;2.38,-3.05,;1.03,-3.82,;2.38,-1.51,;3.71,-.73,;3.69,.81,;5.04,-1.5,)|
CCCCN(CC)c1cc(C)nc2c(cnn12)-c1ccc(Cl)cc1Cl
CCCCN(OC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(8.63,4.31,;8.65,2.78,;7.31,2.01,;7.32,.47,;5.97,-.32,;4.65,.47,;4.65,2.01,;5.97,-1.86,;4.65,-2.63,;4.65,-4.18,;3.31,-4.94,;5.97,-4.94,;7.31,-4.18,;8.78,-4.66,;9.71,-3.4,;11.25,-3.4,;8.78,-2.13,;7.31,-2.63,;9.26,-6.12,;10.77,-6.42,;11.25,-7.88,;10.22,-9.04,;10.68,-10.49,;8.71,-8.71,;8.23,-7.25,;6.73,-6.92,)|
CCCCNc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(8.63,4.31,;8.65,2.78,;7.31,2.01,;7.32,.47,;5.97,-.32,;5.97,-1.86,;4.65,-2.63,;4.65,-4.18,;3.31,-4.94,;5.97,-4.94,;7.31,-4.18,;8.78,-4.66,;9.71,-3.4,;11.25,-3.4,;8.78,-2.13,;7.31,-2.63,;9.26,-6.12,;10.77,-6.42,;11.25,-7.88,;10.22,-9.04,;10.68,-10.49,;8.71,-8.71,;8.23,-7.25,;6.73,-6.92,)|
CCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.35,2.01,;7.38,.47,;6.03,-.32,;4.69,.45,;4.69,1.99,;3.34,2.76,;3.34,4.31,;6.03,-1.86,;4.69,-2.63,;4.69,-4.18,;3.37,-4.94,;6.03,-4.94,;7.35,-4.18,;8.82,-4.66,;9.75,-3.4,;11.29,-3.4,;8.82,-2.13,;7.35,-2.63,;9.3,-6.12,;10.81,-6.42,;11.29,-7.88,;10.26,-9.04,;10.74,-10.49,;8.76,-8.71,;8.28,-7.25,;6.77,-6.92,)|
CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1c(Cl)cc(Cl)cc1Cl |(8.21,4.32,;8.21,2.78,;6.89,2.01,;6.89,.47,;5.55,-.32,;4.23,.45,;4.23,1.99,;5.55,-1.86,;4.23,-2.63,;4.23,-4.18,;2.89,-4.95,;5.55,-4.95,;6.89,-4.18,;8.36,-4.66,;9.29,-3.4,;10.81,-3.4,;8.36,-2.13,;6.89,-2.63,;8.84,-6.12,;10.35,-6.42,;11.38,-5.27,;10.83,-7.88,;9.81,-9.04,;10.26,-10.49,;8.3,-8.72,;7.82,-7.25,;6.31,-6.92,)|
CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccccc1
Cc1nn2c(cc(C)nc2c1-c1ccc(Cl)cc1Cl)N1CCCCC1 |(11.25,-2.63,;9.71,-2.63,;8.78,-1.36,;7.31,-1.86,;5.97,-1.09,;4.65,-1.86,;4.65,-3.41,;3.31,-4.18,;5.97,-4.18,;7.31,-3.41,;8.78,-3.89,;9.26,-5.35,;10.77,-5.65,;11.25,-7.11,;10.22,-8.27,;10.68,-9.72,;8.71,-7.95,;8.23,-6.48,;6.73,-6.15,;5.97,.45,;7.32,1.24,;7.32,2.78,;5.99,3.56,;4.65,2.78,;4.65,1.24,)|
CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccccc1Cl |(8.21,3.42,;8.21,1.88,;6.89,1.11,;6.89,-.43,;5.55,-1.22,;4.23,-.45,;4.23,1.09,;5.55,-2.76,;4.23,-3.52,;4.23,-5.07,;2.89,-5.84,;5.55,-5.84,;6.89,-5.07,;8.36,-5.55,;9.29,-4.29,;10.81,-4.29,;8.36,-3.02,;6.89,-3.52,;8.84,-7.02,;7.82,-8.15,;8.3,-9.61,;9.81,-9.93,;10.83,-8.78,;10.35,-7.32,;11.38,-6.16,)|
CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(17.18,-6.55,;17.15,-8.09,;15.79,-8.82,;15.75,-10.36,;17.06,-11.17,;17.01,-12.71,;18.31,-13.5,;15.65,-13.44,;14.4,-11.1,;14.35,-12.63,;12.98,-13.38,;12.93,-14.91,;11.67,-12.57,;11.72,-11.01,;10.61,-9.94,;11.28,-8.56,;10.55,-7.21,;12.81,-8.78,;13.09,-10.29,;9.11,-10.22,;8.1,-9.04,;6.59,-9.31,;6.08,-10.76,;4.57,-11.03,;7.07,-11.93,;8.59,-11.67,;9.57,-12.83,)|
CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(3.7,2.11,;2.35,2.88,;1.03,2.11,;-.31,2.86,;-1.64,2.07,;-2.97,2.84,;-4.32,2.07,;-1.64,.53,;-2.97,-.24,;-2.97,-1.78,;-4.29,-2.55,;-1.63,-2.53,;-.29,-1.76,;1.19,-2.22,;2.06,-.96,;3.6,-.94,;1.15,.28,;-.31,-.22,;1.68,-3.67,;.65,-4.82,;1.13,-6.29,;2.64,-6.59,;3.15,-8.05,;3.67,-5.42,;3.18,-3.96,;4.18,-2.8,)|
Cc1nn2c(cc(C)nc2c1-c1ccc(Cl)cc1Cl)N1CCOCC1 |(11.25,-2.67,;9.71,-2.67,;8.78,-1.39,;7.31,-1.9,;5.97,-1.13,;4.65,-1.9,;4.65,-3.44,;3.31,-4.21,;5.97,-4.21,;7.31,-3.44,;8.78,-3.92,;9.26,-5.39,;10.77,-5.68,;11.25,-7.16,;10.22,-8.31,;10.68,-9.75,;8.72,-7.99,;8.24,-6.52,;6.73,-6.2,;5.97,.41,;7.32,1.21,;7.32,2.75,;5.99,3.51,;4.65,2.75,;4.65,1.21,)|
CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1
CCCC1CCCCN1c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(11.28,.47,;9.94,1.24,;8.62,.47,;7.28,1.24,;7.28,2.78,;5.94,3.56,;4.61,2.78,;4.61,1.24,;5.94,.45,;5.94,-1.09,;4.61,-1.86,;4.61,-3.41,;3.28,-4.18,;5.94,-4.18,;7.27,-3.41,;8.75,-3.89,;9.68,-2.63,;11.21,-2.63,;8.75,-1.36,;7.27,-1.86,;9.23,-5.35,;10.73,-5.65,;11.21,-7.11,;10.19,-8.27,;10.65,-9.72,;8.68,-7.95,;8.2,-6.48,;6.7,-6.15,)|
CCN(c1nc(C)nc(n1)N(CC=C)CC=C)c1ccc(OC(F)(F)F)cc1Br
CCCN(C1CC1)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCCN(CCC#N)c1nc(C)nc(n1)N(CC)c1ccc(cc1C(F)(F)F)N(C)C
CCCN(CCOC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)=O
CCCCN(Cc1nnnn1C)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCCN(CCC#N)c1nc(C)nc(n1)N(CC)c1ccc(cc1C)N(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1c(Br)cc(cc1SC)C(C)C
CCN(c1nc(C)cc(C)n1)c1c(Br)cc(cc1OC)N(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1c(Cl)cc(OC)cc1Cl
CCN(CC)c1nc(C)nc(n1)N(CC)c1ccc(cc1Br)N(C)C
CN(c1ccc(I)cc1)c1nc(C)cc(C)n1
CCN(CC)c1cc(C)nc(n1)N(CC)c1c(Br)cc(Br)cc1OC
CCN(c1nc(C)nc(NCC=C)n1)c1ccc(cc1Br)C(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)S(C)(=O)=O
CCN(CC)c1nc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)=O
CCCCc1ccc(N(CC)c2nc(C)cc(C)n2)c(Br)c1
CCCCN(CC#N)c1nc(C)nc(n1)N(CC)c1ccc(cc1C(F)(F)F)N(C)C
CCN(c1nc(C)cc(C)n1)c1c(Br)cc(cc1SC)C(C)C
CCN(c1nc(C)cc(C)n1)c1ccc(cc1Br)C(C)(C)C
CCC(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(C)n1)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)nc(n1)N(CC=C)CC=C)c1ccc(cc1Br)N(C)C
CCN(c1ccc(cc1)C(C)C)c1nc(C)cc(C)n1
CCN(c1nc(C)cc(C)n1)c1ccc(cc1I)C(C)C
CCN(c1nc(C)nc(n1)N1CCOCC1)c1c(Br)cc(OC)cc1OC
CCN(c1nc(C)cc(C)n1)c1ccc(cc1SC)N(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1c(Cl)cc(OC)cc1OC
CCN(c1nc(C)cc(n1)N(CCOC)Cc1ccccc1)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)N1CCCCC1)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(C)n1)c1ccc(cc1C(F)(F)F)N(C)C
CCN(Cc1ccccc1)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCC(CC)CNc1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(SC)cc1Br
CCCCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)=O
CCCCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1c(Br)cc(OC)cc1OC
CCCN(CCC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCCCN(CC)c1nc(C)nc(n1)N(CC)c1c(C)cc(C)cc1C
CCN(c1nc(C)cc(n1)N1CCOCC1)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)nc(n1)N(CCOC)CCOC)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)nc(n1)N(CC1CC1)CC1CC1)c1ccc(cc1C(F)(F)F)N(C)C
CCN(c1nc(C)cc(C)n1)c1ccc(OC)cc1Br
CCCCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(I)cc1Br
CCN(c1nc(C)cc(C)n1)c1ccc(OC)cc1SC
CCN(c1nc(CC)cc(CC)n1)c1ccc(cc1Br)C(C)C
CN(c1ccccc1Br)c1nc(C)cc(C)n1
CCN(CC)c1cc(C)nc(n1)N(CC)c1c(Cl)cc(Br)cc1Cl
CCN(CC)c1nc(C)nc(n1)N(CC)c1ccc(cc1C(F)(F)F)N(C)C
CCCN(CCC)c1nc(C)nc(n1)N(CC)c1ccc(cc1C)N(C)C
CCN(c1nc(C)cc(C)n1)c1ccc(cc1SC)C(C)C
CCC(CC)Nc1nc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(I)cc1Br
CCCCN(Cc1nnn[nH]1)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCCN(CC1CC1)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCCCN(CCC#N)c1nc(C)nc(n1)N(CC)c1ccc(cc1C)N(C)C
CCN(c1ccc(cc1C)N(C)C)c1nc(C)cc(C)n1
CCN(c1nc(C)cc(C)n1)c1c(Br)cc(cc1OC)C(C)C
CCCN(CC1CC1)c1nc(C)nc(n1)N(CC)c1ccc(cc1C(F)(F)F)N(C)C
CCN(c1nc(C)nc(n1)N(CCOC)CC1CC1)c1c(C)cc(C)cc1C
CCCN(CCC)c1nc(C)nc(n1)N(CC)c1ccc(cc1C(F)(F)F)N(C)C
CN(c1ccc(C)cc1Br)c1nc(C)cc(C)n1
CCN(c1nc(C)cc(n1)N1CCNCC1)c1ccc(cc1Br)C(C)C
CCCCN(CC)c1nc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCCN(CCC)c1nc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)nc(n1)N(CC=C)CC=C)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)nc(n1)N(CC=C)C1CC1)c1ccc(cc1Br)C(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1c(Br)cc(cc1OC)C(C)=O
CN(c1ccccc1I)c1nc(C)cc(C)n1
CCN(c1nc(C)cc(C)n1)c1ccccc1Br
CCCCN(CC)c1nc(C)nc(n1)N(CC)c1ccc(OC(F)(F)F)cc1Br
CCN(CCOC)c1nc(C)nc(n1)N(CC)c1c(C)cc(C)cc1C
CCc1ccc(N(C)c2nc(C)cc(C)n2)c(Br)c1
CCN(CC)c1nc(C)nc(n1)N(CC)c1c(Br)cc(OC)cc1OC
CCN(CC)c1nc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCCCN(CCOC)c1nc(C)nc(n1)N(CC)c1c(C)cc(C)cc1C
CCCCN(CC#N)c1nc(C)nc(n1)N(CC)c1ccc(cc1C)N(C)C
CCN(c1nc(C)cc(C)n1)c1ccc(cc1SC)C(C)=O
CC(C)c1ccc(N(C)c2nc(C)cc(C)n2)c(Br)c1
CCN(c1nc(C)cc(n1)N(CCOC)CCOC)c1ccc(cc1Br)C(C)C
CCN(CCOC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
CCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)N(C)C
CCN(c1nc(C)cc(C)n1)c1c(Br)cc(OC)cc1OC
CCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1C(F)(F)F)N(C)C
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(Cl)cc(OC)cc1OC |(15.38,-2.71,;14.03,-1.94,;12.71,-2.71,;11.37,-1.94,;10.04,-2.71,;8.7,-1.94,;8.7,-.4,;10.04,-4.25,;8.7,-5.02,;8.7,-6.55,;7.36,-7.32,;10.04,-7.32,;11.37,-6.55,;12.82,-7.04,;13.73,-5.79,;12.82,-4.55,;11.37,-5.02,;13.15,-8.54,;14.62,-9,;15.76,-7.98,;14.94,-10.51,;13.8,-11.54,;14.15,-13.05,;13.01,-14.1,;12.33,-11.07,;12.01,-9.56,;10.54,-9.09,;9.4,-10.13,)|
CCC(CCOC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
CCC(COC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1SC)C(C)C
COCC(Cc1ccccc1)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCC(Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C)C(=O)OC
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1ccc(SC)cc1Br
COCCN(CCOC)c1cc(C)nc2n(nnc12)-c1ccc(cc1SC)C(C)C
CCCC(Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C)C(=O)N(C)C
CCCCN(CC)c1cc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(6.09,-3.06,;7.42,-2.29,;8.76,-3.06,;10.1,-2.29,;11.42,-3.06,;12.75,-2.29,;12.75,-.75,;14.08,.02,;14.08,1.58,;11.42,-4.6,;10.1,-5.37,;10.1,-6.9,;8.74,-7.69,;11.42,-7.67,;12.75,-6.9,;14.22,-7.37,;15.12,-6.13,;16.66,-6.15,;14.22,-4.89,;14.68,-3.42,;12.75,-5.37,;14.85,-8.78,;16.38,-8.95,;17.29,-7.7,;17.01,-10.35,;16.1,-11.6,;16.71,-13.02,;14.57,-11.44,;13.94,-10.03,;12.4,-9.88,)|
CCCCC(CCCC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCCC(CC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCN(CC1CC1)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(Br)cc(OC)cc1OC |(13.26,-.73,;11.93,.04,;10.59,-.73,;9.26,.02,;7.91,-.75,;6.58,.02,;5.24,-.76,;7.92,-2.29,;6.59,-3.06,;6.59,-4.61,;5.24,-5.38,;7.92,-5.38,;9.26,-4.6,;10.73,-5.08,;11.64,-3.83,;10.73,-2.58,;9.26,-3.06,;11.2,-6.55,;12.7,-6.86,;13.73,-5.71,;13.19,-8.31,;12.16,-9.47,;12.63,-10.95,;11.6,-12.09,;10.64,-9.15,;10.17,-7.69,;8.66,-7.37,;7.63,-8.52,)|
CCCCC(CC)Oc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(C)cc(C)nc1C |(15.45,-3.09,;14.12,-2.32,;12.79,-3.09,;11.44,-2.32,;10.11,-3.09,;8.78,-2.32,;8.78,-.78,;10.11,-4.63,;8.78,-5.4,;8.78,-6.94,;7.43,-7.71,;10.11,-7.71,;11.44,-6.94,;12.91,-7.42,;13.81,-6.17,;12.91,-4.93,;11.44,-5.4,;13.24,-8.92,;12.09,-9.95,;10.62,-9.48,;12.42,-11.46,;13.89,-11.93,;14.23,-13.44,;15.03,-10.9,;14.7,-9.39,;15.84,-8.36,)|
CCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCCC(CC)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(8.12,-8.03,;8.12,-6.47,;9.45,-5.7,;9.45,-4.16,;10.78,-3.39,;10.78,-1.84,;9.45,-1.07,;12.12,-4.16,;12.12,-5.7,;10.78,-6.47,;10.78,-8.01,;9.43,-8.78,;12.12,-8.78,;13.45,-8.01,;14.91,-8.48,;15.8,-7.23,;14.91,-6,;13.45,-6.47,;15.24,-9.99,;16.69,-10.46,;17.83,-9.43,;17.02,-11.95,;15.89,-13,;16.22,-14.5,;14.42,-12.51,;14.09,-11.02,;12.62,-10.55,)|
COCCN(CCOC)c1nc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C |(13.93,1.76,;13.93,.21,;12.61,-.56,;12.61,-2.1,;11.28,-2.86,;9.94,-2.1,;8.62,-2.86,;7.29,-2.1,;5.95,-2.86,;11.28,-4.4,;9.94,-5.16,;9.94,-6.69,;8.61,-7.48,;11.28,-7.46,;12.61,-6.69,;14.05,-7.16,;14.96,-5.93,;16.49,-5.94,;14.05,-4.69,;12.61,-5.16,;14.68,-8.57,;13.77,-9.8,;14.4,-11.21,;15.93,-11.38,;16.84,-10.13,;16.21,-8.73,;17.12,-7.48,;16.55,-12.79,;18.07,-12.96,;15.63,-14.03,)|
COCCN(CCOC)c1ncnc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCCN(CC)c1nc(C)nc2n(c(nc12)C(F)(F)F)-c1ccc(cc1Br)C(C)C |(12.23,1.79,;12.23,.23,;10.9,-.54,;10.9,-2.08,;9.57,-2.85,;8.22,-2.08,;6.89,-2.85,;9.57,-4.39,;8.22,-5.16,;8.22,-6.7,;6.88,-7.47,;9.57,-7.47,;10.9,-6.7,;12.35,-7.17,;13.26,-5.93,;12.35,-4.69,;10.9,-5.16,;14.8,-5.95,;16.34,-5.96,;14.79,-7.47,;14.8,-4.41,;12.68,-8.68,;11.55,-9.71,;11.88,-11.21,;13.33,-11.69,;14.47,-10.65,;14.15,-9.15,;15.41,-8.29,;13.66,-13.21,;12.51,-14.24,;15.13,-13.7,)|
CCCCNc1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(15.45,-2.99,;14.12,-2.22,;12.77,-2.99,;11.44,-2.22,;10.11,-2.99,;10.11,-4.53,;8.77,-5.3,;8.77,-6.84,;7.43,-7.59,;10.11,-7.59,;11.44,-6.84,;12.9,-7.31,;13.8,-6.05,;15.34,-6.05,;12.9,-4.81,;13.38,-3.34,;11.44,-5.3,;13.23,-8.8,;14.68,-9.29,;15.83,-8.24,;15.01,-10.79,;13.88,-11.81,;14.22,-13.33,;12.41,-11.35,;12.09,-9.85,;10.62,-9.38,)|
CCC(CC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCCN(CC)c1cc(C)nc2n(nnc12)-c1ccc(cc1SC)C(C)C
COCCCNc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCCN(CC)c1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
CCN(C(COC)COC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(16.77,-3.13,;15.44,-2.36,;14.11,-3.13,;12.76,-2.36,;11.43,-3.13,;10.1,-2.36,;10.1,-.82,;8.77,-.05,;8.77,1.51,;11.43,-4.67,;10.1,-5.44,;10.1,-6.98,;8.75,-7.75,;11.43,-7.75,;12.76,-6.98,;14.23,-7.45,;15.13,-6.2,;14.23,-4.97,;12.76,-5.44,;14.56,-8.95,;16.02,-9.43,;17.16,-8.39,;16.34,-10.92,;15.21,-11.96,;15.55,-13.46,;13.74,-11.48,;13.41,-9.99,;11.94,-9.52,)|
Cc1c(C)c2c(nc(C)nc2n1-c1c(C)cc(C)cc1C)N1CCOCC1 |(15.38,-7.3,;13.84,-7.29,;12.94,-6.04,;13.4,-4.57,;11.47,-6.51,;10.14,-5.74,;8.81,-6.51,;8.81,-8.05,;7.46,-8.84,;10.14,-8.81,;11.47,-8.05,;12.94,-8.53,;13.57,-9.93,;12.66,-11.18,;11.12,-11.03,;13.29,-12.59,;14.82,-12.75,;15.43,-14.17,;15.73,-11.49,;15.1,-10.1,;16.01,-8.84,;10.14,-4.2,;8.81,-3.43,;8.81,-1.89,;10.14,-1.12,;11.49,-1.89,;11.49,-3.43,)|
COCCN(CCOC)c1nc(C)nc2n(cnc12)-c1c(Br)cc(OC)cc1OC |(8.65,1.91,;8.65,.36,;9.98,-.4,;9.98,-1.94,;11.32,-2.71,;12.65,-1.94,;13.99,-2.71,;15.32,-1.94,;16.66,-2.71,;11.32,-4.25,;9.98,-5.02,;9.98,-6.55,;8.64,-7.32,;11.32,-7.32,;12.65,-6.55,;14.1,-7.04,;15.01,-5.79,;14.1,-4.55,;12.65,-5.02,;14.43,-8.54,;15.9,-9,;17.04,-7.98,;16.22,-10.51,;15.08,-11.54,;15.43,-13.05,;14.29,-14.1,;13.61,-11.07,;13.29,-9.56,;11.82,-9.09,;10.68,-10.13,)|
CCCC(CC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCC(COC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCC(COC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCC(Cc1ccccc1)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(-3.84,2.89,;-3.99,1.35,;-2.75,.46,;-2.89,-1.08,;-4.29,-1.71,;-5.55,-.82,;-6.93,-1.47,;-8.18,-.57,;-8.04,.97,;-6.64,1.6,;-5.38,.72,;-1.63,-1.97,;-1.63,-3.51,;-2.96,-4.29,;-2.96,-5.83,;-4.29,-6.6,;-1.63,-6.6,;-.3,-5.68,;.92,-6.38,;2.13,-5.68,;2.13,-4.28,;-.3,-4.28,;.92,-7.92,;-.41,-8.69,;-1.74,-7.92,;-.41,-10.23,;.92,-11,;.93,-12.54,;2.26,-10.22,;2.25,-8.68,;3.58,-7.91,)|
CCN(CCOC)c1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1c(Br)cc(OC)cc1N(C)C |(16.67,-2.74,;15.34,-1.97,;14,-2.74,;12.65,-1.97,;11.32,-2.74,;9.99,-1.97,;9.99,-.43,;8.66,.34,;8.66,1.89,;11.32,-4.28,;9.99,-5.05,;9.99,-6.59,;8.64,-7.36,;11.32,-7.36,;12.65,-6.59,;14.12,-7.07,;15.03,-5.82,;14.12,-4.58,;12.65,-5.05,;14.45,-8.57,;15.92,-9.04,;17.06,-8.01,;16.25,-10.55,;15.1,-11.58,;15.43,-13.1,;14.28,-14.12,;13.63,-11.09,;13.31,-9.6,;11.77,-9.6,;11,-8.26,;11,-10.92,)|
CCCCNc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCNc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(8.82,1.53,;8.82,-.01,;10.15,-.78,;10.15,-2.33,;11.49,-3.1,;11.49,-4.64,;10.15,-5.41,;10.15,-6.95,;8.8,-7.71,;11.49,-7.71,;12.82,-6.95,;14.28,-7.43,;15.17,-6.17,;14.28,-4.93,;12.82,-5.41,;14.61,-8.92,;16.06,-9.4,;17.2,-8.36,;16.39,-10.9,;15.26,-11.93,;15.59,-13.45,;13.79,-11.46,;13.46,-9.96,;11.99,-9.5,)|
CCCCN(CCCC)c1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(Br)cc1Br
CC(C)c1ccc(c(Br)c1)-n1nnc2c(nc(C)nc12)N1CCCC1
COCCN(Cc1cccnc1)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCC(COC)Oc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
COCC(C)(C)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCN(Cc1ccccc1)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCC(COC)N(C)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCCC(CC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)S(C)(=O)=O
CCCCN(CC)c1nc(C)nc2n(c(C)nc12)-c1c(Cl)cc(OC)cc1OC |(12.72,1.93,;12.72,.39,;11.39,-.38,;11.39,-1.94,;10.06,-2.71,;8.73,-1.94,;7.38,-2.71,;10.06,-4.25,;8.73,-5.02,;8.73,-6.56,;7.38,-7.33,;10.06,-7.33,;11.39,-6.56,;12.86,-7.03,;13.75,-5.79,;15.29,-5.79,;12.86,-4.53,;11.39,-5.02,;13.49,-8.43,;15.01,-8.59,;15.92,-7.35,;15.64,-10.01,;14.73,-11.25,;15.36,-12.68,;16.9,-12.86,;13.21,-11.09,;12.58,-9.69,;11.04,-9.53,;10.13,-10.79,)|
CC(C)c1ccc(c(Br)c1)-n1nnc2c(nc(C)nc12)N(CCO)CCO
COCC(COC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCCN(CC)c1nc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C |(12.64,1.78,;12.64,.23,;11.31,-.54,;11.31,-2.08,;9.99,-2.85,;8.64,-2.08,;7.32,-2.85,;9.99,-4.38,;8.64,-5.15,;8.64,-6.69,;7.31,-7.46,;9.99,-7.46,;11.31,-6.69,;12.76,-7.15,;13.67,-5.92,;15.21,-5.94,;12.76,-4.68,;11.31,-5.15,;13.39,-8.57,;12.49,-9.81,;13.11,-11.22,;14.65,-11.38,;15.56,-10.13,;14.93,-8.73,;15.84,-7.48,;15.27,-12.8,;16.79,-12.97,;14.35,-14.04,)|
CCOCC(COCC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCCN(CC)c1cc(C)nc2n(nnc12)-c1ccc(cc1S(C)(=O)=O)C(C)C
CCCCN(CC)c1cc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C |(12.66,1.93,;12.66,.37,;11.33,-.4,;11.33,-1.94,;10,-2.71,;8.67,-1.94,;7.32,-2.71,;10,-4.25,;8.67,-5.02,;8.67,-6.55,;7.32,-7.34,;10,-7.32,;11.33,-6.55,;12.79,-7.02,;13.68,-5.79,;15.22,-5.8,;12.79,-4.54,;11.33,-5.02,;13.42,-8.43,;12.51,-9.68,;13.14,-11.09,;14.66,-11.25,;15.57,-10,;14.94,-8.6,;15.85,-7.35,;15.29,-12.67,;16.82,-12.85,;14.38,-13.92,)|
CCCCN(CC)c1ncnc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1C(F)(F)F)N(C)C
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1ccc(cc1C(F)(F)F)N(C)C
CC(C)c1ccc(c(Br)c1)-n1nnc2c(NC3CCCC3)nc(C)nc12
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1ccc(Br)cc1Br
CCC(CO)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCN(CCOC)c1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(14.15,-3.1,;12.82,-2.33,;11.49,-3.1,;10.15,-2.33,;10.15,-.78,;8.82,-.01,;8.82,1.53,;11.49,-4.64,;10.15,-5.41,;10.15,-6.95,;8.8,-7.71,;11.49,-7.71,;12.82,-6.95,;14.28,-7.43,;15.17,-6.17,;14.28,-4.93,;12.82,-5.41,;14.61,-8.92,;16.06,-9.4,;17.2,-8.36,;16.39,-10.9,;15.26,-11.93,;15.59,-13.45,;13.79,-11.46,;13.46,-9.96,;11.99,-9.5,)|
CCCC(CCC)Nc1nc(C)nc2n(nnc12)-c1ccc(Br)cc1Br
CCCCN(CCCC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(cnc12)-c1c(C)cc(C)cc1C |(16.78,-3.1,;15.45,-2.33,;14.1,-3.1,;12.77,-2.33,;11.44,-3.1,;10.1,-2.33,;10.1,-.78,;8.77,-.01,;8.77,1.53,;11.44,-4.64,;10.1,-5.41,;10.1,-6.95,;8.76,-7.71,;11.44,-7.71,;12.77,-6.95,;14.23,-7.43,;15.13,-6.17,;14.23,-4.93,;12.77,-5.41,;14.56,-8.92,;16.01,-9.4,;17.16,-8.36,;16.34,-10.9,;15.21,-11.93,;15.55,-13.45,;13.74,-11.46,;13.42,-9.96,;11.95,-9.5,)|
COCCN(CCOC)c1cc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCC(CC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1c(Cl)cc(OC)cc1OC |(8.71,1.89,;8.71,.34,;10.04,-.43,;10.04,-1.97,;11.37,-2.74,;12.7,-1.97,;14.05,-2.74,;15.38,-1.97,;16.71,-2.74,;11.37,-4.28,;10.04,-5.05,;10.04,-6.59,;8.69,-7.36,;11.37,-7.36,;12.7,-6.59,;14.17,-7.07,;15.07,-5.82,;14.17,-4.58,;12.7,-5.05,;14.5,-8.57,;15.96,-9.04,;17.1,-8.01,;16.29,-10.55,;15.15,-11.58,;15.49,-13.09,;14.36,-14.14,;13.68,-11.11,;13.35,-9.6,;11.88,-9.13,;10.74,-10.17,)|
CCC(CO)Nc1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(10.09,-.89,;11.42,-1.66,;11.42,-3.2,;12.76,-3.97,;14.1,-3.2,;10.09,-3.97,;10.09,-5.51,;8.76,-6.28,;8.76,-7.82,;7.4,-8.59,;10.09,-8.59,;11.42,-7.82,;12.89,-8.29,;13.79,-7.05,;15.33,-7.05,;12.89,-5.82,;13.35,-4.35,;11.42,-6.28,;13.21,-9.81,;14.68,-10.27,;15.82,-9.25,;15,-11.78,;13.87,-12.82,;14.21,-14.33,;12.4,-12.34,;12.07,-10.83,;10.6,-10.37,)|
CCCCC(CC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCO)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCN(CCN(C)C)c1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1)C(C)C
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(15.45,-3.1,;14.1,-2.33,;12.78,-3.1,;11.44,-2.33,;10.11,-3.1,;8.77,-2.33,;8.77,-.78,;10.11,-4.64,;8.77,-5.41,;8.77,-6.94,;7.43,-7.7,;10.11,-7.7,;11.44,-6.94,;12.89,-7.42,;13.8,-6.16,;12.89,-4.92,;11.44,-5.41,;13.22,-8.91,;14.69,-9.39,;15.83,-8.35,;15.01,-10.89,;13.87,-11.91,;14.22,-13.43,;12.4,-11.45,;12.08,-9.95,;10.61,-9.48,)|
COCCN(CC=C)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCC(COC)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(8.83,-1.07,;10.16,-1.85,;10.16,-3.4,;8.83,-4.17,;8.83,-5.71,;7.5,-6.48,;11.5,-4.17,;11.5,-5.71,;10.16,-6.48,;10.16,-8.02,;8.82,-8.79,;11.5,-8.79,;12.84,-8.02,;14.3,-8.49,;15.2,-7.24,;14.3,-6,;12.84,-6.48,;14.63,-10,;16.08,-10.48,;17.23,-9.44,;16.41,-11.97,;15.28,-13.01,;15.62,-14.52,;13.81,-12.53,;13.48,-11.04,;12.01,-10.57,)|
COCCN(CCOC)c1cc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C |(13.97,1.76,;13.97,.21,;12.64,-.56,;12.64,-2.11,;11.31,-2.87,;9.98,-2.11,;8.65,-2.87,;7.3,-2.11,;5.97,-2.87,;11.31,-4.41,;9.98,-5.18,;9.98,-6.72,;8.63,-7.5,;11.31,-7.49,;12.64,-6.72,;14.11,-7.19,;15.01,-5.95,;16.55,-5.97,;14.11,-4.71,;12.64,-5.18,;14.74,-8.6,;13.83,-9.84,;14.46,-11.26,;15.99,-11.42,;16.9,-10.17,;16.27,-8.76,;17.18,-7.51,;16.6,-12.84,;15.69,-14.08,;18.14,-13.01,)|
CCCCN(CC)c1nc(C)nc2n(cnc12)-c1c(Cl)cc(OC)cc1OC |(15.41,-2.57,;14.07,-1.8,;12.72,-2.57,;11.39,-1.8,;10.06,-2.57,;8.73,-1.8,;8.73,-.24,;10.06,-4.11,;8.73,-4.88,;8.73,-6.42,;7.38,-7.19,;10.06,-7.19,;11.39,-6.42,;12.86,-6.89,;13.75,-5.63,;12.86,-4.39,;11.39,-4.88,;13.18,-8.38,;14.64,-8.87,;15.78,-7.82,;14.96,-10.37,;13.84,-11.39,;14.17,-12.91,;13.04,-13.96,;12.37,-10.93,;12.04,-9.43,;10.57,-8.96,;9.43,-9.99,)|
CCCC(C)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(7.49,-6.03,;8.82,-5.26,;8.82,-3.72,;10.15,-2.95,;10.15,-1.4,;11.49,-3.72,;11.49,-5.26,;10.15,-6.03,;10.15,-7.57,;8.8,-8.34,;11.49,-8.34,;12.82,-7.57,;14.28,-8.03,;15.17,-6.79,;14.28,-5.55,;12.82,-6.03,;14.61,-9.54,;16.06,-10.02,;17.2,-8.98,;16.39,-11.51,;15.26,-12.55,;15.59,-14.05,;13.79,-12.07,;13.46,-10.58,;11.99,-10.11,)|
CCCCN(CC)c1nc(C)nc2n(cnc12)-c1c(Br)cc(OC)cc1OC |(15.36,-2.57,;14.02,-1.8,;12.68,-2.57,;11.35,-1.8,;10.02,-2.57,;8.68,-1.8,;8.68,-.24,;10.02,-4.11,;8.68,-4.88,;8.68,-6.42,;7.33,-7.19,;10.02,-7.19,;11.35,-6.42,;12.81,-6.89,;13.7,-5.63,;12.81,-4.39,;11.35,-4.88,;13.14,-8.38,;14.59,-8.87,;15.73,-7.82,;14.92,-10.37,;13.79,-11.39,;14.12,-12.91,;13,-13.96,;12.32,-10.93,;11.99,-9.43,;10.52,-8.96,;9.38,-9.99,)|
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCC(CN(C)C)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCC(CCC)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(7.49,-7.24,;8.82,-6.47,;8.82,-4.93,;10.15,-4.16,;10.15,-2.61,;8.82,-1.84,;8.82,-.29,;11.49,-4.93,;11.49,-6.47,;10.15,-7.24,;10.15,-8.78,;8.8,-9.55,;11.49,-9.55,;12.82,-8.78,;14.28,-9.25,;15.17,-8,;14.28,-6.77,;12.82,-7.24,;14.61,-10.76,;16.06,-11.23,;17.2,-10.2,;16.39,-12.72,;15.26,-13.77,;15.59,-15.27,;13.79,-13.28,;13.46,-11.79,;11.99,-11.32,)|
CCC(CC)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(8.12,-1.07,;9.45,-1.84,;9.45,-3.39,;8.12,-4.16,;8.12,-5.7,;10.79,-4.16,;10.79,-5.7,;9.45,-6.47,;9.45,-8.01,;8.1,-8.78,;10.79,-8.78,;12.12,-8.01,;13.58,-8.48,;14.47,-7.23,;13.58,-6,;12.12,-6.47,;13.91,-9.99,;15.36,-10.46,;16.5,-9.43,;15.69,-11.95,;14.56,-13,;14.89,-14.5,;13.09,-12.51,;12.76,-11.02,;11.29,-10.55,)|
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(OC(F)(F)F)cc1Br
COCCN(CCOC)c1cc(C)nc2n(nnc12)-c1ccc(cc1S(C)(=O)=O)C(C)C
CCC(CC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1c(Br)cc(OC)cc1OC |(8.66,1.89,;8.66,.34,;9.99,-.43,;9.99,-1.97,;11.32,-2.74,;12.65,-1.97,;14,-2.74,;15.34,-1.97,;16.67,-2.74,;11.32,-4.28,;9.99,-5.05,;9.99,-6.59,;8.64,-7.36,;11.32,-7.36,;12.65,-6.59,;14.12,-7.07,;15.03,-5.82,;14.12,-4.58,;12.65,-5.05,;14.45,-8.57,;15.91,-9.04,;17.06,-8.01,;16.24,-10.55,;15.1,-11.58,;15.45,-13.09,;14.31,-14.14,;13.63,-11.11,;13.31,-9.6,;11.84,-9.13,;10.69,-10.17,)|
COCCNc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCN(CC)c1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)N(C)C
CCCCN(CC)c1nc(C)nc2n(cnc12)-c1c(C)cc(C)cc1C |(15.44,-2.95,;14.11,-2.18,;12.78,-2.95,;11.43,-2.18,;10.1,-2.95,;8.77,-2.18,;8.77,-.63,;10.1,-4.48,;8.77,-5.25,;8.77,-6.79,;7.42,-7.56,;10.1,-7.56,;11.43,-6.79,;12.9,-7.26,;13.8,-6.02,;12.9,-4.78,;11.43,-5.25,;13.23,-8.77,;14.69,-9.24,;15.83,-8.21,;15.01,-10.73,;13.88,-11.77,;14.22,-13.27,;12.41,-11.29,;12.08,-9.8,;10.62,-9.33,)|
CC(C)c1ccc(c(Br)c1)-n1nnc2c(nc(C)nc12)N1CCCCC1
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1S(C)(=O)=O)C(C)C
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)=O
CCC(CC)Oc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
CCCCN(CC)c1nc(C)nc2n(c(nc12)-c1ccccc1)-c1c(Cl)cc(OC)cc1OC |(11.43,1.92,;11.43,.39,;10.1,-.38,;10.1,-1.93,;8.78,-2.69,;7.44,-1.93,;6.12,-2.69,;8.78,-4.23,;7.44,-4.99,;7.44,-6.53,;6.11,-7.3,;8.78,-7.29,;10.1,-6.53,;11.55,-7,;12.46,-5.77,;11.55,-4.51,;10.1,-4.99,;13.71,-4.86,;13.55,-3.33,;14.8,-2.42,;16.21,-3.07,;16.36,-4.6,;15.1,-5.49,;12.18,-8.39,;13.71,-8.55,;14.62,-7.32,;14.34,-9.96,;13.43,-11.2,;14.05,-12.62,;15.58,-12.8,;11.9,-11.04,;11.27,-9.65,;9.74,-9.48,;8.85,-10.74,)|
COCCCN(CCOC)c1nc(C)nc2n(cnc12)-c1c(Cl)cc(OC)cc1OC |(8.01,2.58,;9.34,1.81,;9.34,.27,;10.67,-.5,;10.67,-2.05,;12.02,-2.82,;13.35,-2.05,;14.68,-2.82,;16.01,-2.05,;17.36,-2.82,;12.02,-4.36,;10.67,-5.13,;10.67,-6.67,;9.33,-7.44,;12.02,-7.44,;13.35,-6.67,;14.8,-7.15,;15.71,-5.89,;14.8,-4.65,;13.35,-5.13,;15.13,-8.64,;16.6,-9.12,;17.74,-8.08,;16.92,-10.62,;15.78,-11.65,;16.13,-13.17,;14.99,-14.22,;14.31,-11.18,;13.98,-9.68,;12.51,-9.22,;11.37,-10.25,)|
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1c(C)cc(C)nc1C |(16.78,-3.11,;15.45,-2.34,;14.1,-3.11,;12.77,-2.34,;11.44,-3.11,;10.1,-2.34,;10.1,-.8,;8.77,-.03,;8.77,1.52,;11.44,-4.65,;10.1,-5.42,;10.1,-6.96,;8.76,-7.73,;11.44,-7.73,;12.77,-6.96,;14.23,-7.44,;15.13,-6.19,;14.23,-4.95,;12.77,-5.42,;14.56,-8.94,;13.42,-9.97,;11.95,-9.5,;13.74,-11.48,;15.21,-11.95,;15.55,-13.46,;16.34,-10.92,;16.01,-9.41,;17.16,-8.38,)|
CCCC(CCC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
CCC(COC)N(C)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
CCCCN(CC)c1nc(C)nc2n(c(CCCC)nc12)-c1c(Cl)cc(OC)cc1OC |(11.13,1.93,;11.13,.39,;9.8,-.38,;9.8,-1.94,;8.47,-2.71,;7.12,-1.94,;5.79,-2.71,;8.47,-4.25,;7.12,-5.02,;7.12,-6.56,;5.79,-7.33,;8.47,-7.33,;9.8,-6.56,;11.25,-7.03,;12.16,-5.79,;13.7,-5.79,;14.47,-4.46,;16.01,-4.46,;16.78,-3.13,;11.25,-4.53,;9.8,-5.02,;11.88,-8.43,;13.42,-8.59,;14.33,-7.35,;14.05,-10.01,;13.14,-11.25,;13.77,-12.68,;15.31,-12.86,;11.6,-11.09,;10.97,-9.69,;9.43,-9.53,;8.54,-10.79,)|
CCN(CC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
COCCNc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
NCCNC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
NCCNC(=O)c1c2N[C@@H]3CCCC[C@@H]3N=c2c2c(O)c3ccccc3c3ncnc1c23 |c:16|
NCCNC(=O)c1c2N[C@@H]3CCCC[C@H]3N=c2c2c(O)c3ccccc3c3ncnc1c23 |c:16|
N[C@H]1CCCC[C@H]1NC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
N[C@@H]1CCCC[C@H]1NC(=O)c1c2N[C@H]3CCCC[C@@H]3N=c2c2c(O)c3ccccc3c3ncnc1c23 |c:21|
NCCNC(=O)c1c2NCCN=c2c2c(O)c3ccccc3c3ncnc1c23 |c:11|
CCCCN(CC)c1nc(C)nc2n(c(Cl)nc12)-c1ccc(cc1Br)C(C)C |(-1.35,.74,;-1.35,-.8,;.01,-1.57,;.01,-3.11,;1.36,-3.87,;2.69,-3.1,;2.69,-1.56,;1.36,-5.41,;.03,-6.18,;.03,-7.73,;-1.3,-8.5,;1.36,-8.5,;2.71,-7.71,;4.18,-8.17,;5.07,-6.94,;6.61,-6.93,;4.16,-5.69,;2.69,-6.18,;4.65,-9.64,;3.62,-10.79,;4.11,-12.26,;5.63,-12.56,;6.66,-11.41,;6.17,-9.94,;7.26,-8.85,;6.1,-14.02,;5.09,-15.17,;7.61,-14.33,)|
CCCCN(CC)c1nc(C)nc2n(c(OCC3CC3)nc12)-c1ccc(cc1Br)C(C)C |(4.18,-.66,;4.18,-2.2,;5.51,-2.97,;5.54,-4.51,;6.87,-5.27,;8.22,-4.5,;8.2,-2.96,;6.89,-6.81,;5.56,-7.58,;5.56,-9.13,;4.21,-9.9,;6.89,-9.9,;8.22,-9.12,;9.69,-9.59,;10.6,-8.34,;12.14,-8.33,;12.91,-9.66,;14.45,-9.64,;15.8,-10.41,;15.78,-8.87,;9.69,-7.09,;8.22,-7.58,;10.18,-11.04,;9.15,-12.19,;9.64,-13.66,;11.15,-13.96,;12.18,-12.81,;11.69,-11.35,;12.77,-10.25,;11.64,-15.42,;13.14,-15.73,;10.62,-16.57,)|
CCCCC(CC)Nc1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12 |(1.82,2.47,;3.15,1.7,;3.16,.16,;4.49,-.61,;4.5,-2.15,;3.17,-2.92,;1.83,-2.15,;5.84,-2.92,;5.86,-4.46,;4.53,-5.23,;4.53,-6.77,;3.18,-7.54,;5.86,-7.54,;7.19,-6.77,;8.66,-7.23,;9.15,-8.69,;10.65,-8.99,;11.67,-7.82,;11.14,-10.45,;10.11,-11.6,;10.6,-13.07,;8.61,-11.3,;8.13,-9.83,;6.61,-9.52,;9.57,-5.98,;11.11,-5.97,;8.66,-4.74,;9.12,-3.27,;7.19,-5.23,)|
CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)[nH]c12 |(4.67,-.63,;4.67,-2.17,;6.02,-2.94,;6.03,-4.48,;7.37,-5.23,;8.69,-4.46,;8.69,-2.92,;7.38,-6.77,;6.05,-7.56,;6.05,-9.1,;4.71,-9.87,;7.38,-9.87,;8.73,-9.08,;10.2,-9.55,;10.67,-11.02,;9.64,-12.16,;10.13,-13.63,;11.64,-13.94,;12.67,-12.77,;12.18,-11.32,;13.19,-10.16,;12.13,-15.4,;11.11,-16.55,;13.63,-15.71,;11.09,-8.29,;12.63,-8.29,;10.18,-7.05,;8.71,-7.54,)|
COCCN(CCOC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(2.57,2.28,;2.57,.74,;3.9,-.03,;3.92,-1.57,;5.26,-2.33,;6.6,-1.56,;6.59,-.02,;7.92,.76,;7.92,2.3,;5.27,-3.87,;3.94,-4.64,;3.94,-6.19,;2.6,-6.96,;5.27,-6.96,;6.61,-6.18,;8.08,-6.65,;8.57,-8.1,;7.54,-9.25,;8.03,-10.72,;9.53,-11.02,;10.55,-9.87,;10.06,-8.41,;11.09,-7.26,;10.02,-12.49,;8.99,-13.63,;11.53,-12.79,;8.99,-5.4,;10.53,-5.39,;8.07,-4.15,;8.54,-2.69,;6.61,-4.64,)|
CCC(COC)Nc1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(2.12,-2.45,;3.46,-3.21,;4.79,-2.44,;4.79,-.9,;3.44,-.12,;3.44,1.42,;6.14,-3.21,;6.15,-4.75,;4.82,-5.52,;4.82,-7.06,;3.48,-7.83,;6.15,-7.83,;7.49,-7.06,;8.97,-7.53,;9.44,-8.99,;8.41,-10.13,;8.9,-11.59,;10.41,-11.91,;11.44,-10.75,;10.95,-9.29,;11.96,-8.13,;10.9,-13.36,;12.41,-13.68,;9.88,-14.52,;9.86,-6.27,;11.4,-6.27,;8.95,-5.03,;9.42,-3.56,;7.48,-5.52,)|
CCCCN(CC)c1cc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(-6.64,.67,;-6.63,-.87,;-5.3,-1.64,;-5.29,-3.18,;-3.94,-3.95,;-2.61,-3.18,;-2.61,-1.64,;-3.94,-5.49,;-5.27,-6.26,;-5.27,-7.8,;-6.6,-8.57,;-3.94,-8.57,;-2.59,-7.8,;-1.12,-8.27,;-.65,-9.71,;-1.67,-10.86,;-1.18,-12.33,;.33,-12.63,;1.36,-11.49,;.87,-10.02,;1.96,-8.92,;.82,-14.1,;2.33,-14.4,;-.2,-15.24,;-.21,-7.01,;1.33,-7.01,;-1.14,-5.77,;-.67,-4.3,;-2.59,-6.26,)|
CCCCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12 |(5.81,1.7,;5.81,.16,;4.48,-.61,;4.5,-2.15,;5.84,-2.91,;7.18,-2.14,;7.17,-.61,;5.85,-4.45,;4.52,-5.22,;4.52,-6.77,;3.18,-7.54,;5.85,-7.54,;7.19,-6.76,;8.66,-7.23,;9.15,-8.68,;10.64,-8.98,;11.66,-7.82,;11.13,-10.44,;10.1,-11.59,;10.59,-13.06,;8.6,-11.29,;8.12,-9.82,;6.61,-9.51,;9.57,-5.98,;11.11,-5.97,;8.65,-4.73,;9.12,-3.27,;7.19,-5.22,)|
CCCCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)nc3C)c(=O)n(C)c12 |(8.8,2.19,;8.8,.65,;7.47,-.12,;7.49,-1.66,;6.14,-2.43,;4.81,-1.68,;4.79,-.14,;6.16,-3.97,;4.83,-4.76,;4.83,-6.3,;3.48,-7.07,;6.16,-7.07,;7.5,-6.28,;8.97,-6.75,;9.46,-8.22,;8.43,-9.36,;6.91,-9.04,;8.91,-10.83,;10.41,-11.14,;10.9,-12.6,;11.44,-9.97,;10.95,-8.52,;11.98,-7.36,;9.88,-5.51,;11.42,-5.49,;8.96,-4.25,;9.43,-2.8,;7.5,-4.74,)|
CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(CC3CC3)c12 |(4.67,-.63,;4.67,-2.17,;6.02,-2.94,;6.03,-4.48,;7.37,-5.23,;8.69,-4.46,;8.69,-2.92,;7.38,-6.77,;6.05,-7.56,;6.05,-9.1,;4.71,-9.87,;7.38,-9.87,;8.73,-9.08,;10.2,-9.55,;10.67,-11.02,;9.64,-12.16,;10.13,-13.63,;11.64,-13.94,;12.67,-12.77,;12.18,-11.32,;13.19,-10.16,;12.13,-15.4,;11.11,-16.55,;13.63,-15.71,;11.09,-8.29,;12.63,-8.29,;10.18,-7.05,;10.65,-5.6,;12.14,-5.26,;13.61,-5.72,;13.28,-4.22,;8.71,-7.54,)|
CCCCN(CC)c1nc(C)nc2n(c(OC)nc12)-c1ccc(cc1Br)C(C)C |(5.24,-4.86,;5.24,-6.4,;6.57,-7.17,;6.59,-8.71,;7.92,-9.48,;9.28,-8.71,;9.25,-7.17,;7.95,-11.02,;6.61,-11.79,;6.61,-13.33,;5.26,-14.1,;7.95,-14.1,;9.28,-13.33,;10.75,-13.8,;11.66,-12.54,;13.2,-12.54,;13.74,-13.32,;10.75,-11.3,;9.28,-11.79,;11.24,-15.24,;10.21,-16.39,;10.7,-17.86,;12.21,-18.16,;13.24,-17.02,;12.75,-15.55,;13.83,-14.45,;12.7,-19.63,;11.67,-20.78,;14.2,-19.94,)|
COCCNc1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(2.57,2.28,;2.57,.74,;3.9,-.03,;3.92,-1.57,;5.26,-2.33,;5.27,-3.87,;3.94,-4.64,;3.94,-6.19,;2.6,-6.96,;5.27,-6.96,;6.61,-6.18,;8.08,-6.65,;8.57,-8.1,;7.54,-9.25,;8.03,-10.72,;9.53,-11.02,;10.55,-9.87,;10.06,-8.41,;11.09,-7.26,;10.02,-12.49,;8.99,-13.63,;11.53,-12.79,;8.99,-5.4,;10.53,-5.39,;8.07,-4.15,;8.54,-2.69,;6.61,-4.64,)|
COCCN(Cc1ccccc1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(.52,2.98,;.52,1.44,;1.87,.67,;1.87,-.87,;3.22,-1.63,;4.56,-.86,;4.55,.68,;3.2,1.44,;3.2,2.98,;4.53,3.75,;5.88,2.99,;5.88,1.45,;3.23,-3.17,;1.9,-3.94,;1.9,-5.49,;.56,-6.26,;3.23,-6.26,;4.56,-5.48,;6.04,-5.95,;6.52,-7.4,;5.49,-8.55,;5.98,-10.02,;7.49,-10.32,;8.52,-9.17,;8.03,-7.71,;9.04,-6.56,;7.98,-11.79,;9.48,-12.09,;6.95,-12.93,;6.94,-4.7,;8.48,-4.69,;6.03,-3.45,;6.49,-1.99,;4.56,-3.94,)|
CCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(8.08,-1.62,;6.75,-2.41,;6.77,-3.95,;5.44,-4.72,;4.09,-3.95,;2.76,-4.72,;1.24,-4.74,;2.01,-6.07,;5.44,-6.26,;4.11,-7.03,;4.11,-8.57,;2.78,-9.34,;5.44,-9.34,;6.8,-8.57,;8.27,-9.04,;8.75,-10.5,;7.72,-11.64,;8.2,-13.1,;9.71,-13.42,;10.74,-12.26,;10.25,-10.8,;11.27,-9.64,;10.2,-14.87,;9.18,-16.03,;11.71,-15.19,;9.17,-7.78,;10.71,-7.78,;8.24,-6.54,;8.71,-5.07,;6.79,-7.03,)|
CCCN(CCC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(2.75,-1.64,;4.09,-2.41,;4.09,-3.95,;5.44,-4.72,;6.77,-3.95,;6.75,-2.41,;8.08,-1.62,;5.44,-6.26,;4.11,-7.03,;4.11,-8.57,;2.78,-9.34,;5.44,-9.34,;6.8,-8.57,;8.27,-9.04,;8.75,-10.5,;7.72,-11.64,;8.2,-13.1,;9.71,-13.42,;10.74,-12.26,;10.25,-10.8,;11.27,-9.64,;10.2,-14.87,;11.71,-15.19,;9.18,-16.03,;9.17,-7.78,;10.71,-7.78,;8.24,-6.54,;8.71,-5.07,;6.79,-7.03,)|
CCCCN(CC)c1nc(C)cc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(-6.53,1.54,;-6.53,,;-5.2,-.77,;-5.18,-2.31,;-3.84,-3.08,;-2.49,-2.31,;-2.51,-.77,;-3.82,-4.62,;-5.15,-5.39,;-5.15,-6.93,;-6.51,-7.7,;-3.82,-7.7,;-2.49,-6.93,;-1.02,-7.4,;-.53,-8.86,;-1.56,-10,;-1.07,-11.47,;.44,-11.77,;1.47,-10.63,;.98,-9.16,;2.06,-8.06,;.92,-13.24,;2.44,-13.55,;-.09,-14.39,;-.11,-6.14,;1.43,-6.14,;-1.02,-4.9,;-.55,-3.43,;-2.49,-5.39,)|
CCCCC(CC)Nc1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(2.57,2.29,;3.9,1.53,;3.92,-.01,;5.26,-.78,;5.26,-2.32,;3.93,-3.09,;2.6,-2.33,;6.61,-3.09,;6.61,-4.63,;5.28,-5.4,;5.28,-6.94,;3.95,-7.71,;6.61,-7.71,;7.96,-6.94,;9.43,-7.4,;9.92,-8.87,;8.89,-10.01,;9.36,-11.46,;10.88,-11.78,;11.91,-10.62,;11.42,-9.17,;12.44,-8.01,;11.37,-13.24,;12.88,-13.56,;10.34,-14.4,;10.34,-6.14,;11.88,-6.14,;9.41,-4.91,;9.88,-3.44,;7.96,-5.4,)|
CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(4.5,1.47,;3.17,2.22,;1.83,1.45,;.48,2.21,;-.83,1.44,;-2.18,2.21,;-3.51,1.42,;-.83,-.1,;-2.16,-.86,;-2.16,-2.41,;-3.5,-3.18,;-.83,-3.18,;.51,-2.41,;1.98,-2.86,;2.47,-4.33,;1.44,-5.45,;1.95,-6.94,;3.46,-7.22,;4.48,-6.07,;3.98,-4.61,;5,-3.46,;3.94,-8.7,;2.95,-9.85,;5.45,-8.99,;2.88,-1.61,;4.42,-1.59,;1.96,-.38,;2.71,.96,;.5,-.86,)|
CCCN(CC1CC1)c1nc(C)nc2n(-c3c(C)cc(C)nc3C)c(=O)n(C)c12 |(9.04,.76,;7.71,-.01,;7.72,-1.55,;6.38,-2.32,;5.04,-1.56,;5.02,-.02,;5.79,1.31,;4.25,1.3,;6.39,-3.86,;5.06,-4.64,;5.06,-6.18,;3.72,-6.95,;6.39,-6.95,;7.73,-6.17,;9.2,-6.63,;9.69,-8.1,;8.66,-9.25,;7.15,-8.92,;9.15,-10.71,;10.65,-11.02,;11.14,-12.48,;11.67,-9.85,;11.18,-8.41,;12.21,-7.24,;10.11,-5.39,;11.65,-5.37,;9.19,-4.14,;9.66,-2.68,;7.73,-4.63,)|
COCCN(CCOC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12 |(3.04,1.21,;3.06,-.33,;4.39,-1.1,;4.39,-2.64,;5.75,-3.39,;7.08,-2.62,;7.08,-1.08,;8.41,-.31,;8.4,1.23,;5.75,-4.93,;4.42,-5.72,;4.42,-7.26,;3.09,-8.03,;5.75,-8.03,;7.1,-7.24,;8.57,-7.71,;9.05,-9.18,;10.55,-9.48,;11.57,-8.31,;11.04,-10.93,;10.02,-12.09,;10.51,-13.56,;8.5,-11.78,;8.03,-10.32,;6.52,-9.99,;9.47,-6.46,;11.01,-6.45,;8.55,-5.21,;9.01,-3.76,;7.09,-5.7,)|
CCN(CCOC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(4.55,.68,;4.56,-.86,;3.22,-1.63,;1.87,-.87,;1.87,.67,;.52,1.44,;.52,2.98,;3.23,-3.17,;1.9,-3.94,;1.9,-5.49,;.56,-6.26,;3.23,-6.26,;4.56,-5.48,;6.04,-5.95,;6.52,-7.4,;5.49,-8.55,;5.98,-10.02,;7.49,-10.32,;8.52,-9.17,;8.03,-7.71,;9.04,-6.56,;7.98,-11.79,;9.48,-12.09,;6.95,-12.93,;6.94,-4.7,;8.48,-4.69,;6.03,-3.45,;6.49,-1.99,;4.56,-3.94,)|
CCCN(CC1CC1)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12 |(3.16,.16,;4.49,-.61,;4.5,-2.15,;5.84,-2.92,;7.19,-2.15,;7.17,-.61,;7.94,.72,;6.4,.72,;5.86,-4.46,;4.53,-5.23,;4.53,-6.77,;3.18,-7.54,;5.86,-7.54,;7.19,-6.77,;8.66,-7.23,;9.15,-8.69,;10.65,-8.99,;11.67,-7.82,;11.14,-10.45,;10.11,-11.6,;10.6,-13.07,;8.61,-11.3,;8.13,-9.83,;6.61,-9.52,;9.57,-5.98,;11.11,-5.97,;8.66,-4.74,;9.12,-3.27,;7.19,-5.23,)|
COCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(.52,2.98,;.52,1.44,;1.87,.67,;1.87,-.87,;3.22,-1.63,;4.56,-.86,;4.55,.68,;5.32,2.01,;3.78,2.01,;3.23,-3.17,;1.9,-3.94,;1.9,-5.49,;.56,-6.26,;3.23,-6.26,;4.56,-5.48,;6.04,-5.95,;6.52,-7.4,;5.49,-8.55,;5.98,-10.02,;7.49,-10.32,;8.52,-9.17,;8.03,-7.71,;9.04,-6.56,;7.98,-11.79,;9.48,-12.09,;6.95,-12.93,;6.94,-4.7,;8.48,-4.69,;6.03,-3.45,;6.49,-1.99,;4.56,-3.94,)|
CCCN(CCC)c1nc(C)nc2n(-c3c(C)cc(C)nc3C)c(=O)n(C)c12 |(11.67,.18,;10.34,-.59,;10.34,-2.13,;9.01,-2.9,;7.66,-2.15,;7.65,-.61,;6.31,.16,;9.01,-4.44,;7.68,-5.23,;7.68,-6.77,;6.35,-7.54,;9.01,-7.54,;10.36,-6.75,;11.83,-7.22,;12.3,-8.69,;11.28,-9.83,;9.78,-9.5,;11.77,-11.29,;13.28,-11.6,;13.77,-13.07,;14.3,-10.44,;13.81,-8.99,;14.82,-7.82,;12.72,-5.97,;14.26,-5.96,;11.81,-4.72,;12.28,-3.27,;10.34,-5.21,)|
CCCCN(CC)c1nc(C)nc2n(c(nc12)N1CCOCC1)-c1ccc(cc1Br)C(C)C |(7.36,-.85,;7.36,-2.36,;8.69,-3.16,;8.71,-4.7,;10.04,-5.44,;11.39,-4.67,;11.37,-3.13,;10.06,-6.98,;8.73,-7.78,;8.73,-9.32,;7.38,-10.09,;10.06,-10.09,;11.39,-9.29,;12.86,-9.76,;13.77,-8.52,;12.86,-7.26,;11.39,-7.75,;15.31,-8.5,;16.08,-9.83,;17.62,-9.83,;18.39,-8.5,;17.6,-7.17,;16.06,-7.17,;13.35,-11.23,;14.85,-11.53,;15.34,-12.98,;14.31,-14.15,;12.82,-13.84,;12.33,-12.37,;10.83,-12.06,;14.8,-15.61,;16.31,-15.92,;13.77,-16.76,)|
CCN(c1nc(C)cc(n1)-c1ccccc1C#N)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1C(F)(F)F)c1ccc(cc1Br)C(C)=O
CCN(c1nc(C)cc(n1)-c1cccnc1)c1c(Br)cc(OC)cc1OC
CCN(c1nc(C)cc(n1)-c1ccccc1OC)c1c(Br)cc(OC)cc1OC
CCN(c1nc(C)cc(n1)-c1ccccn1)c1c(Br)cc(OC)cc1OC
CCN(c1nc(C)cc(n1)-c1ccccc1N(C)C)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1Cl)c1c(Br)cc(OC)cc1OC
CCN(c1nc(C)cc(n1)-c1c(C)cc(C)cc1C)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1C(F)(F)F)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1C(O)=O)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1-c1ccccc1)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1C)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1Cl)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1C(F)(F)F)c1c(Br)cc(cc1OC)N(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1C(F)(F)F)c1c(Br)cc(OC)cc1OC
CCN(c1nc(C)cc(n1)-c1cccc(c1)-c1ccccc1)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1)c1c(Br)cc(OC)cc1OC
CCN(c1nc(C)cc(n1)-c1ccccc1C(F)(F)F)c1ccc(SC)cc1Br
CCN(c1nc(C)cc(n1)-c1ccccc1F)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1[N+]([O-])=O)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1cccc2ccccc12)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1C(F)(F)F)c1ccc(Br)cc1Br
CCN(c1nc(C)cc(n1)-c1ccccc1N)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1NC)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1c(C)cc(C)nc1C)c1c(C)cc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1cccc(c1)C(F)(F)F)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1c(Cl)cccc1Cl)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1Br)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1-c1nnn[nH]1)c1ccc(cc1Br)C(C)C
CCN(c1nc(C)cc(n1)-c1ccccc1C(F)(F)F)c1ccc(cc1Br)S(C)(=O)=O
COc1cc(Br)c(c(OC)c1)-n1c(C)nc2c(nc(C)nc12)-c1ccccc1C(F)(F)F |(10.58,-12.06,;11.63,-10.93,;11.18,-9.46,;9.67,-9.12,;9.22,-7.64,;7.73,-7.29,;10.27,-6.52,;11.77,-6.86,;12.82,-5.72,;14.33,-6.07,;12.23,-8.33,;9.81,-5.06,;10.71,-3.81,;12.25,-3.81,;9.8,-2.57,;8.34,-3.04,;7.01,-2.27,;5.67,-3.04,;5.67,-4.58,;4.32,-5.37,;7.01,-5.35,;8.34,-4.58,;7.01,-.73,;8.34,.04,;8.34,1.59,;7.01,2.36,;5.68,1.59,;5.68,.04,;4.32,-.75,;5.12,-2.08,;2.99,-1.52,;3.55,.6,)|
Cc1cc(C)c(c(C)c1)-n1nnc2c(nc(C)nc12)-c1ccccc1C(F)(F)F |(10.16,-13.45,;9.74,-11.95,;8.24,-11.56,;7.84,-10.09,;6.33,-9.71,;8.92,-8.99,;10.41,-9.38,;11.48,-8.29,;10.81,-10.86,;8.52,-7.5,;9.41,-6.26,;8.52,-5.02,;7.05,-5.49,;5.72,-4.72,;4.39,-5.49,;4.39,-7.03,;3.04,-7.82,;5.72,-7.8,;7.05,-7.03,;5.72,-3.17,;7.05,-2.4,;7.05,-.85,;5.72,-.08,;4.39,-.86,;4.39,-2.4,;3.04,-3.18,;1.7,-3.97,;2.26,-1.84,;3.83,-4.53,)|
CCN(c1nc(C)nc(n1)-c1ccccc1C(F)(F)F)c1ccc(cc1Br)C(C)C
COc1cc(Br)c(Nc2nc(C)nc(-c3ccccc3C(F)(F)F)c2[N+]([O-])=O)c(OC)c1
COc1cc(Br)c(c(OC)c1)-n1c2nc(C)nc(-c3ccccc3C(F)(F)F)c2[nH]c1=O |(10.57,-12.06,;11.62,-10.92,;11.18,-9.45,;9.66,-9.12,;9.22,-7.64,;7.73,-7.29,;10.27,-6.52,;11.76,-6.86,;12.81,-5.72,;14.32,-6.07,;12.23,-8.33,;9.8,-5.06,;8.34,-4.58,;7.01,-5.35,;5.67,-4.58,;4.32,-5.37,;5.67,-3.04,;7.01,-2.27,;7.01,-.73,;8.34,.04,;8.34,1.59,;7.01,2.36,;5.68,1.59,;5.68,.04,;4.32,-.75,;2.99,-1.52,;3.55,.6,;5.12,-2.08,;8.34,-3.04,;9.8,-2.57,;10.71,-3.81,;12.25,-3.81,)|
CCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C
CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(-c3ccccc3C(F)(F)F)c12 |(9.33,.71,;7.83,.39,;7.37,-1.07,;8.26,-2.31,;7.37,-3.55,;7.85,-5.02,;9.34,-5.32,;10.36,-4.19,;9.83,-6.79,;8.78,-7.95,;9.27,-9.41,;7.27,-7.62,;6.81,-6.16,;5.3,-5.85,;5.9,-3.07,;4.56,-3.86,;3.23,-3.07,;1.9,-3.84,;3.23,-1.54,;4.57,-.77,;4.56,.77,;5.9,1.55,;5.9,3.1,;4.56,3.87,;3.23,3.09,;3.23,1.55,;1.9,.78,;.4,1.35,;1.65,-.8,;.7,.09,;5.9,-1.54,)|
COc1cc(Br)c(Nc2nc(C)nc(c2N)-c2ccccc2C(F)(F)F)c(OC)c1
Cc1c(C)c2c(nc(C)nc2n1-c1c(C)cc(C)cc1C)-c1ccccc1C(F)(F)F |(10.94,-6.24,;9.41,-6.24,;8.5,-5,;8.98,-3.54,;7.03,-5.47,;5.71,-4.71,;4.36,-5.47,;4.36,-7.01,;3.03,-7.78,;5.68,-7.8,;7.03,-7.01,;8.5,-7.49,;8.99,-8.96,;7.94,-10.1,;6.44,-9.79,;8.42,-11.57,;9.93,-11.89,;10.41,-13.36,;10.96,-10.73,;10.49,-9.27,;11.51,-8.13,;5.68,-3.16,;7.03,-2.38,;7.03,-.82,;5.68,-.05,;4.36,-.84,;4.36,-2.38,;3.03,-3.15,;1.82,-3.85,;1.54,-2.58,;2.78,-4.73,)|
COc1cc(Br)c(c(OC)c1)-n1nnc2c(nc(C)nc12)-c1ccccc1C(F)(F)F |(10.57,-12.06,;11.62,-10.92,;11.18,-9.45,;9.66,-9.12,;9.22,-7.63,;7.73,-7.28,;10.27,-6.51,;11.76,-6.86,;12.81,-5.72,;14.32,-6.07,;12.23,-8.32,;9.8,-5.06,;10.7,-3.81,;9.79,-2.57,;8.33,-3.04,;7,-2.27,;5.67,-3.04,;5.67,-4.58,;4.32,-5.37,;7,-5.35,;8.33,-4.58,;7,-.73,;8.33,.04,;8.33,1.59,;7,2.36,;5.67,1.59,;5.67,.04,;4.32,-.75,;5.11,-2.08,;2.98,-1.52,;3.54,.6,)|
COc1cc(Br)c(c(OC)c1)-n1c2nc(C)nc(-c3ccccc3C(F)(F)F)c2n(C)c1=O |(10.58,-12.06,;11.63,-10.93,;11.18,-9.46,;9.67,-9.12,;9.22,-7.64,;7.73,-7.29,;10.27,-6.52,;11.77,-6.86,;12.82,-5.72,;14.33,-6.07,;12.23,-8.33,;9.81,-5.06,;8.34,-4.58,;7.01,-5.35,;5.67,-4.58,;4.32,-5.37,;5.67,-3.04,;7.01,-2.27,;7.01,-.73,;8.34,.04,;8.34,1.59,;7.01,2.36,;5.68,1.59,;5.68,.04,;4.32,-.75,;2.99,-1.52,;3.55,.6,;5.12,-2.08,;8.34,-3.04,;9.8,-2.57,;10.27,-1.1,;10.71,-3.81,;12.25,-3.81,)|
CCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)sc12 |(15.45,-10.38,;15.46,-11.93,;14.11,-12.7,;12.79,-11.93,;12.79,-10.39,;14.11,-14.24,;12.8,-15.01,;12.8,-16.55,;11.45,-17.32,;14.11,-17.32,;15.46,-16.55,;16.93,-17.02,;17.41,-18.47,;18.92,-18.78,;19.93,-17.63,;19.4,-20.23,;18.37,-21.39,;18.88,-22.85,;16.87,-21.07,;16.39,-19.62,;14.88,-19.3,;17.83,-15.77,;19.37,-15.77,;16.92,-14.53,;15.46,-15.01,)|
CCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12 |(16.46,-9.59,;15.12,-10.36,;15.13,-11.91,;13.8,-12.68,;12.46,-11.92,;12.46,-10.39,;13.22,-9.05,;11.69,-9.05,;13.8,-14.21,;12.48,-14.99,;12.48,-16.52,;11.14,-17.3,;13.8,-17.3,;15.15,-16.52,;16.62,-16.98,;17.1,-18.44,;16.08,-19.58,;16.55,-21.04,;18.06,-21.34,;19.08,-20.19,;18.59,-18.75,;19.67,-17.65,;18.54,-22.81,;17.52,-23.95,;20.06,-23.12,;17.52,-15.74,;19.05,-15.73,;16.6,-14.5,;15.13,-14.97,)|
COCCN(CCOC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)sc12 |(18.56,-10.19,;17.24,-9.42,;15.9,-10.19,;15.9,-11.74,;14.58,-12.51,;13.24,-11.74,;13.24,-10.22,;11.9,-9.45,;10.57,-10.22,;14.59,-14.04,;13.26,-14.83,;13.26,-16.37,;11.93,-17.14,;14.59,-17.14,;15.93,-16.35,;17.4,-16.83,;17.88,-18.27,;16.85,-19.43,;17.33,-20.89,;18.85,-21.19,;19.88,-20.04,;19.38,-18.59,;20.47,-17.49,;19.33,-22.66,;18.31,-23.81,;20.84,-22.97,;18.31,-15.57,;19.84,-15.57,;17.38,-14.33,;15.92,-14.81,)|
CC(C)c1ccc(c(Br)c1)-n1c2nc(C)nc(N3CCOCC3)c2sc1=S |(17.64,-23.83,;18.67,-22.68,;20.18,-22.98,;18.19,-21.21,;16.66,-20.89,;16.18,-19.45,;17.2,-18.29,;18.71,-18.6,;19.8,-17.51,;19.21,-20.06,;16.72,-16.84,;15.27,-16.37,;13.92,-17.14,;12.58,-16.37,;11.26,-17.14,;12.58,-14.83,;13.92,-14.06,;13.9,-12.52,;12.58,-11.75,;12.57,-10.21,;13.9,-9.44,;15.25,-10.2,;15.25,-11.75,;15.25,-14.83,;16.72,-14.35,;17.64,-15.59,;19.18,-15.59,)|
CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12 |(11.23,-8.67,;11.25,-10.21,;12.58,-10.98,;12.58,-12.52,;13.93,-13.28,;15.26,-12.5,;15.24,-10.94,;13.93,-14.82,;12.6,-15.59,;12.6,-17.13,;11.26,-17.9,;13.93,-17.9,;15.27,-17.13,;16.75,-17.58,;17.23,-19.06,;16.2,-20.2,;16.68,-21.65,;18.19,-21.97,;19.22,-20.81,;18.72,-19.34,;19.81,-18.25,;18.67,-23.42,;17.65,-24.57,;20.18,-23.74,;17.65,-16.33,;19.17,-16.33,;16.72,-15.1,;15.27,-15.59,)|
CCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)sc12 |(12.56,-9.82,;12.57,-11.35,;13.88,-12.12,;15.23,-11.35,;15.23,-9.8,;13.91,-13.66,;12.57,-14.45,;12.57,-15.97,;11.25,-16.74,;13.91,-16.74,;15.25,-15.97,;16.7,-16.44,;17.18,-17.89,;16.16,-19.04,;16.64,-20.51,;18.17,-20.8,;19.19,-19.65,;18.69,-18.2,;19.78,-17.11,;18.65,-22.27,;17.62,-23.42,;20.15,-22.59,;17.62,-15.19,;19.16,-15.19,;16.7,-13.95,;15.23,-14.43,)|
CCCN(CC1CC1)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)sc12 |(16.68,-10.17,;15.34,-10.93,;15.36,-12.48,;14.02,-13.25,;12.68,-12.49,;12.68,-10.96,;13.43,-9.63,;11.91,-9.63,;14.02,-14.78,;12.7,-15.57,;12.7,-17.11,;11.37,-17.87,;14.02,-17.87,;15.36,-17.1,;16.82,-17.55,;17.32,-19.02,;18.81,-19.32,;19.81,-18.16,;19.3,-20.77,;18.27,-21.91,;18.76,-23.38,;16.76,-21.62,;16.28,-20.16,;14.78,-19.84,;17.73,-16.31,;19.27,-16.3,;16.82,-15.07,;15.36,-15.55,)|
COCCN(CCOC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12 |(18.56,-10.19,;17.24,-9.42,;15.9,-10.19,;15.9,-11.74,;14.58,-12.51,;13.24,-11.74,;13.24,-10.22,;11.9,-9.45,;10.57,-10.22,;14.59,-14.04,;13.26,-14.83,;13.26,-16.37,;11.93,-17.14,;14.59,-17.14,;15.93,-16.35,;17.4,-16.83,;17.88,-18.27,;16.85,-19.43,;17.33,-20.89,;18.85,-21.19,;19.88,-20.04,;19.38,-18.59,;20.47,-17.49,;19.33,-22.66,;18.31,-23.81,;20.84,-22.97,;18.31,-15.57,;19.84,-15.57,;17.38,-14.33,;15.92,-14.81,)|
CCCN(CC1CC1)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=S)sc12 |(16.68,-10.17,;15.34,-10.93,;15.36,-12.48,;14.02,-13.25,;12.68,-12.49,;12.68,-10.96,;13.43,-9.63,;11.91,-9.63,;14.02,-14.78,;12.7,-15.57,;12.7,-17.11,;11.37,-17.87,;14.02,-17.87,;15.36,-17.1,;16.82,-17.55,;17.32,-19.02,;18.81,-19.32,;19.81,-18.16,;19.3,-20.77,;18.27,-21.91,;18.76,-23.38,;16.76,-21.62,;16.28,-20.16,;14.78,-19.84,;17.73,-16.31,;19.27,-16.3,;16.82,-15.07,;15.36,-15.55,)|
CCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=S)sc12 |(15.45,-10.38,;15.46,-11.93,;14.11,-12.7,;12.79,-11.93,;12.79,-10.39,;14.11,-14.24,;12.8,-15.01,;12.8,-16.55,;11.45,-17.32,;14.11,-17.32,;15.46,-16.55,;16.93,-17.02,;17.41,-18.47,;18.92,-18.78,;19.93,-17.63,;19.4,-20.23,;18.37,-21.39,;18.88,-22.85,;16.87,-21.07,;16.39,-19.62,;14.88,-19.3,;17.83,-15.77,;19.37,-15.77,;16.92,-14.53,;15.46,-15.01,)|
COCCN(CCOC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)sc12 |(18.84,-10.28,;17.3,-10.28,;15.96,-11.05,;15.96,-12.59,;14.63,-13.38,;13.29,-12.61,;13.29,-11.07,;12.51,-9.75,;10.97,-9.73,;14.64,-14.92,;13.31,-15.69,;13.31,-17.23,;11.97,-18,;14.64,-18,;15.99,-17.23,;17.45,-17.69,;17.93,-19.15,;19.44,-19.45,;20.45,-18.3,;19.92,-20.9,;18.9,-22.07,;19.39,-23.53,;17.39,-21.76,;16.91,-20.29,;15.4,-19.97,;18.36,-16.44,;19.9,-16.44,;17.43,-15.19,;15.98,-15.69,)|
CCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)sc12 |(16.46,-9.59,;15.12,-10.36,;15.13,-11.91,;13.8,-12.68,;12.46,-11.92,;12.46,-10.39,;13.22,-9.05,;11.69,-9.05,;13.8,-14.21,;12.48,-14.97,;12.48,-16.52,;11.14,-17.3,;13.8,-17.3,;15.15,-16.52,;16.62,-16.98,;17.1,-18.44,;16.08,-19.58,;16.55,-21.04,;18.06,-21.34,;19.08,-20.19,;18.59,-18.75,;19.67,-17.65,;18.54,-22.81,;17.52,-23.95,;20.06,-23.12,;17.52,-15.74,;19.05,-15.74,;16.6,-14.5,;15.13,-14.97,)|
CCC(C)N(C(C)CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12 |(11.24,-9.46,;12.59,-10.23,;12.59,-11.75,;11.26,-12.52,;13.92,-12.52,;15.25,-11.75,;16.6,-12.52,;15.25,-10.21,;16.59,-9.43,;13.93,-14.06,;12.59,-14.83,;12.59,-16.39,;11.26,-17.16,;13.93,-17.16,;15.28,-16.37,;16.75,-16.85,;17.23,-18.3,;16.2,-19.45,;16.68,-20.92,;18.19,-21.22,;19.22,-20.06,;18.71,-18.62,;19.83,-17.52,;18.68,-22.69,;17.66,-23.84,;20.18,-23,;17.65,-15.6,;19.19,-15.6,;16.73,-14.35,;15.27,-14.83,)|
CCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12 |(12.56,-9.82,;12.57,-11.35,;13.88,-12.12,;15.23,-11.35,;15.23,-9.8,;13.91,-13.66,;12.57,-14.45,;12.57,-15.97,;11.25,-16.74,;13.91,-16.74,;15.25,-15.97,;16.7,-16.44,;17.18,-17.89,;16.16,-19.04,;16.64,-20.51,;18.17,-20.8,;19.19,-19.65,;18.69,-18.2,;19.78,-17.11,;18.65,-22.27,;17.62,-23.42,;20.15,-22.59,;17.62,-15.19,;19.16,-15.19,;16.7,-13.95,;15.23,-14.43,)|
COCCN(CCOC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=S)sc12 |(18.84,-10.28,;17.3,-10.28,;15.96,-11.05,;15.96,-12.59,;14.63,-13.38,;13.29,-12.61,;13.29,-11.07,;12.51,-9.75,;10.97,-9.73,;14.64,-14.92,;13.31,-15.69,;13.31,-17.23,;11.97,-18,;14.64,-18,;15.99,-17.23,;17.45,-17.69,;17.93,-19.15,;19.44,-19.45,;20.45,-18.3,;19.92,-20.9,;18.9,-22.07,;19.39,-23.53,;17.39,-21.76,;16.91,-20.29,;15.4,-19.97,;18.36,-16.44,;19.9,-16.44,;17.43,-15.19,;15.98,-15.69,)|
CCCN(CC1CC1)c1nc(C)nc(Nc2c(OC)cc(OC)cc2OC)n1
CCCN(CCCCF)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(7.65,-.09,;7.16,-1.55,;8.19,-2.71,;7.72,-4.17,;6.2,-4.5,;5.18,-3.35,;3.67,-3.67,;2.64,-2.53,;1.13,-2.84,;8.75,-5.32,;8.28,-6.79,;9.31,-7.93,;8.85,-9.41,;10.81,-7.61,;11.29,-6.15,;12.7,-5.53,;12.54,-3.98,;13.69,-2.95,;11.02,-3.67,;10.4,-2.25,;10.26,-5,;14.04,-6.29,;14.04,-7.84,;12.7,-8.61,;15.37,-8.61,;16.7,-7.84,;18.05,-8.61,;16.7,-6.29,;15.37,-5.52,;15.36,-3.97,)|
Cc1c(C)c2c(nc(C)nc2n1-c1c(C)cc(C)cc1C)N(CCCF)CC1CC1 |(12.37,-3.71,;11.23,-4.74,;9.73,-4.41,;9.1,-3.01,;8.96,-5.74,;7.47,-6.07,;6.98,-7.53,;8.02,-8.67,;7.55,-10.14,;9.52,-8.35,;9.98,-6.88,;11.4,-6.27,;12.72,-7.04,;14.05,-6.25,;14.04,-4.72,;15.39,-7.02,;15.39,-8.58,;16.72,-9.35,;14.05,-9.35,;12.72,-8.58,;11.38,-9.35,;6.43,-4.93,;4.93,-5.24,;3.9,-4.1,;2.38,-4.41,;1.36,-3.27,;6.91,-3.46,;5.88,-2.32,;5.55,-.8,;4.41,-1.84,)|
Cc1c(C)c2c(nc(C)nc2n1-c1c(C)cc(C)cc1C)N1CCN(CCF)CC1 |(12.37,-3.71,;11.23,-4.74,;9.73,-4.41,;9.1,-3.01,;8.96,-5.74,;7.47,-6.07,;6.98,-7.53,;8.02,-8.67,;7.55,-10.14,;9.52,-8.35,;9.98,-6.88,;11.4,-6.27,;12.72,-7.04,;14.05,-6.25,;14.04,-4.72,;15.39,-7.02,;15.39,-8.58,;16.72,-9.35,;14.05,-9.35,;12.72,-8.58,;11.38,-9.35,;6.43,-4.93,;4.93,-5.25,;3.9,-4.1,;4.39,-2.63,;3.36,-1.49,;3.85,-.03,;2.82,1.12,;5.9,-2.32,;6.91,-3.46,)|
CCCN(CC1CC1)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(2.88,-3.62,;4.39,-3.31,;5.41,-4.46,;6.91,-4.14,;7.4,-2.67,;6.37,-1.52,;6.03,-.01,;4.9,-1.05,;7.96,-5.28,;7.47,-6.74,;8.52,-7.89,;8.03,-9.36,;10.01,-7.57,;10.48,-6.1,;11.88,-5.48,;11.72,-3.95,;12.86,-2.92,;10.22,-3.62,;9.6,-2.22,;9.46,-4.95,;13.21,-6.25,;13.21,-7.79,;11.88,-8.56,;14.54,-8.56,;15.89,-7.79,;17.23,-8.56,;15.89,-6.24,;14.54,-5.47,;14.54,-3.93,)|
CCN(CCCCF)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(6.4,-1.55,;7.43,-2.71,;6.95,-4.16,;5.44,-4.49,;4.42,-3.34,;2.9,-3.66,;1.87,-2.52,;.37,-2.83,;7.98,-5.3,;7.5,-6.77,;8.54,-7.91,;8.07,-9.38,;10.04,-7.59,;10.5,-6.13,;11.92,-5.51,;11.76,-3.97,;12.9,-2.95,;10.25,-3.66,;9.62,-2.25,;9.48,-4.99,;13.25,-6.27,;13.25,-7.82,;11.9,-8.59,;14.58,-8.59,;15.92,-7.82,;17.24,-8.59,;15.92,-6.27,;14.58,-5.5,;14.56,-3.97,)|
CCCCN(CCCCF)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(6.62,.32,;7.65,-.83,;7.16,-2.29,;8.19,-3.44,;7.72,-4.91,;6.2,-5.22,;5.18,-4.08,;3.67,-4.4,;2.64,-3.26,;1.13,-3.58,;8.75,-6.06,;8.28,-7.51,;9.31,-8.66,;8.85,-10.13,;10.81,-8.35,;11.29,-6.88,;12.7,-6.25,;12.54,-4.72,;13.69,-3.68,;11.02,-4.4,;10.4,-2.99,;10.26,-5.74,;14.04,-7.02,;14.04,-8.57,;12.7,-9.34,;15.37,-9.34,;16.7,-8.57,;18.05,-9.34,;16.7,-7.02,;15.37,-6.25,;15.36,-4.71,)|
CCCC[Sn](CCCC)(CCCC)c1cc(Cl)c(Nc2nc(C)nc(N(CCC)CC3CC3)c2Cl)c(Cl)c1
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(I)cc2Cl)c1Cl
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Br)cc2Cl)c1Cl
CCCN(C(C1CC1)C1CC1)c1nnc([nH]1)-c1c(C)cc(C)cc1C
CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
CCCN(C(C1CC1)C1CC1)c1nc(-c2c(C)cc(C)cc2C)n(CC=C)n1 |(17.52,-15.7,;16.89,-14.29,;15.37,-14.14,;14.74,-12.74,;15.63,-11.48,;15,-10.07,;15.14,-8.55,;13.74,-9.18,;17.17,-11.64,;18.41,-12.53,;18.58,-11,;13.2,-12.57,;12.18,-13.72,;10.77,-13.11,;9.44,-13.88,;9.44,-15.44,;10.77,-16.21,;8.09,-16.21,;6.76,-15.44,;5.43,-16.21,;6.76,-13.88,;8.09,-13.11,;8.09,-11.57,;10.91,-11.57,;9.77,-10.54,;10.07,-9.04,;8.98,-7.94,;12.42,-11.24,)|
CCCN(C(C1CC1)C1CC1)c1nc(-c2c(C)cc(C)cc2C)n(C)n1 |(17.53,-15.4,;16.89,-13.99,;15.37,-13.83,;14.74,-12.43,;15.63,-11.17,;15,-9.77,;15.14,-8.24,;13.74,-8.88,;17.18,-11.34,;18.41,-12.22,;18.58,-10.7,;13.2,-12.27,;12.18,-13.41,;10.77,-12.81,;9.44,-13.58,;9.44,-15.14,;10.78,-15.91,;8.09,-15.91,;6.76,-15.14,;5.43,-15.91,;6.76,-13.58,;8.09,-12.81,;8.09,-11.27,;10.92,-11.27,;9.77,-10.24,;12.43,-10.94,)|
CCCN(C(C1CC1)C1CC1)c1nc(-c2c(C)cc(C)cc2C)n(CC)n1 |(17.54,-15.42,;16.91,-14.01,;15.39,-13.85,;14.75,-12.45,;15.65,-11.18,;15.02,-9.78,;15.16,-8.25,;13.76,-8.88,;17.19,-11.35,;18.43,-12.24,;18.6,-10.71,;13.22,-12.28,;12.19,-13.43,;10.78,-12.82,;9.45,-13.59,;9.45,-15.15,;10.79,-15.92,;8.1,-15.92,;6.77,-15.15,;5.43,-15.92,;6.77,-13.59,;8.1,-12.82,;8.1,-11.28,;10.93,-11.28,;9.78,-10.25,;10.09,-8.74,;12.44,-10.95,)|
CCCN(c1nc(-c2ccc(Cl)cc2Cl)n(C)n1)c1ccccc1OC
CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2C)n(C)n1
CCCN(C(C1CC1)C1CC1)c1nnc([nH]1)-c1ccc(Cl)cc1Cl
CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(C)cc2C)n(C)n1
CCCN(CC1CC1)c1nc(-c2ccc(Cl)cc2Cl)n(C)n1
CCCN(CCC)c1nc(-c2ccc(Cl)cc2Cl)n(C)n1
CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2)n(C)n1
CCCN(CCC)c1nc(-c2ccc(Cl)cc2Cl)n(CCO)n1
CCCN(C(C1CC1)C1CC1)c1nc(nn1C)-c1ccc(Cl)cc1Cl
CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2Cl)n(C)n1
CCCN(C(C1CC1)C1CC1)c1nc(-c2cc(F)c(Cl)cc2Cl)n(C)n1
CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Br)cc2C)n(C)n1
CCCN(C(C1CC1)C1CC1)c1nc(-c2c(C)cc(C)cc2C)n(CC(F)(F)F)n1 |(17.5,-15.68,;16.87,-14.26,;15.35,-14.11,;14.72,-12.71,;15.61,-11.46,;14.98,-10.05,;13.72,-9.15,;15.12,-8.52,;17.15,-11.62,;18.39,-12.51,;18.55,-10.97,;13.19,-12.56,;12.16,-13.7,;10.75,-13.09,;9.42,-13.86,;9.42,-15.4,;10.76,-16.17,;8.08,-16.17,;6.75,-15.4,;5.42,-16.17,;6.75,-13.86,;8.08,-13.09,;8.08,-11.55,;10.9,-11.55,;9.76,-10.53,;10.06,-9.01,;8.92,-7.99,;11.53,-8.54,;8.78,-9.85,;12.41,-11.22,)|
CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2Cl)n(CC)n1
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCC(=O)NNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
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CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(O)=O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@H]([C@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@](C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CCOc1cccc(NC(=NNc2ccccc2C(F)(F)F)C(C)=O)c1 |w:10.10|
CC(=O)C(Nc1ccc(Cl)cc1)=NNc1ccccc1C |w:12.13|
CC(=O)C(Oc1cccc(Cl)c1)=NNc1ccccc1C |w:12.13|
CC(=O)C(Nc1cccc(Cl)c1)=NNc1ccc(Br)cc1 |w:12.13|
CN(C(=NNc1ccccc1C(F)(F)F)C(C)=O)c1cccc(Cl)c1 |w:3.3|
CC(=O)C(Nc1cccc(C)c1)=NNc1ccccc1C |w:12.13|
CC(=O)C(Nc1ccccc1)=NNc1ccccc1C |w:11.12|
CC(=O)C(Nc1cccc(c1)C(F)(F)F)=NNc1ccccc1C |w:15.16|
CN(C(=NNc1ccccc1[N+]([O-])=O)C(C)=O)c1cccc(Cl)c1 |w:3.3|
CC(=O)C(Sc1cccc(Cl)c1)=NNc1ccccc1Cl |w:12.13|
CN(C(=NNc1ccccc1Cl)C(C)=O)c1cccc(Cl)c1 |w:3.3|
CN(C(=NNc1ccccc1C#N)C(C)=O)c1cccc(Cl)c1 |w:3.3|
CSc1cccc(NC(=NNc2ccccc2C)C(C)=O)c1 |w:9.9|
CC(=O)C(Nc1cccc(Cl)c1)=NNc1ccccc1 |w:12.13|
CC(=O)C(Nc1cccc(c1)C(F)(F)F)=NNc1ccccc1C(F)(F)F |w:15.16|
CC(=O)C(Nc1ccccc1Cl)=NNc1ccccc1C#N |w:12.13|
CC(=O)C(Nc1ccc(Cl)cc1)=NNc1ccccc1 |w:12.13|
CC(=O)C(Nc1ccccc1)=NNc1ccccc1C#N |w:11.12|
CC(=O)C(Oc1ccc(Cl)cc1)=NNc1ccccc1C#N |w:12.13|
CC(=O)C(Oc1cccc(Cl)c1)=NNc1ccccc1 |w:12.13|
CC(=O)C(Nc1ccc(Cl)cc1)=NNc1ccccc1C(F)(F)F |w:12.13|
CC(=O)C(Nc1ccc(Cl)cc1)=NNc1ccccc1Cl |w:12.13|
CC(=O)C(Nc1cccc(Cl)c1)=NNc1ccc(C)cc1 |w:12.13|
CC(=O)C(Nc1cccc(c1)C#N)=NNc1ccccc1C |w:13.14|
CC(=O)C(Nc1cccc(Cl)c1)=NNc1ccccc1C#N |w:12.13|
CC(=O)C(NNc1ccccc1)=Nc1ccccc1Cl |w:12.13|
CC(=O)C(Nc1ccccc1)=NNc1ccccc1C(F)(F)F |w:11.12|
CSc1cccc(NC(=NNc2ccccc2C(F)(F)F)C(C)=O)c1 |w:9.9|
CC(=O)C(Nc1ccccc1Cl)=NNc1ccccc1C |w:12.13|
CC(=O)C(Nc1cccc(C)c1)=NNc1ccccc1C(F)(F)F |w:12.13|
CC(=O)C(Nc1cccc(c1)C#C)=NNc1ccccc1C |w:13.14|
CC(=O)C(Oc1cccc(Cl)c1)=NNc1ccccc1C(F)(F)F |w:12.13|
CN(C(=NNc1ccccc1)C(C)=O)c1cccc(Cl)c1 |w:3.3|
CC(=O)C(Nc1ccccc1)=NNc1ccccc1 |w:11.12|
CC(=O)C(Sc1cccc(Cl)c1)=NNc1ccccc1C |w:12.13|
CC(=O)C(Nc1cccc(Cl)c1)=NNc1ccccc1Cl |w:12.13|
CSc1cccc(NC(=NNc2ccccc2Cl)C(C)=O)c1 |w:9.9|
CC(=O)C([N-]c1cccc(Cl)c1)=[NH+]Nc1ccccc1[N+]([O-])=O |w:12.13|
CC(=O)C(Nc1cccc(c1)C#C)=NNc1ccccc1C(F)(F)F |w:13.14|
CC(=O)C(Nc1cccc(Cl)c1)=NNc1ccccc1S(C)(=O)=O |w:12.13|
CC(=O)C(Nc1cccc(F)c1)=NNc1ccccc1Cl |w:12.13|
COc1cccc(OC(=NNc2ccccc2C#N)C(C)=O)c1 |w:9.9|
CC(=O)C(Nc1cccc(Cl)c1)=NNc1ccccc1S(N)(=O)=O |w:12.13|
CC(=O)C(Nc1ccccc1Cl)=NNc1ccccc1Cl |w:12.13|
COc1cccc(NC(=NNc2ccccc2C(F)(F)F)C(C)=O)c1 |w:9.9|
CC(=O)C(Nc1ccccc1)=NNc1ccccc1Cl |w:11.12|
CC(=O)C(Nc1cccc(C)c1)=NNc1ccccc1 |w:12.13|
CC(=O)C(Nc1cccc(C)c1)=NNc1ccccc1Cl |w:12.13|
CCOc1cccc(NC(=NNc2ccccc2Cl)C(C)=O)c1 |w:10.10|
COc1cccc(NC(=NNc2ccccc2)C(C)=O)c1 |w:9.9|
CC(=O)C(Nc1ccccc1Cl)=NNc1ccccc1C(F)(F)F |w:12.13|
CN(C(=NNc1ccccc1C)C(C)=O)c1cccc(Cl)c1 |w:3.3|
CC(=O)C(Nc1cccc(Cl)c1)=NNc1ccccc1C |w:12.13|
COc1cccc(NC(=NNc2ccccc2C)C(C)=O)c1 |w:9.9|
CC(=O)C(Nc1cccc(F)c1)=NNc1ccccc1C |w:12.13|
CCOc1cccc(NC(=NNc2ccccc2C)C(C)=O)c1 |w:10.10|
CC(=O)C(Nc1cccc(Cl)c1)=NNc1ccccc1C(F)(F)F |w:12.13|
CC(=O)C(Oc1cccc(Cl)c1)=NNc1ccccc1[N+]([O-])=O |w:12.13|
CC(=O)C(Oc1cccc(C)c1)=NNc1ccccc1C#N |w:12.13|
COc1cccc(NC(=NNc2ccccc2Cl)C(C)=O)c1 |w:9.9|
CC(=O)C(Nc1cccc(c1)C#N)=NNc1ccccc1C(F)(F)F |w:13.14|
CC(=O)C(Nc1cccc(F)c1)=NNc1ccccc1C(F)(F)F |w:12.13|
CC(=O)C(Nc1cccc(c1)C#C)=NNc1ccccc1Cl |w:13.14|
CCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(2.41,-.08,;1.07,-.85,;-.26,-.08,;-1.6,-.85,;-2.93,-.09,;-4.25,-.86,;-1.58,-2.38,;-2.91,-3.17,;-2.91,-4.7,;-4.25,-5.47,;-1.58,-5.47,;-.25,-4.7,;1.22,-5.18,;1.7,-6.64,;.66,-7.78,;1.14,-9.24,;2.64,-9.55,;3.12,-11.02,;3.66,-8.39,;3.2,-6.94,;4.2,-5.8,;2.13,-3.92,;3.66,-3.92,;1.22,-2.68,;-.25,-3.15,)|
CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(CC)nc12 |(.47,3.41,;-.88,2.68,;-.91,1.14,;-2.26,.39,;-3.59,1.18,;-3.56,2.72,;-4.87,3.52,;-2.29,-1.15,;-3.64,-1.9,;-3.68,-3.44,;-5.03,-4.18,;-2.36,-4.23,;-1,-3.48,;.45,-4,;.91,-5.47,;-.14,-6.59,;-1.65,-6.24,;.3,-8.06,;1.8,-8.41,;2.26,-9.88,;2.85,-7.26,;2.4,-5.79,;3.44,-4.67,;1.38,-2.76,;2.92,-2.78,;3.72,-1.47,;.5,-1.49,;-.97,-1.94,)|
CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(.02,4.59,;-1.31,3.8,;-1.3,2.26,;-2.64,1.49,;-3.97,2.26,;-3.98,3.8,;-5.31,4.57,;-2.63,-.05,;-3.96,-.82,;-3.96,-2.36,;-5.3,-3.13,;-2.63,-3.13,;-1.3,-2.36,;.17,-2.85,;.66,-4.32,;-.37,-5.44,;.1,-6.91,;1.61,-7.24,;2.08,-8.7,;2.64,-6.07,;2.15,-4.63,;3.18,-3.48,;1.1,-1.59,;2.64,-1.59,;.17,-.33,;-1.3,-.82,)|
CCC(CC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-2.82,.14,;-4.15,-.64,;-4.14,-2.17,;-5.48,-2.94,;-5.47,-4.48,;-2.81,-2.94,;-2.81,-4.47,;-4.14,-5.24,;-4.14,-6.79,;-5.47,-7.56,;-2.81,-7.56,;-1.47,-6.79,;,-7.27,;.47,-8.72,;-.55,-9.86,;-.09,-11.33,;1.43,-11.65,;1.9,-13.1,;2.45,-10.49,;1.98,-9.04,;2.99,-7.88,;.92,-6.01,;2.45,-6.01,;,-4.76,;-1.47,-5.24,)|
CCCCCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-5.54,4.79,;-4.21,4.03,;-4.21,2.49,;-2.87,1.72,;-2.86,.19,;-1.53,-.57,;-1.53,-2.1,;-2.86,-2.89,;-2.86,-4.43,;-4.19,-5.2,;-1.53,-5.2,;-.19,-4.43,;1.28,-4.9,;1.76,-6.37,;.73,-7.5,;1.2,-8.97,;2.71,-9.28,;3.18,-10.75,;3.74,-8.13,;3.26,-6.67,;4.27,-5.53,;2.2,-3.64,;3.74,-3.64,;1.28,-2.4,;-.19,-2.87,)|
CCCN(CCC)c1nc(C)nc2c(n[nH]c12)-c1c(C)cc(C)cc1C |(-1.63,3.13,;-2.98,2.39,;-3.01,.86,;-4.36,.11,;-5.68,.9,;-5.65,2.44,;-6.97,3.23,;-4.39,-1.43,;-5.74,-2.18,;-5.78,-3.72,;-7.13,-4.46,;-4.46,-4.51,;-3.1,-3.76,;-1.65,-4.28,;-.72,-3.04,;-1.6,-1.77,;-3.07,-2.22,;-1.19,-5.75,;-2.24,-6.87,;-3.75,-6.52,;-1.8,-8.34,;-.3,-8.69,;.16,-10.16,;.75,-7.54,;.3,-6.07,;1.34,-4.95,)|
CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(CCC)nc12 |(.23,3.24,;-1.11,2.5,;-1.14,.96,;-2.5,.21,;-3.82,1.02,;-3.78,2.56,;-5.1,3.35,;-2.52,-1.33,;-3.87,-2.06,;-3.91,-3.6,;-5.26,-4.35,;-2.59,-4.41,;-1.24,-3.66,;.22,-4.16,;.68,-5.63,;-.37,-6.75,;-1.88,-6.4,;.07,-8.22,;1.57,-8.57,;2.03,-10.04,;2.62,-7.44,;2.17,-5.97,;3.2,-4.84,;1.15,-2.92,;2.69,-2.96,;3.48,-1.64,;5.02,-1.66,;.26,-1.66,;-1.21,-2.12,)|
CCCN(CCN1CCCC1)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-3.49,3.32,;-2.17,2.56,;-.84,3.32,;.49,2.58,;1.82,3.35,;3.15,2.58,;4.5,3.35,;4.67,4.89,;6.18,5.21,;6.95,3.86,;5.9,2.72,;.49,1.04,;-.84,.27,;-.84,-1.29,;-2.17,-2.06,;.49,-2.06,;1.84,-1.29,;3.31,-1.76,;3.77,-3.22,;2.75,-4.36,;3.22,-5.83,;4.73,-6.14,;5.2,-7.6,;5.75,-4.99,;5.29,-3.53,;6.29,-2.38,;4.2,-.5,;5.75,-.5,;3.31,.74,;1.84,.27,)|
CCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-3.84,4.05,;-3.84,2.52,;-2.51,1.76,;-2.51,.23,;-3.84,-.56,;-3.84,-2.1,;-5.16,-2.87,;-2.51,-2.87,;-1.16,-2.1,;.3,-2.57,;.78,-4.04,;-.25,-5.17,;.22,-6.64,;1.73,-6.95,;2.2,-8.42,;2.76,-5.8,;2.28,-4.34,;3.29,-3.2,;1.22,-1.31,;2.76,-1.31,;.3,-.05,;-1.16,-.54,)|
CCCN(CCC)c1nc(C)nc2c(nn(CC)c12)-c1c(C)cc(C)cc1C |(-1.18,4.5,;-2.52,3.77,;-2.56,2.23,;-3.91,1.49,;-5.22,2.28,;-5.19,3.82,;-6.51,4.61,;-3.93,-.05,;-5.29,-.8,;-5.32,-2.34,;-6.66,-3.09,;-4,-3.13,;-2.65,-2.39,;-1.18,-2.9,;-.25,-1.66,;-1.14,-.4,;-.65,1.07,;.87,1.35,;-2.61,-.85,;-.74,-4.37,;.75,-4.7,;1.8,-3.57,;1.22,-6.17,;.16,-7.31,;.61,-8.78,;-1.35,-6.96,;-1.79,-5.49,;-3.28,-5.14,)|
CNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-3.32,2.46,;-1.98,1.7,;-1.97,.16,;-3.3,-.61,;-3.3,-2.15,;-4.64,-2.92,;-1.97,-2.92,;-.64,-2.15,;.82,-2.63,;1.31,-4.09,;.28,-5.23,;.75,-6.7,;2.26,-7.01,;2.73,-8.47,;3.29,-5.86,;2.8,-4.4,;3.83,-3.25,;1.75,-1.37,;3.29,-1.37,;.82,-.12,;-.64,-.61,)|
CCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)cc3OC)n(C)nc12 |(2.6,4.49,;1.27,3.72,;1.27,2.18,;-.06,1.41,;-1.39,2.17,;-1.4,3.71,;-2.74,4.48,;-.06,-.12,;-1.39,-.91,;-1.39,-2.45,;-2.72,-3.22,;-.06,-3.22,;1.28,-2.45,;2.75,-2.92,;3.23,-4.39,;2.2,-5.53,;2.67,-7,;4.18,-7.31,;4.65,-8.77,;6.16,-9.08,;5.21,-6.16,;4.73,-4.7,;5.75,-3.55,;5.27,-2.1,;3.67,-1.66,;5.21,-1.66,;2.75,-.4,;1.28,-.89,)|
CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)nc12 |(-4.13,3.59,;-2.82,2.79,;-2.84,1.25,;-1.53,.44,;-.18,1.19,;-.14,2.73,;1.2,3.47,;-1.56,-1.1,;-2.91,-1.83,;-2.94,-3.37,;-4.28,-4.11,;-1.63,-4.18,;-.27,-3.43,;1.2,-3.93,;1.64,-5.4,;3.13,-5.74,;4.18,-4.6,;3.6,-7.21,;2.54,-8.34,;2.99,-9.81,;1.03,-7.99,;.59,-6.52,;-.9,-6.17,;2.13,-2.69,;3.67,-2.73,;1.24,-1.43,;-.23,-1.89,)|
CCCCCCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-5.45,5.9,;-5.44,4.36,;-4.1,3.59,;-4.1,2.05,;-2.77,1.28,;-2.75,-.26,;-1.42,-1.01,;-1.42,-2.55,;-2.75,-3.34,;-2.75,-4.88,;-4.08,-5.65,;-1.42,-5.65,;-.09,-4.88,;1.38,-5.35,;1.87,-6.82,;.84,-7.94,;1.31,-9.43,;2.82,-9.74,;3.3,-11.21,;3.85,-8.59,;3.37,-7.12,;4.39,-5.98,;2.31,-4.09,;3.85,-4.09,;1.38,-2.85,;-.09,-3.32,)|
CCCCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-3.92,4.22,;-3.92,2.68,;-2.58,1.91,;-2.58,.37,;-1.25,-.4,;-1.24,-1.94,;-2.57,-2.71,;-2.57,-4.25,;-3.91,-5.02,;-1.24,-5.02,;.1,-4.25,;1.57,-4.74,;2.05,-6.21,;1.01,-7.33,;1.49,-8.8,;2.99,-9.13,;3.48,-10.59,;4.02,-7.96,;3.55,-6.52,;4.56,-5.37,;2.48,-3.48,;4.02,-3.48,;1.57,-2.22,;.1,-2.71,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)|
CCCN(CCC)c1nc(C)nc2c(-c3c(Cl)cccc3Cl)n(C)nc12 |(.24,5.09,;-1.09,4.31,;-1.07,2.77,;-2.42,2,;-3.75,2.77,;-3.75,4.31,;-5.09,5.08,;-2.4,.46,;-3.73,-.31,;-3.73,-1.85,;-5.08,-2.62,;-2.4,-2.62,;-1.07,-1.85,;.4,-2.34,;.89,-3.8,;2.39,-4.11,;3.41,-2.96,;2.85,-5.56,;1.83,-6.73,;.33,-6.4,;-.16,-4.93,;-1.66,-4.62,;1.31,-1.08,;2.85,-1.08,;.4,.18,;-1.07,-.31,)|
CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3)n(C)nc12
CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3C)n(C)nc12 |(1.59,4.49,;.26,3.72,;.28,2.18,;-1.06,1.41,;-2.39,2.17,;-2.39,3.7,;-3.73,4.47,;-1.05,-.12,;-2.38,-.91,;-2.38,-2.45,;-3.72,-3.21,;-1.05,-3.21,;.29,-2.45,;1.76,-2.92,;2.24,-4.39,;1.2,-5.52,;1.68,-6.99,;3.18,-7.3,;3.66,-8.77,;4.2,-6.15,;3.74,-4.69,;4.75,-3.55,;2.66,-1.66,;4.2,-1.66,;1.76,-.4,;.29,-.89,)|
CCCN(CCN1CCCCC1)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(2.66,-1.91,;3.97,-2.68,;5.32,-1.91,;6.65,-2.67,;7.98,-1.89,;9.31,-2.66,;10.65,-1.89,;10.65,-.33,;12,.44,;13.34,-.36,;13.32,-1.9,;11.99,-2.67,;6.65,-4.2,;5.32,-4.97,;5.32,-6.53,;3.99,-7.3,;6.65,-7.3,;8,-6.53,;9.46,-7,;9.94,-8.46,;8.91,-9.6,;9.38,-11.07,;10.89,-11.38,;11.36,-12.84,;11.92,-10.23,;11.45,-8.77,;12.46,-7.62,;10.38,-5.74,;11.92,-5.74,;9.46,-4.5,;8,-4.97,)|
CCCN(CCC)c1nc(C)nc2c(nn(C)c12)-c1c(C)cc(C)cc1C |(-6.92,3.47,;-5.59,2.68,;-5.62,1.14,;-4.31,.34,;-2.96,1.09,;-2.93,2.63,;-1.58,3.36,;-4.33,-1.2,;-5.69,-1.94,;-5.73,-3.48,;-7.07,-4.23,;-4.4,-4.28,;-3.05,-3.53,;-1.59,-4.04,;-.65,-2.81,;-1.54,-1.54,;-1.04,-.08,;-3.03,-1.99,;-1.14,-5.51,;.36,-5.84,;1.4,-4.71,;.82,-7.31,;-.25,-8.45,;.22,-9.92,;-1.74,-8.1,;-2.19,-6.63,;-3.69,-6.28,)|
Cc1nc(NC2CCCCC2)c2nn(C)c(-c3ccc(Cl)cc3Cl)c2n1 |(-4.56,-7.02,;-3.23,-6.25,;-3.23,-4.71,;-1.9,-3.94,;-1.9,-2.4,;-3.24,-1.63,;-4.57,-2.41,;-5.91,-1.64,;-5.91,-.09,;-4.57,.67,;-3.24,-.09,;-.56,-4.71,;.91,-4.22,;1.82,-5.47,;3.36,-5.47,;.91,-6.73,;1.38,-8.19,;.36,-9.33,;.82,-10.79,;2.34,-11.11,;2.8,-12.56,;3.36,-9.96,;2.89,-8.5,;3.9,-7.35,;-.56,-6.25,;-1.9,-7.02,)|
CCCCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(5.23,-.47,;3.9,.28,;2.57,-.49,;1.24,.27,;-.09,-.5,;-1.42,.27,;-2.77,-.5,;-4.1,.26,;-5.42,-.51,;-2.75,-2.04,;-4.08,-2.82,;-4.08,-4.36,;-5.42,-5.13,;-2.75,-5.13,;-1.41,-4.36,;.05,-4.83,;.54,-6.3,;-.51,-7.44,;-.02,-8.91,;1.48,-9.22,;1.96,-10.69,;2.5,-8.05,;2.04,-6.61,;3.05,-5.46,;.96,-3.57,;2.5,-3.57,;.05,-2.33,;-1.41,-2.81,)|
CCCN(CCC)c1nc(C)nc2c(-c3ccccc3)n(C)nc12
CCCN(CCC)c1nc(C)nc2c(-c3cccc(Cl)c3)n(C)nc12
COCCN(CCOC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-7.47,-.08,;-6.12,-.85,;-4.79,-1.61,;-3.46,-.84,;-2.14,-1.59,;-.79,-.82,;.54,-1.59,;1.87,-.82,;3.19,-.05,;-2.12,-3.13,;-3.45,-3.91,;-3.45,-5.45,;-4.79,-6.22,;-2.12,-6.22,;-.78,-5.45,;.68,-5.92,;1.16,-7.39,;.12,-8.53,;.61,-9.99,;2.1,-10.3,;2.59,-11.77,;3.13,-9.16,;2.66,-7.7,;3.68,-6.55,;1.59,-4.67,;3.13,-4.67,;.68,-3.42,;-.78,-3.9,)|
CCCN(CCC)c1nc(C)nc2c(nn(CCC)c12)-c1c(C)cc(C)cc1C |(-1.18,4.5,;-2.52,3.77,;-2.56,2.23,;-3.91,1.48,;-5.22,2.28,;-5.19,3.82,;-6.51,4.61,;-3.93,-.05,;-5.29,-.8,;-5.32,-2.34,;-6.66,-3.09,;-4,-3.13,;-2.65,-2.39,;-1.18,-2.9,;-.25,-1.66,;-1.14,-.4,;-.65,1.07,;.87,1.35,;1.38,2.81,;-2.61,-.85,;-.74,-4.37,;.75,-4.7,;1.8,-3.57,;1.22,-6.17,;.16,-7.31,;.61,-8.78,;-1.35,-6.96,;-1.79,-5.49,;-3.28,-5.14,)|
CCCN(CCC)c1nc(C)nc2c(-c3ccccc3Cl)n(C)nc12 |(1.06,4.4,;-.27,3.63,;-.27,2.09,;-1.6,1.32,;-2.93,2.07,;-2.94,3.61,;-4.28,4.38,;-1.6,-.22,;-2.93,-1,;-2.93,-2.54,;-4.26,-3.31,;-1.6,-3.31,;-.26,-2.54,;1.21,-3.01,;1.69,-4.48,;.66,-5.61,;1.13,-7.08,;2.64,-7.39,;3.67,-6.24,;3.19,-4.78,;4.2,-3.64,;2.13,-1.76,;3.67,-1.76,;1.21,-.51,;-.26,-.99,)|
Cc1nc(NC2CCCC2)c2nn(C)c(-c3ccc(Cl)cc3Cl)c2n1 |(-4.96,-7.33,;-3.63,-6.56,;-3.63,-5.01,;-2.3,-4.24,;-2.3,-2.7,;-3.63,-1.94,;-5.03,-2.56,;-6.06,-1.42,;-5.31,-.09,;-3.79,-.4,;-.96,-5.01,;.51,-4.53,;1.43,-5.78,;2.97,-5.78,;.51,-7.04,;.99,-8.49,;-.04,-9.63,;.43,-11.1,;1.94,-11.42,;2.41,-12.87,;2.97,-10.26,;2.49,-8.81,;3.5,-7.65,;-.96,-6.56,;-2.3,-7.33,)|
CCCN(CCN(C)C)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-5.89,-.5,;-4.56,-1.26,;-3.22,-.49,;-1.89,-1.24,;-.55,-.47,;.78,-1.24,;2.11,-.47,;3.44,-1.24,;2.11,1.07,;-1.88,-2.78,;-3.21,-3.57,;-3.21,-5.11,;-4.55,-5.88,;-1.88,-5.88,;-.55,-5.11,;.92,-5.58,;1.41,-7.05,;.37,-8.17,;.85,-9.66,;2.36,-9.97,;2.83,-11.44,;3.38,-8.82,;2.9,-7.36,;3.93,-6.21,;1.84,-4.32,;3.38,-4.32,;.92,-3.08,;-.55,-3.55,)|
CCCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-5.19,4.82,;-3.86,4.05,;-3.86,2.51,;-2.53,1.76,;-2.51,.22,;-3.84,-.56,;-3.84,-2.1,;-5.18,-2.86,;-2.51,-2.86,;-1.18,-2.1,;.29,-2.57,;.77,-4.03,;-.27,-5.17,;.21,-6.63,;1.71,-6.94,;2.19,-8.41,;2.73,-5.8,;2.27,-4.34,;3.28,-3.2,;1.2,-1.31,;2.73,-1.31,;.29,-.05,;-1.18,-.54,)|
CCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(3.45,-.61,;2.12,.16,;.78,-.61,;-.55,.16,;-1.88,-.61,;-3.2,.14,;-4.54,-.63,;-1.88,-2.15,;-3.2,-2.93,;-3.2,-4.47,;-4.53,-5.24,;-1.88,-5.24,;-.54,-4.47,;.93,-4.94,;1.4,-6.41,;.38,-7.54,;.85,-9.01,;2.36,-9.32,;2.82,-10.79,;3.38,-8.16,;2.91,-6.71,;3.92,-5.57,;1.85,-3.69,;3.38,-3.69,;.93,-2.44,;-.54,-2.92,)|
Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(CC)c1=O |(.71,4.45,;.71,2.91,;-.62,2.14,;-.62,.6,;-1.96,-.17,;-1.96,-1.71,;-3.29,-2.48,;.71,-.17,;.71,-1.71,;-.63,-2.48,;2.04,-2.48,;3.37,-1.71,;4.71,-2.48,;4.7,-4.02,;3.37,-4.79,;6.04,-4.79,;7.37,-4.02,;8.71,-4.79,;7.36,-2.47,;6.03,-1.71,;6.04,-.15,;3.37,-.17,;4.7,.61,;4.7,2.15,;2.04,.6,;2.03,2.14,)|
CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(C)c1=O
CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CCC)c1=O
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CCF)c1=O |(-1.32,-3.13,;.01,-2.36,;.01,-.82,;1.35,-.05,;1.35,1.49,;2.68,2.26,;2.68,3.8,;2.68,-.82,;2.68,-2.36,;1.34,-3.13,;4.01,-3.13,;5.35,-2.36,;6.68,-3.13,;6.68,-4.67,;5.35,-5.44,;8.01,-5.44,;9.34,-4.67,;10.69,-5.44,;9.34,-3.11,;8.01,-2.36,;7.99,-.84,;9.32,-.03,;5.35,-.82,;6.66,-.05,;6.67,1.49,;8.01,2.24,;4.01,-.05,;4,1.49,)|
CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC)n(CC)c1=O |(-3.05,-2.36,;-1.72,-1.59,;-1.72,-.05,;-.39,.72,;-.39,2.26,;.94,3.03,;.94,4.59,;.94,-.05,;.94,-1.59,;-.39,-2.36,;2.27,-2.36,;3.62,-1.59,;4.95,-2.36,;4.95,-3.9,;3.62,-4.67,;3.6,-6.21,;6.28,-4.67,;7.61,-3.9,;7.61,-2.34,;6.28,-1.59,;6.28,-.03,;7.61,.74,;3.62,-.05,;4.95,.74,;4.93,2.28,;2.27,.72,;2.27,2.26,)|
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CC(F)(F)F)c1=O |(-.37,-1.97,;.96,-1.2,;.96,.34,;2.29,1.11,;2.29,2.65,;3.62,3.43,;3.62,4.97,;3.62,.35,;3.62,-1.2,;2.29,-1.97,;4.95,-1.97,;6.28,-1.2,;7.63,-1.97,;7.61,-3.51,;6.28,-4.27,;8.96,-4.27,;10.29,-3.5,;11.63,-4.27,;10.27,-1.94,;8.94,-1.19,;8.94,.33,;10.27,1.14,;6.28,.35,;7.61,1.11,;7.61,2.65,;7.61,4.05,;8.85,3.66,;6.37,3.66,;4.95,1.12,;4.95,2.66,)|
CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CC)c1=O
CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC(F)F)n(CC)c1=O |(-3.63,-2.15,;-2.3,-1.38,;-2.3,.16,;-.96,.93,;-.96,2.47,;.37,3.24,;.37,4.78,;.37,.16,;.37,-1.38,;-.97,-2.15,;1.7,-2.15,;3.04,-1.38,;4.37,-2.15,;4.37,-3.69,;3.04,-4.46,;3.03,-6,;5.7,-4.46,;7.03,-3.69,;7.03,-2.15,;5.7,-1.38,;5.7,.18,;7.05,.93,;7.05,2.47,;8.38,.16,;3.04,.16,;4.37,.93,;4.36,2.47,;1.7,.93,;1.69,2.47,)|
CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CCOC)c1=O
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(C)c1=O |(-3.29,-2.48,;-1.96,-1.71,;-1.96,-.17,;-.62,.6,;-.62,2.14,;.71,2.91,;.71,4.45,;.71,-.17,;.71,-1.71,;-.63,-2.48,;2.04,-2.48,;3.37,-1.71,;4.71,-2.48,;6.03,-1.71,;6.04,-.15,;7.36,-2.47,;7.37,-4.02,;8.71,-4.79,;6.04,-4.79,;4.7,-4.02,;3.37,-4.79,;3.37,-.17,;4.7,.61,;2.04,.6,;2.03,2.14,)|
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(C)c1=O |(-.16,-1.9,;1.18,-1.13,;1.18,.41,;2.51,1.18,;2.51,2.73,;3.84,3.5,;3.84,5.04,;3.84,.41,;3.84,-1.13,;2.51,-1.9,;5.18,-1.9,;6.52,-1.13,;7.86,-1.9,;7.86,-3.44,;6.52,-4.22,;9.2,-4.22,;10.53,-3.44,;11.86,-4.22,;10.52,-1.89,;9.19,-1.13,;9.17,.41,;10.51,1.19,;6.52,.41,;7.84,1.17,;5.18,1.18,;5.18,2.73,)|
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CC)c1=O |(3.84,5.04,;3.84,3.5,;2.51,2.73,;2.51,1.18,;1.18,.41,;1.18,-1.13,;-.16,-1.9,;3.84,.41,;3.84,-1.13,;2.51,-1.9,;5.18,-1.9,;6.52,-1.13,;7.86,-1.9,;7.86,-3.44,;6.52,-4.22,;9.2,-4.22,;10.53,-3.44,;11.86,-4.22,;10.52,-1.89,;9.19,-1.13,;9.17,.39,;10.51,1.19,;6.52,.41,;7.84,1.17,;7.84,2.71,;5.18,1.18,;5.18,2.73,)|
CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)n(CC)c1=O
CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CC2CC2)c1=O
CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)n(CC)c1=O |(.82,4.8,;.82,3.26,;-.51,2.49,;-.51,.95,;-1.84,.18,;-1.84,-1.36,;-3.17,-2.13,;.82,.18,;.82,-1.36,;-.51,-2.13,;-.51,-3.67,;2.15,-2.13,;3.48,-1.36,;4.83,-2.13,;4.81,-3.67,;3.48,-4.44,;6.16,-4.44,;7.49,-3.67,;8.83,-4.44,;7.47,-2.12,;6.14,-1.36,;6.16,.2,;7.47,.96,;3.48,.18,;4.81,.96,;4.81,2.5,;2.15,.95,;2.15,2.49,)|
CCCN(CCC)c1c(CC)nc([nH]c1=O)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)n(C)c1=O |(-3.17,-2.13,;-1.84,-1.36,;-1.84,.18,;-.51,.95,;-.51,2.49,;.82,3.26,;.82,4.8,;.82,.18,;.82,-1.36,;-.51,-2.13,;-.51,-3.67,;2.15,-2.13,;3.48,-1.36,;4.83,-2.13,;4.81,-3.67,;3.48,-4.44,;6.16,-4.44,;7.49,-3.67,;8.83,-4.44,;7.47,-2.12,;6.14,-1.36,;6.14,.16,;7.47,.96,;3.48,.18,;4.81,.96,;2.15,.95,;2.15,2.49,)|
CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC)n(C)c1=O |(.94,4.59,;.94,3.03,;-.39,2.26,;-.39,.72,;-1.72,-.05,;-1.72,-1.59,;-3.05,-2.36,;.94,-.05,;.94,-1.59,;-.39,-2.36,;2.27,-2.36,;3.62,-1.59,;4.95,-2.36,;6.28,-1.59,;6.28,-.03,;7.61,.74,;7.61,-2.34,;7.61,-3.9,;6.28,-4.67,;4.95,-3.9,;3.62,-4.67,;3.6,-6.21,;3.62,-.05,;4.95,.74,;2.27,.72,;2.27,2.26,)|
CCCN(CCC)c1c(C)nc([nH]c1=O)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CCC)c1=O |(3.83,5.03,;3.83,3.49,;2.5,2.72,;2.5,1.18,;1.17,.41,;1.17,-1.13,;-.16,-1.9,;3.83,.41,;3.83,-1.13,;2.5,-1.9,;5.16,-1.9,;6.51,-1.13,;7.85,-1.9,;7.84,-3.44,;6.51,-4.21,;9.18,-4.21,;10.51,-3.44,;11.84,-4.21,;10.5,-1.89,;9.17,-1.13,;9.15,.39,;10.48,1.19,;6.51,.41,;7.82,1.17,;7.82,2.71,;9.17,3.47,;5.16,1.18,;5.16,2.72,)|
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(C(C)C)c1=O |(-.37,-1.97,;.96,-1.2,;.96,.34,;2.29,1.11,;2.29,2.65,;3.62,3.43,;3.62,4.97,;3.62,.35,;3.62,-1.2,;2.29,-1.97,;4.95,-1.97,;6.28,-1.2,;7.63,-1.97,;7.61,-3.51,;6.28,-4.27,;8.96,-4.27,;10.29,-3.5,;11.63,-4.27,;10.27,-1.94,;8.94,-1.19,;8.94,.33,;10.27,1.14,;6.28,.35,;7.61,1.11,;7.61,2.65,;9.08,1.51,;4.95,1.12,;4.95,2.66,)|
CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CCC)nc12 |(9.01,4.85,;8.05,3.64,;8.61,2.22,;7.64,1.02,;8.19,-.4,;9.72,-.64,;10.68,.56,;12.19,.33,;13.16,1.53,;7.23,-1.6,;7.8,-3.03,;6.84,-4.22,;7.4,-5.66,;5.31,-3.98,;4.75,-2.57,;3.33,-2.02,;2.09,-2.91,;2.26,-4.45,;1.01,-5.36,;-.4,-4.73,;-1.64,-5.64,;-.56,-3.21,;.68,-2.29,;.53,-.75,;3.4,-.51,;2.19,.44,;2.43,1.97,;1.22,2.92,;4.87,-.1,;5.71,-1.37,)|
CCCCN(CCCC)c1cc(C)nc2c(nn(C(C)C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CC)c1cc(C)nc2c(n[nH]c12)-c1ccc(Cl)cc1Cl
CCCCN(CCCC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)nc12 |(16.55,-8.33,;16.01,-6.88,;14.49,-6.64,;13.93,-5.21,;12.41,-4.96,;11.85,-3.54,;12.81,-2.34,;12.25,-.9,;10.73,-.66,;11.43,-6.18,;11.99,-7.6,;11.04,-8.81,;11.6,-10.24,;9.51,-8.58,;8.95,-7.13,;7.51,-6.6,;6.27,-7.48,;4.86,-6.87,;4.68,-5.34,;3.61,-7.78,;3.77,-9.31,;2.52,-10.22,;5.17,-9.94,;6.43,-9.03,;7.85,-9.66,;7.58,-5.08,;6.36,-4.12,;9.05,-4.66,;9.91,-5.94,)|
CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CC)nc12 |(8.98,6.26,;8.02,5.05,;8.58,3.61,;7.61,2.42,;8.17,.99,;9.68,.75,;10.65,1.95,;7.19,-.22,;7.76,-1.64,;6.79,-2.84,;7.35,-4.27,;5.28,-2.61,;4.72,-1.17,;3.27,-.64,;2.04,-1.54,;2.2,-3.06,;.96,-3.97,;-.46,-3.34,;-1.7,-4.25,;-.62,-1.82,;.64,-.91,;.47,.63,;3.34,.88,;2.14,1.83,;2.38,3.36,;4.82,1.3,;5.67,.02,)|
CCCN(CC1CC1)c1cc(C)nc2c(n[nH]c12)-c1ccc(Cl)cc1Cl
CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(14.42,2.44,;13.46,1.25,;11.94,1.47,;10.97,.27,;9.45,.51,;8.89,1.95,;9.86,3.14,;9.3,4.59,;10.27,5.78,;8.47,-.68,;9.05,-2.12,;8.08,-3.32,;8.64,-4.76,;6.56,-3.09,;6,-1.66,;4.56,-1.1,;3.32,-2.01,;3.48,-3.54,;2.24,-4.45,;.82,-3.82,;-.42,-4.73,;.66,-2.29,;1.92,-1.38,;1.76,.16,;4.62,.41,;3.43,1.37,;6.11,.82,;6.96,-.45,)|
CCCN(CCC)c1cc(C)nc2c(-c3ccccc3)n(C)nc12
CCCCN(CCCC)c1cc(C)nc2c(n[nH]c12)-c1ccc(Cl)cc1Cl
CCCN(CCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CC)nc12 |(8.04,5.06,;8.6,3.62,;7.62,2.42,;8.18,1,;9.7,.75,;10.68,1.95,;10.12,3.39,;12.19,1.72,;7.2,-.22,;7.78,-1.64,;6.81,-2.85,;7.37,-4.28,;5.29,-2.62,;4.73,-1.18,;3.28,-.64,;2.04,-1.54,;2.2,-3.07,;.96,-3.98,;-.46,-3.35,;-1.71,-4.26,;-.62,-1.82,;.64,-.91,;.48,.63,;3.35,.88,;2.15,1.84,;2.38,3.36,;4.84,1.3,;5.68,.02,)|
CCCCN(CCc1ccc(OC)cc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(12.2,6.71,;11.25,5.52,;11.81,4.07,;10.83,2.88,;11.39,1.45,;12.9,1.2,;13.46,-.23,;14.98,-.47,;15.53,-1.9,;17.05,-2.15,;18.01,-.94,;19.53,-1.17,;20.5,.02,;17.45,.51,;15.93,.74,;10.42,.25,;10.99,-1.19,;10.03,-2.39,;10.59,-3.82,;8.5,-2.15,;7.94,-.72,;6.51,-.17,;5.27,-1.08,;5.43,-2.61,;4.18,-3.52,;2.77,-2.89,;1.52,-3.8,;2.61,-1.36,;3.86,-.45,;3.71,1.09,;6.58,1.34,;5.37,2.3,;8.05,1.75,;8.89,.48,)|
CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(8.04,5.07,;8.6,3.62,;7.63,2.42,;8.19,1,;9.71,.75,;10.69,1.96,;12.21,1.72,;10.12,3.39,;7.21,-.22,;7.79,-1.64,;6.81,-2.85,;7.37,-4.29,;5.29,-2.62,;4.73,-1.18,;3.28,-.64,;2.04,-1.54,;2.21,-3.07,;.96,-3.98,;-.46,-3.35,;-1.71,-4.26,;-.62,-1.82,;.64,-.91,;.48,.63,;3.35,.88,;2.15,1.84,;4.84,1.3,;5.69,.02,)|
CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(C)cc3Cl)n(CC)nc12 |(8.86,4.53,;9.42,3.1,;8.46,1.89,;9.02,.46,;10.54,.23,;11.1,-1.22,;12.62,-1.46,;10.13,-2.41,;8.05,-.75,;8.61,-2.18,;7.65,-3.37,;8.21,-4.82,;6.12,-3.14,;5.56,-1.71,;4.12,-1.17,;2.88,-2.06,;3.05,-3.61,;1.78,-4.52,;.38,-3.89,;-.86,-4.79,;.22,-2.36,;1.47,-1.43,;1.31,.09,;4.19,.35,;2.98,1.31,;3.21,2.84,;5.66,.76,;6.52,-.51,)|
CCCCN(CC)c1cc(C)nc2c(nn(CC)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(OC)cc3Cl)n(C)nc12 |(16.56,-7.58,;16.02,-6.13,;14.5,-5.9,;13.94,-4.47,;12.42,-4.22,;11.85,-2.79,;12.82,-1.59,;12.26,-.15,;10.74,.09,;11.44,-5.43,;12,-6.86,;11.04,-8.07,;11.61,-9.5,;9.52,-7.83,;8.96,-6.39,;7.51,-5.85,;6.27,-6.76,;6.44,-8.28,;5.18,-9.2,;3.77,-8.57,;2.53,-9.48,;2.69,-11.01,;3.61,-7.04,;4.86,-6.13,;4.68,-4.59,;7.58,-4.33,;6.37,-3.37,;9.06,-3.91,;9.91,-5.2,)|
CCCCN(CCCC)c1cc(C)nc2c(nn(CC)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(nc12)C(C)C |(13.19,1.53,;12.21,.33,;10.7,.56,;9.74,-.64,;8.21,-.4,;7.65,1.03,;8.63,2.23,;8.07,3.65,;9.02,4.86,;7.24,-1.61,;7.81,-3.04,;6.85,-4.22,;7.41,-5.67,;5.32,-3.99,;4.76,-2.57,;3.33,-2.03,;2.1,-2.92,;2.26,-4.46,;1.01,-5.37,;-.4,-4.74,;-1.65,-5.65,;-.56,-3.21,;.68,-2.29,;.54,-.75,;3.4,-.51,;4.88,-.1,;5.72,-1.37,;2.2,.44,;2.43,1.97,;.77,-.12,)|
CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(8.98,6.26,;8.02,5.05,;8.58,3.61,;7.61,2.42,;8.17,.99,;9.68,.75,;10.65,1.95,;7.19,-.22,;7.76,-1.64,;6.79,-2.84,;7.35,-4.27,;5.28,-2.61,;4.72,-1.17,;3.27,-.64,;2.04,-1.54,;2.2,-3.06,;.96,-3.97,;-.46,-3.34,;-1.7,-4.25,;-.62,-1.82,;.64,-.91,;.47,.63,;3.34,.88,;2.14,1.83,;4.82,1.3,;5.67,.02,)|
CCCN(CC1CC1)c1cc(C)nc2c(nn(CC)c12)-c1ccc(Cl)cc1Cl
CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)n(C)nc12
CCCCN(CCCC)c1cc(C)nc2c(nn(CCC)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(CC)nc12 |(6.49,5.28,;8.02,5.05,;8.58,3.61,;7.61,2.42,;8.17,.99,;9.68,.75,;10.65,1.95,;12.17,1.72,;12.73,.28,;7.19,-.22,;7.76,-1.64,;6.79,-2.84,;7.35,-4.27,;5.28,-2.61,;4.72,-1.17,;3.27,-.64,;2.04,-1.54,;2.2,-3.06,;.96,-3.97,;-.46,-3.34,;-1.7,-4.25,;-.62,-1.82,;.64,-.91,;.47,.63,;3.34,.88,;2.14,1.83,;2.38,3.36,;4.82,1.3,;5.67,.02,)|
CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(C)cc3Cl)n(CC)nc12 |(9.84,5.74,;8.86,4.52,;9.42,3.1,;8.46,1.89,;9.02,.46,;10.54,.23,;11.1,-1.22,;12.62,-1.46,;13.58,-.26,;8.04,-.75,;8.61,-2.18,;7.65,-3.37,;8.21,-4.82,;6.12,-3.14,;5.56,-1.71,;4.12,-1.17,;2.88,-2.06,;3.05,-3.61,;1.78,-4.52,;.38,-3.89,;-.86,-4.79,;.22,-2.36,;1.47,-1.43,;1.31,.09,;4.19,.35,;2.97,1.31,;3.21,2.84,;5.66,.76,;6.52,-.51,)|
CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(C)cc1Cl
CCCCCN(CCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCSC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCN(CCCOC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
COCCN(C(C)C)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CC1CCCO1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCCOC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCc1ccccn1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(C(CC)CC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCCN(CC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCN(CCCOC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCCN(CCOC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCNc1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(Cc1ccncc1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1
CCN(CCOC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1c(C)cc(C)cc1C |(15.65,1.54,;14.64,.39,;13.12,.69,;12.1,-.45,;10.59,-.15,;10.1,1.31,;11.11,2.47,;10.64,3.93,;11.65,5.09,;9.56,-1.31,;10.04,-2.77,;9.01,-3.91,;9.5,-5.39,;7.51,-3.6,;7.02,-2.14,;5.62,-1.52,;5.78,.02,;7.28,.34,;7.91,1.75,;8.05,-.99,;4.29,-2.3,;4.29,-3.84,;5.63,-4.61,;2.95,-4.61,;1.62,-3.84,;.28,-4.61,;1.62,-2.3,;2.95,-1.53,;2.95,.02,)|
CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1c(C)cc(C)cc1Cl |(15.65,1.54,;14.64,.39,;13.12,.69,;12.1,-.45,;10.59,-.15,;10.1,1.31,;11.11,2.47,;10.64,3.93,;11.65,5.09,;9.56,-1.31,;10.04,-2.77,;9.01,-3.91,;9.5,-5.39,;7.51,-3.6,;7.02,-2.14,;5.62,-1.52,;5.78,.02,;7.28,.34,;7.91,1.75,;8.05,-.99,;4.29,-2.3,;4.29,-3.84,;5.63,-4.61,;2.95,-4.61,;1.62,-3.84,;.28,-4.61,;1.62,-2.3,;2.95,-1.53,;2.95,.02,)|
CCCCN(CCOC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCN(CC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
COCCN(C)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Cc1cc(NCc2ccc(O)cc2)c2n(C)nc(-c3ccc(Cl)cc3Cl)c2n1
CCCC(CO)Nc1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCc1ccncc1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
COCCN(CC(C)C)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCN(Cc1ccc(O)cc1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCN(CCO)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCCCN(CCOC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CC(C)CN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CC1CCCN1C)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(OC)cc1Cl
CCCN(C)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
CCCN(Cc1ccccc1)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
CSc1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Cc1cc(C)c2cccc(-c3ccc(Cl)cc3Cl)c2n1
CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccccc1
COCCN(CCOC)c1cc(C)nc2c(c(C)ccc12)-c1ccc(Cl)cc1Cl |(12.16,1.51,;10.69,1.11,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;10.69,-3.51,;10.69,-5.05,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;1.35,1.86,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;1.35,-2.75,;.02,-3.52,;-1.32,-2.75,;-2.65,-3.52,;-1.32,-1.21,;.01,-.44,;.02,1.1,)|
CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(C)cc1
Cc1cc(Cl)c2cccc(-c3ccc(Cl)cc3Cl)c2n1
CCCN(Cc1ccccc1)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(9.34,3.42,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;10.69,-3.5,;10.69,-5.04,;9.36,-5.82,;8.03,-5.05,;8.01,-3.51,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(OC)cc1
CCCN(CCC)c1cc(C)nc2c(c(OC)ccc12)-c1ccc(Cl)cc1
CCCCN(CC)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(10.69,-5.05,;10.69,-3.51,;9.36,-2.74,;9.36,-1.2,;8.01,-.43,;8.01,1.11,;9.34,1.88,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
CCCN(CC1CC1)c1cc(C)nc2c(c(C)ccc12)-c1ccc(Cl)cc1Cl |(10.69,1.11,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;8.03,-3.51,;10.69,-3.51,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;1.35,1.86,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;1.35,-2.75,;.02,-3.52,;-1.32,-2.75,;-2.65,-3.52,;-1.32,-1.21,;.01,-.44,;.02,1.1,)|
Cc1cc(O)c2cccc(-c3ccc(Cl)cc3Cl)c2n1
CCCN(CCC)c1cc(C)nc2c(c(C)ccc12)-c1ccc(Cl)cc1Cl |(10.69,1.11,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;10.69,-3.51,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;1.35,1.86,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;1.35,-2.75,;.02,-3.52,;-1.32,-2.75,;-2.65,-3.52,;-1.32,-1.21,;.01,-.44,;.02,1.1,)|
COc1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
CCCCN(CCC)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(12.02,-2.74,;10.69,-3.51,;9.36,-2.74,;9.36,-1.2,;8.01,-.43,;8.01,1.11,;9.34,1.88,;9.34,3.42,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
CCCN(CC1CC1)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(9.34,3.42,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;8.03,-3.51,;10.69,-3.51,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(OC)cc1OC
COCCN(CCOC)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(10.67,4.19,;9.34,3.42,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;10.69,-3.51,;12.02,-2.74,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1
CCCN(CC1CC1)Cc1sc(Nc2ccc(cc2Br)C(C)C)nc1C(F)(F)F
CCCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)nc1C(F)(F)F
CCCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
CCCN(CC1CC1)Cc1sc(Nc2ccc(OC)cc2OC)nc1C(F)(F)F
CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1CC
CCCN(CC1CC1)Cc1oc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
CCCN(CC1CC1)Cc1sc(nc1C(F)(F)F)N(CC)c1ccc(cc1Br)C(C)C
COCCN(CCOC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C
CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(Cl)cc2C)nc1C(F)(F)F
CCCN(CC1CC1)Cc1sc(Nc2c(Br)cc(C)cc2Br)nc1C(F)(F)F
CCCN(CC1CC1)Cc1sc(nc1C(F)(F)F)N(C)c1c(C)cc(C)cc1Cl
CCCN(CC1CC1)Cc1sc(Nc2c(CC)cccc2CC)nc1C(F)(F)F
CCCN(CCC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C
CCCCN(CC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C
CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(Cl)cc2Cl)nc1C(F)(F)F
CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2Br)nc1C(F)(F)F
CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F
CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F
CCCN(CC1CC1)C(=O)c1sc(Nc2c(C)cc(C)cc2C)nc1C
CCCN(CC1CC1)Cc1sc(Nc2c(Br)cc(Br)cc2Br)nc1C(F)(F)F
CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C
CCN(CCOC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C
CCCN(CC1CC1)Cc1sc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F
CCN(CC)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C
CCCN(CC1CC1)Cc1sc(nc1C(F)(F)F)N(CC)c1c(C)cc(C)cc1Cl
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](N)Cc2ccccc2)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)C(=O)CN[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)NCC(N)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
CCCN(C1CCCC1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC
CCCN(c1nccc(n1)-c1c(OC)cc(OC)cc1OC)C1(CC1)c1cccs1
CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1c(C)cc(OC)cc1OC |(15.35,-8.38,;15.35,-6.84,;14.01,-6.08,;13.99,-4.54,;15.32,-3.75,;15.32,-2.21,;16.09,-.87,;14.55,-.89,;16.67,-4.52,;17.44,-5.85,;18.2,-4.52,;12.66,-3.77,;12.65,-2.22,;11.3,-1.46,;9.97,-2.23,;8.64,-1.47,;9.98,-3.77,;11.32,-4.54,;8.66,-4.54,;8.66,-6.1,;9.99,-6.87,;7.32,-6.87,;5.99,-6.1,;4.65,-6.86,;4.65,-8.4,;5.99,-4.56,;7.32,-3.77,;7.32,-2.25,;5.97,-1.48,)|
COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1
CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1ccc(OC)cc1OC
CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1ccc(Br)cc1
CCCN(C(C1CC1)C1CC1)c1ncc(CC)c(n1)-c1ccc(OC)cc1OC
CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1ccc(Br)cc1C
CCCN(c1nccc(n1)-c1c(OC)cc(OC)cc1OC)C1(CC1)c1ccsc1
CCCN(c1nccc(n1)-c1c(OC)cc(OC)cc1OC)C1(CC1)c1ccoc1
CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(F)cc(OC)cc1OC
CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1ccc(OC)cc1OC
CCCN([C@H](C1CC1)c1ccccc1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC
COc1cc(OC)c(c(OC)c1)-c1ccnc(n1)N(CC=C)C(C1CC1)C1CC1
CN(C(C(=O)CCc1ccncc1)c1ccccc1Br)c1ccccc1Cl
COc1ccc(OC)c(c1)C(Nc1ccc(C)cc1Cl)C(=O)CCc1ccncc1
Cc1ccc(NC(C(=O)CCc2ccccn2)c2ccccc2Br)c(Cl)c1
Cc1ccccc1C(Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(O)c1
CC(C)c1ccccc1C(Nc1ccc(C)cc1Cl)C(=O)CCc1ccncc1
Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2Br)c(Cl)c1
Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2C)c(Cl)c1
Cc1cccc(C)c1C(Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1
COc1ccc(cc1O)C(=O)C(Nc1ccc(Cl)cc1Cl)c1ccccc1C
Cc1ccc(NC(C(=O)CCc2ccc(F)cc2)c2ccccc2Br)c(Cl)c1
Cc1cc(F)ccc1C(Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1
Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2F)c(Cl)c1
Clc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2Br)c(Cl)c1
COc1ccc(cc1O)C(=O)C(Nc1ccc(C)cc1Cl)c1ccccc1Br
COc1ccccc1C(Nc1ccc(C)cc1Cl)C(=O)CCc1ccncc1
Cc1ccc(N[C@@H](C(=O)CCc2ccncc2)c2ccccc2Br)c(Cl)c1
Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2C=C)c(Cl)c1
Cc1ccccc1[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1
Cc1ccc(NC(C(=O)CCc2ccccc2)c2ccccc2Br)c(Cl)c1
COc1cccc(c1)C(Nc1ccc(C)cc1Cl)C(=O)CCc1ccncc1
CC(=O)Nc1cccc(c1)C(=O)C(Nc1ccc(Cl)cc1Cl)c1ccccc1Br
Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2C)c(F)c1
Cc1ccc(NC(C(=O)CCc2cnc[nH]2)c2ccccc2Br)c(Cl)c1
Cc1ccccc1C(Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1
Cc1ccc(NC(C(=O)CCc2ccncc2)c2cccc(Cl)c2)c(Cl)c1
Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2Cl)c(Cl)c1
Cc1cccc(c1)C(Nc1ccc(C)cc1Cl)C(=O)CCc1ccncc1
COc1ccc(cc1OC)C(=O)C(Nc1ccc(Cl)cc1Cl)c1ccccc1C
Cc1ccc(NC(C(=O)Cc2ccncc2)c2ccccc2Br)c(Cl)c1
Cc1ccc(N[C@@H](C(=O)CCc2ccncc2)c2ccccc2C)c(Cl)c1
CCc1ccccc1C(Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1
COc1ccc(C(Nc2ccc(C)cc2Cl)C(=O)CCc2ccncc2)c(OC)c1
Cc1ccccc1[C@H](Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1
Cc1ccc(cc1)C(Nc1ccc(C)cc1Cl)C(=O)CCc1ccncc1
Clc1ccccc1NC(C(=O)CCc1ccncc1)c1ccccc1Br
Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2C)c(c1)C(F)(F)F
COc1cccc(OC)c1C(Nc1ccc(C)cc1Cl)C(=O)CCc1ccncc1
Cc1ccccc1C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCc1ccncc1
Cc1ccc(NC(C(=O)CCc2cccnc2)c2ccccc2Br)c(Cl)c1
FC(F)(F)c1ccccc1C(Nc1ccc(Cl)cc1Cl)C(=O)CCc1ccncc1
Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccc(Cl)cc2)c(Cl)c1
Cc1ccc(NC(C(=O)CCc2ccncc2)c2ccccc2)c(Cl)c1
CNC(=O)c1cccc(c1)C(=O)C(Nc1ccc(C)cc1Cl)c1ccccc1Br
CCCN(CCC)c1cc(C)nc2c(c(CO)nn12)-c1ccc(Cl)cc1
CCCN(CCC)c1cc(CC)nc2c(c(C)nn12)-c1ccc(Cl)cc1
CCCN(CCC)c1cc(nc2c(c(C)nn12)-c1ccc(Cl)cc1)C(F)(F)F
CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(14.58,-6.56,;14.55,-8.11,;15.86,-8.9,;15.82,-10.44,;17.14,-11.26,;17.09,-12.79,;18.4,-13.59,;15.74,-13.52,;14.47,-11.19,;14.42,-12.73,;13.05,-13.48,;13.01,-15,;11.73,-12.65,;11.78,-11.11,;10.69,-10.04,;11.35,-8.64,;10.61,-7.28,;12.88,-8.86,;13.15,-10.37,;9.17,-10.3,;8.65,-11.75,;7.14,-12.03,;6.13,-10.83,;4.63,-11.12,;4.1,-12.56,;6.66,-9.39,;8.18,-9.12,;8.7,-7.66,;7.72,-6.5,)|
CCCN(CCO)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(14.35,-6.18,;14.31,-7.72,;15.63,-8.52,;15.59,-10.06,;16.9,-10.87,;16.85,-12.4,;18.17,-13.21,;14.23,-10.8,;14.19,-12.34,;12.81,-13.08,;12.77,-14.61,;11.51,-12.27,;11.55,-10.71,;10.45,-9.64,;11.11,-8.27,;10.39,-6.9,;12.65,-8.48,;12.92,-9.99,;8.94,-9.92,;8.42,-11.36,;6.91,-11.64,;5.91,-10.46,;4.39,-10.73,;3.88,-12.18,;6.42,-9.01,;7.94,-8.73,;8.48,-7.29,;7.49,-6.11,)|
CCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(12.65,-5.99,;12.6,-7.53,;13.92,-8.34,;13.89,-9.88,;15.19,-10.68,;15.15,-12.22,;16.47,-13.03,;16.45,-14.57,;12.53,-10.61,;12.48,-12.15,;11.11,-12.9,;11.06,-14.42,;9.8,-12.09,;9.85,-10.53,;8.75,-9.45,;9.41,-8.08,;8.68,-6.72,;10.95,-8.29,;11.22,-9.8,;7.23,-9.73,;6.72,-11.18,;5.21,-11.45,;4.21,-10.28,;2.69,-10.55,;2.18,-11.99,;4.72,-8.83,;6.24,-8.55,;6.77,-7.1,;5.79,-5.93,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cccc(OC)c1
CCCN(CCC)c1cc(COC)nc2c(c(C)nn12)-c1ccc(Cl)cc1
CCCCN(CC)c1cc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(15.07,3.86,;13.72,3.12,;13.67,1.59,;14.99,.78,;14.95,-.75,;16.26,-1.56,;16.21,-3.1,;13.6,-1.49,;13.55,-3.03,;12.18,-3.78,;12.13,-5.3,;10.87,-2.96,;10.92,-1.41,;9.81,-.33,;10.47,1.04,;9.75,2.4,;12.01,.83,;13.1,1.93,;12.29,-.68,;8.31,-.61,;7.3,.57,;7.84,2.02,;5.79,.3,;5.28,-1.15,;3.76,-1.42,;6.27,-2.33,;7.79,-2.06,;8.77,-3.22,)|
CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(12.35,-6.41,;12.32,-7.95,;13.63,-8.75,;14.98,-8.03,;15.03,-6.49,;13.59,-10.29,;12.23,-11.03,;12.18,-12.57,;10.82,-13.32,;10.78,-14.85,;9.5,-12.5,;9.55,-10.95,;8.45,-9.88,;9.12,-8.49,;8.38,-7.14,;10.64,-8.7,;10.92,-10.22,;6.94,-10.14,;6.42,-11.59,;4.9,-11.87,;3.9,-10.68,;2.4,-10.96,;1.87,-12.41,;4.43,-9.24,;5.95,-8.98,;6.47,-7.51,;5.49,-6.34,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(CN)cc1
CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(18.13,-14.85,;18.17,-13.31,;16.86,-12.51,;16.91,-10.98,;15.58,-10.16,;15.63,-8.62,;14.32,-7.82,;14.24,-10.9,;14.19,-12.44,;12.82,-13.19,;12.78,-14.72,;11.5,-12.37,;11.55,-10.83,;10.45,-9.75,;11.12,-8.36,;10.39,-7.01,;12.65,-8.58,;12.92,-10.09,;8.94,-10.02,;8.42,-11.46,;6.91,-11.74,;5.9,-10.56,;4.4,-10.83,;3.88,-12.28,;6.44,-9.11,;7.95,-8.85,;8.48,-7.38,;7.49,-6.21,)|
CCCN(CC1CC1)c1cc(SC)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(14.51,-6.15,;14.47,-7.69,;15.77,-8.49,;15.74,-10.02,;17.05,-10.83,;17.01,-12.37,;18.31,-13.17,;15.65,-13.1,;14.39,-10.76,;14.34,-12.3,;12.97,-13.05,;12.93,-14.57,;11.58,-15.31,;11.66,-12.23,;11.71,-10.68,;10.6,-9.61,;11.28,-8.23,;10.55,-6.87,;12.81,-8.44,;13.07,-9.96,;9.1,-9.88,;8.57,-11.33,;7.06,-11.6,;6.07,-10.42,;4.57,-10.7,;6.59,-8.98,;8.1,-8.7,;8.5,-7.21,)|
CCCN(CCC)c1cc(C)nc2c(c(CN(C)C)nn12)-c1ccc(Cl)cc1
CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1
COCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(18.16,-15.18,;18.17,-13.64,;16.85,-12.84,;16.9,-11.3,;15.59,-10.5,;15.63,-8.96,;14.31,-8.15,;14.35,-6.61,;15.7,-5.88,;14.24,-11.23,;14.19,-12.77,;12.81,-13.52,;12.77,-15.04,;11.51,-12.7,;11.55,-11.15,;10.45,-10.07,;11.11,-8.69,;10.39,-7.33,;12.65,-8.91,;12.92,-10.42,;8.94,-10.35,;8.42,-11.8,;6.91,-12.07,;5.91,-10.88,;4.39,-11.17,;3.88,-12.61,;6.42,-9.44,;7.94,-9.16,;8.48,-7.72,;7.49,-6.55,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OCCN(C)C)cc1
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccccc1OC |(16,-6.41,;15.97,-7.95,;14.61,-8.69,;14.57,-10.23,;15.88,-11.02,;15.84,-12.56,;17.15,-13.38,;13.22,-10.95,;13.18,-12.49,;11.81,-13.24,;11.76,-14.78,;10.5,-12.42,;10.54,-10.88,;9.43,-9.81,;10.11,-8.43,;9.38,-7.06,;11.64,-8.63,;11.9,-10.15,;7.93,-10.08,;7.4,-11.53,;5.88,-11.79,;4.9,-10.61,;5.42,-9.18,;6.93,-8.9,;7.47,-7.46,;6.47,-6.26,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)c(OC)c1
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(17.03,-6.41,;17,-7.95,;15.62,-8.69,;15.6,-10.23,;16.9,-11.03,;16.86,-12.57,;18.17,-13.39,;14.25,-10.96,;14.19,-12.5,;12.82,-13.25,;12.78,-14.79,;11.51,-12.43,;11.56,-10.89,;10.45,-9.82,;11.12,-8.43,;10.4,-7.06,;12.65,-8.64,;12.92,-10.16,;8.95,-10.09,;8.42,-11.54,;6.9,-11.8,;5.91,-10.62,;4.4,-10.89,;3.89,-12.34,;6.44,-9.18,;7.95,-8.91,;8.48,-7.46,;7.48,-6.27,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(cc1)C#N
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccccc1
CCCN(CC1CC1)c1cc(nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl)S(C)=O |(9.67,-6.94,;9.62,-8.48,;10.93,-9.29,;10.89,-10.82,;12.19,-11.62,;12.15,-13.16,;13.47,-13.96,;11.06,-14.25,;9.55,-11.55,;9.5,-13.08,;8.13,-13.83,;6.83,-13.02,;6.87,-11.48,;5.75,-10.42,;6.43,-9.03,;5.71,-7.67,;7.97,-9.24,;8.24,-10.74,;4.27,-10.68,;3.75,-12.12,;2.24,-12.39,;1.25,-11.21,;-.24,-11.62,;1.76,-9.78,;3.27,-9.51,;4.04,-8.17,;8.08,-15.36,;9.4,-16.18,;6.73,-16.09,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(cc1)C(O)=O
CCCN(CC1CC1)c1cc(nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl)S(C)(=O)=O |(13.26,-5.31,;13.23,-6.85,;14.54,-7.65,;14.49,-9.18,;15.81,-9.99,;15.77,-11.53,;17.08,-12.33,;14.67,-12.61,;13.14,-9.93,;13.09,-11.46,;11.74,-12.2,;10.41,-11.4,;10.46,-9.83,;9.37,-8.77,;10.04,-7.39,;9.3,-6.03,;11.56,-7.6,;11.84,-9.12,;7.85,-9.05,;7.34,-10.5,;5.83,-10.76,;4.82,-9.59,;3.33,-9.98,;5.35,-8.14,;6.87,-7.86,;7.62,-6.53,;11.69,-13.73,;11.28,-15.22,;10.34,-14.47,;13,-14.55,)|
CCC(CC)Nc1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
CCCN(CC1CC1)c1cc(nc(C)n1)C(C)(C)c1c(OC)cc(OC)cc1OC
Cc1cc(C)c(C(=O)c2nc(C)nc(N3CCCC3)c2C)c(C)c1
Cc1cc(C)c(C(=O)c2nc(C)nc(N3CCOCC3)c2C)c(C)c1
CCCN(CC1CC1)c1cc(nc(C)n1)C(=C)c1c(OC)cc(OC)cc1OC
CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(CC)cc(CC)cc2CC)c1C
COC[C@@H]1CCCN1c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
CCCN(c1ccccc1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
CCCN(CCC)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
CCCN(CC1CC1)c1cc(nc(C)n1)C(=O)c1c(C)c(C)c(C)c(C)c1C
CCCN(CC1CC1)c1cc(nc(C)n1)C(O)c1c(OC)cc(OC)cc1OC
COCCN(CCOC)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
Cc1cc(C)c(C(=O)c2nc(C)nc(N(CC=C)CC=C)c2C)c(C)c1
CCCN(CC1CC1)c1nc(C)nc(C(=O)c2ccc(OC)cc2OC)c1C
CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1CC=C
CCCN(CC1CC1)c1cc(Cc2c(OC)cc(OC)cc2OC)nc(C)n1
CCCN(CC1CC1)c1cc(nc(C)n1)C(C)c1c(OC)cc(OC)cc1OC
CCCN(CC1CC1)c1cc(nc(C)n1)C(=O)c1c(OC)cc(OC)cc1OC
CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1CC
CCN(c1ccccc1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
CCCN(CCO)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C
CCCN(CC1CC1)c1cc(nc(C)n1)C(C)(O)c1c(OC)cc(OC)cc1OC
CCCN(CC1CC1)c1cc(nc(C)n1)C(OC)c1c(CC)cc(CC)cc1CC
CCCN(CC1CC1)c1cc(C)nc(n1)C(=O)c1c(OC)cc(OC)cc1OC
CCCN(CC1CC1)c1nc(C)nc(C(=O)c2ccccc2C)c1C
CCCN(CC1CC1)c1cc(nc(C)n1)C(=O)c1c(C)cc(C)cc1C
CCCN(CC1CC1)c1cc(nc(C)n1)C(O)c1c(C)cc(C)cc1C
CCCN(CC1CC1)c1cc(nc(C)n1)C(O)c1c(CC)cc(CC)cc1CC
CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)c(C)c(C)c(C)c2C)c1C
COCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(4.45,7.06,;3.52,5.82,;4.09,4.4,;3.16,3.18,;3.74,1.75,;5.27,1.54,;5.87,.12,;7.39,-.08,;7.98,-1.5,;2.81,.53,;3.39,-.9,;2.46,-2.1,;3.04,-3.53,;.94,-1.9,;.35,-.49,;-1.1,.02,;-1.07,1.57,;-2.28,2.5,;.42,1.99,;1.29,.72,;-2.5,-.65,;-2.5,-2.21,;-3.83,-2.97,;-5.17,-2.21,;-5.17,-.65,;-3.83,.12,;-3.85,1.65,;-6.52,-2.97,;-7.73,-3.67,;-8.02,-2.39,;-6.77,-4.56,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(N)cc1C |(6.99,-.28,;5.47,-.05,;4.89,1.35,;3.35,1.56,;2.76,2.98,;3.7,4.2,;3.11,5.64,;2.41,.33,;3,-1.08,;2.06,-2.31,;2.65,-3.74,;.55,-2.1,;-.04,-.68,;-1.49,-.17,;-1.45,1.37,;-2.65,2.3,;.03,1.8,;.9,.53,;-2.89,-.84,;-2.89,-2.39,;-4.22,-3.18,;-5.55,-2.39,;-6.88,-3.18,;-5.55,-.85,;-4.22,-.05,;-4.23,1.46,)|
CCCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(8.11,-1.27,;7.55,.16,;6.01,.37,;5.42,1.79,;3.89,1.99,;3.3,3.4,;4.24,4.64,;3.65,6.07,;2.95,.76,;3.54,-.66,;2.6,-1.88,;3.18,-3.3,;1.07,-1.67,;.5,-.24,;-.95,.25,;-.93,1.8,;-2.14,2.73,;.57,2.23,;1.45,.95,;-2.35,-.4,;-2.35,-1.97,;-3.68,-2.74,;-5.01,-1.97,;-5.01,-.43,;-3.68,.37,;-3.71,1.91,;-6.35,-2.74,;-7.58,-3.43,;-7.86,-2.16,;-6.63,-4.33,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1C)N1CCCCC1 |(4.49,6.29,;5.09,4.87,;4.15,3.64,;4.74,2.22,;6.26,2,;6.86,.58,;8.39,.37,;3.79,.98,;4.38,-.43,;3.44,-1.65,;4.03,-3.07,;1.92,-1.45,;1.34,-.03,;-.12,.49,;-.09,2.03,;-1.3,2.96,;1.4,2.46,;2.28,1.19,;-1.51,-.17,;-1.51,-1.74,;-2.85,-2.5,;-4.19,-1.74,;-4.19,-.17,;-2.85,.58,;-2.87,2.12,;-5.54,-2.5,;-6.87,-1.74,;-8.19,-2.5,;-8.19,-4.06,;-6.87,-4.83,;-5.54,-4.06,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(C)cc1N(C)C |(3.37,5.45,;3.96,4.02,;3.02,2.8,;3.61,1.37,;5.15,1.17,;5.74,-.26,;7.26,-.47,;2.67,.14,;3.26,-1.27,;2.32,-2.49,;2.91,-3.91,;.8,-2.29,;.22,-.87,;-1.23,-.36,;-1.18,1.18,;-1.23,2.81,;.29,1.61,;1.15,.35,;-2.63,-1.03,;-2.63,-2.58,;-3.97,-3.35,;-5.3,-2.58,;-6.63,-3.35,;-5.3,-1.04,;-3.97,-.26,;-3.97,1.29,;-5.3,2.05,;-2.63,2.06,)|
CCCN(Cc1ccccc1)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(3.1,6.22,;3.69,4.78,;2.76,3.59,;3.34,2.16,;4.88,1.95,;5.46,.53,;4.51,-.68,;5.11,-2.12,;6.63,-2.32,;7.57,-1.08,;6.98,.34,;2.41,.93,;2.99,-.47,;2.05,-1.69,;2.64,-3.11,;.54,-1.5,;-.04,-.08,;-1.49,.44,;-1.46,1.98,;-2.66,2.91,;.03,2.4,;.89,1.12,;-2.89,-.26,;-2.89,-1.78,;-4.22,-2.55,;-5.55,-1.78,;-5.55,-.26,;-4.22,.53,;-4.22,2.05,;-6.88,-2.55,;-8.11,-3.25,;-8.4,-1.99,;-7.14,-4.14,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(Cl)cc1Cl |(7,-.29,;5.48,-.08,;4.89,1.35,;3.35,1.56,;2.77,2.98,;3.7,4.2,;3.12,5.63,;2.42,.33,;3,-1.08,;2.07,-2.3,;2.65,-3.73,;.55,-2.1,;-.04,-.69,;-1.49,-.17,;-1.45,1.37,;-2.66,2.31,;.03,1.8,;.9,.53,;-2.89,-.85,;-2.89,-2.39,;-4.22,-3.16,;-5.56,-2.39,;-6.89,-3.16,;-5.56,-.85,;-4.22,-.08,;-4.23,1.47,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(C)cc1[N+]([O-])=O |(3.43,5.5,;4.02,4.08,;3.08,2.84,;3.67,1.42,;5.19,1.23,;5.79,-.19,;7.32,-.4,;2.73,.2,;3.32,-1.22,;2.38,-2.43,;2.97,-3.84,;.86,-2.23,;.28,-.8,;-1.17,-.29,;-1.14,1.24,;-2.68,1.25,;.35,1.67,;1.22,.39,;-2.56,-.97,;-2.56,-2.53,;-3.9,-3.29,;-5.23,-2.53,;-6.58,-3.29,;-5.23,-.98,;-3.9,-.19,;-3.91,1.35,;-2.58,2.12,;-5.25,2.09,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1C)N=O |(7.32,-.19,;5.78,.02,;5.19,1.44,;3.66,1.65,;3.07,3.08,;4.01,4.29,;3.42,5.71,;2.72,.41,;3.3,-.99,;2.37,-2.21,;2.95,-3.63,;.85,-2.02,;.27,-.59,;-1.18,-.08,;-1.15,1.47,;-2.36,2.4,;.34,1.89,;1.22,.62,;-2.59,-.76,;-2.59,-2.3,;-3.92,-3.07,;-5.25,-2.3,;-5.25,-.76,;-3.92,.02,;-3.93,1.56,;-6.59,-3.07,;-7.94,-2.3,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1C)N(CC)CC |(4.17,6.07,;4.75,4.64,;3.82,3.43,;4.4,2,;5.93,1.79,;6.53,.37,;8.06,.16,;3.47,.77,;4.05,-.64,;3.11,-1.85,;3.7,-3.28,;1.6,-1.66,;1.01,-.24,;-.44,.27,;-.41,1.81,;-1.61,2.75,;1.08,2.24,;1.96,.97,;-1.84,-.4,;-1.84,-1.95,;-3.17,-2.72,;-4.5,-1.95,;-4.5,-.4,;-3.17,.37,;-3.18,1.91,;-5.84,-2.72,;-5.84,-4.26,;-7.19,-5.03,;-7.19,-1.95,;-7.16,-.4,)|
CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ncc(Cl)cc1Cl |(2.94,5.74,;3.53,4.31,;2.59,3.09,;3.18,1.66,;4.73,1.43,;5.31,,;5.1,-1.51,;6.53,-.94,;2.24,.41,;2.82,-1.01,;1.89,-2.21,;2.47,-3.65,;.36,-2.03,;-.23,-.59,;-1.68,-.08,;-1.63,1.47,;-2.86,2.41,;-.16,1.89,;.71,.61,;-3.09,-.76,;-3.09,-2.32,;-4.43,-3.08,;-5.77,-2.32,;-7.1,-3.08,;-5.77,-.76,;-4.43,,;-4.43,1.55,)|
CCCCN(CCCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(2.04,6.07,;3.58,5.86,;4.17,4.43,;3.23,3.22,;3.82,1.79,;5.35,1.58,;5.94,.16,;7.46,-.05,;8.07,-1.48,;2.88,.58,;3.47,-.85,;2.53,-2.06,;3.12,-3.49,;1.01,-1.88,;.43,-.45,;-1.02,.06,;-.97,1.6,;-2.2,2.54,;.5,2.02,;1.36,.76,;-2.42,-.62,;-2.42,-2.16,;-3.75,-2.93,;-5.09,-2.16,;-5.09,-.62,;-3.75,.16,;-3.76,1.7,;-6.42,-2.93,;-7.63,-3.63,;-7.94,-2.37,;-6.68,-4.52,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(C)cc1OC |(7.2,-.36,;5.68,-.15,;5.09,1.28,;3.56,1.46,;2.97,2.89,;3.91,4.13,;3.32,5.55,;2.62,.25,;3.21,-1.18,;2.27,-2.39,;2.86,-3.82,;.76,-2.18,;.17,-.76,;-1.28,-.26,;-1.24,1.28,;-2.45,2.21,;.24,1.72,;1.11,.46,;-2.68,-.92,;-2.68,-2.48,;-4.01,-3.25,;-5.34,-2.48,;-6.68,-3.25,;-5.34,-.94,;-4.01,-.15,;-4.02,1.39,;-5.35,2.14,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(O)cc1C |(7.01,-.28,;5.47,-.08,;4.89,1.35,;3.36,1.56,;2.76,2.98,;3.7,4.2,;3.11,5.62,;2.41,.33,;3,-1.08,;2.06,-2.3,;2.65,-3.72,;.55,-2.1,;-.04,-.69,;-1.49,-.17,;-1.44,1.37,;-2.66,2.3,;.03,1.8,;.91,.53,;-2.87,-.85,;-2.87,-2.39,;-4.22,-3.16,;-5.55,-2.39,;-6.95,-3.28,;-5.55,-.85,;-4.22,-.08,;-4.22,1.46,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(Cl)cc1C |(7.01,-.29,;5.48,-.08,;4.89,1.35,;3.37,1.56,;2.77,2.98,;3.7,4.2,;3.12,5.61,;2.42,.33,;3,-1.08,;2.07,-2.3,;2.65,-3.73,;.55,-2.1,;-.04,-.69,;-1.49,-.17,;-1.47,1.37,;-2.67,2.31,;.03,1.8,;.9,.53,;-2.89,-.85,;-2.89,-2.39,;-4.22,-3.16,;-5.56,-2.39,;-6.9,-3.16,;-5.56,-.85,;-4.22,-.08,;-4.23,1.47,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(NC)cc1C |(7.31,-.17,;5.78,.02,;5.19,1.44,;3.67,1.64,;3.07,3.08,;4,4.29,;3.42,5.72,;2.72,.42,;3.3,-1,;2.37,-2.22,;2.95,-3.64,;.85,-2.01,;.26,-.59,;-1.18,-.09,;-1.14,1.45,;-2.35,2.38,;.33,1.89,;1.21,.62,;-2.57,-.76,;-2.57,-2.31,;-3.92,-3.08,;-5.25,-2.31,;-6.58,-3.08,;-7.91,-2.31,;-5.25,-.76,;-3.92,.02,;-3.92,1.56,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(3.94,6,;4.52,4.6,;3.59,3.37,;4.17,1.96,;5.71,1.73,;6.3,.3,;7.82,.11,;3.23,.72,;3.82,-.7,;2.88,-1.92,;3.47,-3.34,;1.36,-1.71,;.78,-.29,;-.67,.21,;-.63,1.77,;-1.85,2.7,;.85,2.19,;1.71,.91,;-2.07,-.47,;-2.07,-2.01,;-3.41,-2.78,;-4.74,-2.01,;-4.74,-.47,;-3.41,.3,;-3.41,1.85,;-6.08,-2.78,;-7.3,-3.47,;-7.59,-2.21,;-6.34,-4.37,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1C)[N+]([O-])=O |(7.55,-.03,;6.02,.19,;5.44,1.62,;3.89,1.8,;3.31,3.23,;4.24,4.46,;3.66,5.89,;2.96,.58,;3.54,-.84,;2.61,-2.06,;3.19,-3.47,;1.08,-1.86,;.5,-.43,;-.95,.09,;-.91,1.62,;-2.12,2.55,;.57,2.06,;1.44,.77,;-2.36,-.59,;-2.36,-2.15,;-3.69,-2.91,;-5.03,-2.15,;-5.03,-.59,;-3.69,.19,;-3.69,1.72,;-6.36,-2.91,;-7.72,-2.15,;-6.36,-4.47,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(I)cc1C |(7,-.26,;5.47,-.08,;4.88,1.35,;3.36,1.56,;2.76,2.98,;3.69,4.19,;3.11,5.6,;2.41,.34,;2.99,-1.08,;2.06,-2.29,;2.64,-3.73,;.54,-2.08,;-.04,-.68,;-1.49,-.17,;-1.46,1.37,;-2.66,2.3,;.03,1.81,;.89,.53,;-2.89,-.85,;-2.89,-2.39,;-4.22,-3.17,;-5.55,-2.39,;-6.88,-3.17,;-5.55,-.85,;-4.22,-.08,;-4.22,1.46,)|
CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(3.73,6.08,;4.32,4.66,;3.39,3.42,;3.97,2,;5.49,1.81,;6.09,.37,;7.31,-.56,;5.89,-1.15,;3.04,.79,;3.62,-.64,;2.68,-1.85,;3.27,-3.27,;1.15,-1.64,;.59,-.22,;-.86,.27,;-.83,1.81,;-2.05,2.75,;.66,2.24,;1.52,.97,;-2.26,-.38,;-2.26,-1.94,;-3.59,-2.71,;-4.92,-1.94,;-4.92,-.4,;-3.59,.37,;-3.61,1.93,;-6.27,-2.71,;-7.48,-3.41,;-7.77,-2.13,;-6.53,-4.3,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cn1
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1C)N(C)C |(3.65,5.88,;4.24,4.45,;3.3,3.22,;3.9,1.8,;5.42,1.61,;6.01,.19,;7.55,-.03,;2.95,.58,;3.54,-.84,;2.6,-2.06,;3.18,-3.47,;1.08,-1.85,;.5,-.43,;-.95,.09,;-.91,1.61,;-2.13,2.55,;.57,2.06,;1.45,.77,;-2.34,-.59,;-2.34,-2.15,;-3.68,-2.9,;-5.01,-2.15,;-5.01,-.59,;-3.68,.19,;-3.69,1.72,;-6.35,-2.9,;-7.69,-2.15,;-6.35,-4.46,)|
COCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ncc(Cl)cc1Cl |(7.25,-1.85,;6.68,-.43,;5.15,-.22,;4.56,1.21,;3.02,1.4,;2.44,2.83,;3.37,4.06,;2.79,5.48,;1.26,5.69,;2.09,.18,;2.67,-1.24,;1.74,-2.45,;2.32,-3.88,;.22,-2.25,;-.37,-.83,;-1.81,-.33,;-1.79,1.21,;-2.99,2.15,;-.3,1.65,;.58,.37,;-3.22,-.99,;-3.22,-2.55,;-4.55,-3.32,;-5.88,-2.55,;-7.22,-3.32,;-5.88,-1,;-4.55,-.22,;-4.57,1.32,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(C)cc1N=O |(3.33,5.54,;3.92,4.14,;2.98,2.89,;3.57,1.47,;5.09,1.28,;5.7,-.16,;7.22,-.36,;2.63,.25,;3.21,-1.18,;2.28,-2.4,;2.86,-3.82,;.76,-2.18,;.17,-.77,;-1.28,-.26,;-1.26,1.28,;-2.47,2.22,;.24,1.72,;1.11,.46,;-2.68,-.94,;-2.68,-2.49,;-4.02,-3.25,;-5.35,-2.49,;-6.71,-3.25,;-5.35,-.94,;-4.02,-.16,;-4.04,1.4,;-5.38,2.15,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(C)cc1O |(3.11,5.6,;3.69,4.19,;2.76,2.98,;3.36,1.56,;4.88,1.35,;5.47,-.08,;7,-.26,;2.41,.34,;2.99,-1.08,;2.06,-2.29,;2.64,-3.73,;.54,-2.08,;-.04,-.68,;-1.49,-.17,;-1.46,1.37,;-2.66,2.3,;.03,1.81,;.89,.53,;-2.89,-.85,;-2.89,-2.39,;-4.22,-3.17,;-5.55,-2.39,;-6.88,-3.17,;-5.55,-.85,;-4.22,-.08,;-4.22,1.46,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(C)cc1NC |(7.16,-.38,;5.64,-.17,;5.05,1.24,;3.51,1.44,;2.93,2.87,;3.86,4.1,;3.28,5.53,;2.58,.23,;3.16,-1.2,;2.23,-2.41,;2.81,-3.84,;.71,-2.2,;.12,-.78,;-1.32,-.29,;-1.28,1.25,;-1.33,2.89,;.19,1.68,;1.06,.44,;-2.73,-.94,;-2.73,-2.51,;-4.06,-3.28,;-5.39,-2.51,;-6.73,-3.28,;-5.39,-.97,;-4.06,-.17,;-4.06,1.37,;-5.39,2.12,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(C)cc1N |(3.07,5.6,;3.65,4.17,;2.72,2.94,;3.3,1.52,;4.84,1.32,;5.43,-.1,;6.95,-.31,;2.37,.3,;2.95,-1.12,;2.02,-2.34,;2.6,-3.76,;.5,-2.13,;-.09,-.71,;-1.53,-.21,;-1.49,1.33,;-1.53,2.96,;-.02,1.77,;.85,.51,;-2.94,-.87,;-2.94,-2.43,;-4.27,-3.2,;-5.6,-2.43,;-6.93,-3.2,;-5.6,-.89,;-4.27,-.1,;-4.27,1.44,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(OC)cc1C |(7.26,-.1,;5.74,.09,;5.13,1.52,;3.63,1.72,;3.03,3.15,;3.96,4.39,;3.38,5.8,;2.68,.51,;3.26,-.92,;2.33,-2.13,;2.91,-3.56,;.8,-1.93,;.22,-.52,;-1.23,,;-1.21,1.54,;-2.43,2.47,;.29,1.99,;1.15,.72,;-2.62,-.66,;-2.62,-2.23,;-3.97,-3,;-5.31,-2.23,;-6.66,-3,;-6.66,-4.55,;-5.31,-.66,;-3.97,.09,;-3.98,1.65,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(F)cc1C |(7.01,-.29,;5.47,-.08,;4.89,1.35,;3.36,1.56,;2.76,2.98,;3.7,4.2,;3.11,5.61,;2.41,.33,;3,-1.08,;2.06,-2.3,;2.65,-3.72,;.55,-2.1,;-.04,-.69,;-1.49,-.17,;-1.44,1.37,;-2.66,2.3,;.03,1.8,;.91,.53,;-2.87,-.85,;-2.87,-2.39,;-4.22,-3.16,;-5.55,-2.39,;-6.88,-3.16,;-5.55,-.85,;-4.22,-.08,;-4.22,1.46,)|
CCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ncc(Cl)cc1Cl |(2.83,5.69,;3.42,4.27,;2.48,3.03,;3.07,1.61,;4.6,1.42,;5.19,-.01,;6.71,-.22,;7.32,-1.64,;2.13,.39,;2.72,-1.03,;1.78,-2.24,;2.37,-3.67,;.26,-2.04,;-.32,-.62,;-1.77,-.12,;-1.72,1.43,;-2.94,2.36,;-.25,1.86,;.62,.58,;-3.17,-.78,;-3.17,-2.34,;-4.5,-3.11,;-5.83,-2.34,;-7.17,-3.11,;-5.83,-.79,;-4.5,-.01,;-4.51,1.53,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncccc1C |(6.73,-.41,;5.2,-.21,;4.61,1.22,;3.09,1.43,;2.49,2.85,;3.42,4.07,;2.84,5.49,;2.14,.2,;2.72,-1.22,;1.78,-2.43,;2.37,-3.84,;.27,-2.23,;-.32,-.82,;-1.77,-.29,;-1.72,1.24,;-2.94,2.17,;-.25,1.68,;.63,.4,;-3.15,-.98,;-3.15,-2.53,;-4.5,-3.28,;-5.84,-2.53,;-5.84,-.98,;-4.5,-.21,;-4.5,1.33,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(C)cc1Cl |(3.11,5.6,;3.69,4.19,;2.76,2.98,;3.36,1.56,;4.88,1.35,;5.47,-.08,;7,-.26,;2.41,.34,;2.99,-1.08,;2.06,-2.29,;2.64,-3.73,;.54,-2.08,;-.04,-.68,;-1.49,-.17,;-1.46,1.37,;-2.66,2.3,;.03,1.81,;.89,.53,;-2.89,-.85,;-2.89,-2.39,;-4.22,-3.17,;-5.55,-2.39,;-6.88,-3.17,;-5.55,-.85,;-4.22,-.08,;-4.22,1.46,)|
CCc1nc2N(CN(C)C(=O)c2n1C(C)C1CCC1)c1ccc(Cl)cc1Cl
CCCC(CCC)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(cc1Cl)C(C)C
CCCC(CCC)n1c(CC)nc2N(C(CC)N(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCCC(C1CC1)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCC(C(C)C)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCC(CC)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCc1nc2N(CN(C)C(=O)c2n1Cc1ccccc1C)c1ccc(Cl)cc1Cl
CCCC(C)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCCC(CCC)n1c(CC)nc2N(C(C)N(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCC(C1CC1)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(OC)cc1Cl
CCCC(CCC)n1cnc2N(CN(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCc1nc2N(CN(C)C(=O)c2n1Cc1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1Cl
CCCC(CCC)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCCC(CCC)n1c(CC)nc2N(CN(C)C(=O)c12)c1c(C)cc(C)cc1C
CCCC(COC)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCc1nc2N(CN(C)C(=O)c2n1Cc1ccc(OC)cc1)c1ccc(Cl)cc1Cl
CCC(CC)n1c(CC)nc2n(-c3ccc(Cl)cc3Cl)c(=O)n(C)c(=O)c12 |(-1.38,5.87,;-.9,4.4,;-1.93,3.26,;-3.44,3.58,;-3.91,5.05,;-1.46,1.79,;-2.37,.55,;-3.91,.55,;-4.68,1.88,;-1.46,-.7,;,-.22,;1.34,-1,;1.34,-2.52,;2.66,-3.29,;2.66,-4.81,;1.34,-5.6,;1.34,-7.14,;,-4.83,;,-3.29,;-1.33,-2.52,;2.66,-.22,;3.99,-1,;2.66,1.32,;3.99,2.1,;1.34,2.09,;1.31,3.63,;,1.31,)|
CCc1nc2N(CN(C)C(=O)c2n1Cc1cccc2ccccc12)c1ccc(Cl)cc1Cl
CCCC(CCC)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(OC)cc1Cc1cccnc1
CCC(CC)n1c(CC)nc(Nc2ccc(Cl)cc2Cl)c1C(N)=O
CCCC(CCC)n1c(CC)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c(=O)c12 |(-5.37,5.03,;-3.85,4.71,;-3.38,3.26,;-1.88,2.93,;-.84,4.08,;-1.32,5.53,;-.28,6.69,;-1.4,1.46,;-2.33,.21,;-3.85,.23,;-4.62,1.56,;-1.4,-1.03,;.05,-.56,;1.38,-1.33,;1.38,-2.87,;2.71,-3.62,;4.06,-2.85,;2.71,-5.16,;1.38,-5.95,;1.4,-7.47,;.05,-5.16,;.05,-3.62,;-1.28,-2.85,;2.71,-.56,;4.06,-1.33,;2.71,1,;4.06,1.77,;1.38,1.77,;1.38,3.31,;.05,.98,)|
CCCC(CCC)n1c(CC)nc2n(-c3cc(c(OC)cc3C)-c3cccnc3)c(=O)n(C)c(=O)c12 |(-6.16,6.3,;-4.64,5.99,;-4.18,4.52,;-2.66,4.2,;-1.63,5.34,;-2.1,6.81,;-1.07,7.94,;-2.19,2.73,;-3.1,1.49,;-4.64,1.49,;-5.41,2.82,;-2.19,.23,;-.74,.72,;.59,-.05,;.59,-1.59,;1.94,-2.36,;1.94,-3.9,;.59,-4.67,;.61,-6.21,;-.74,-6.98,;-.74,-3.9,;-.74,-2.36,;-2.05,-1.59,;3.27,-4.65,;3.27,-6.21,;4.62,-6.96,;5.93,-6.19,;5.93,-4.64,;4.6,-3.88,;1.94,.72,;3.27,-.05,;1.94,2.26,;3.27,3.03,;.59,3.03,;.59,4.59,;-.74,2.26,)|
CCC(C1CC1)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCCC(CCC)n1c(CC)nc2n(-c3ccc(Cl)cc3Cl)c(=O)n(C)c(=O)c12 |(-.14,6.58,;-1.18,5.43,;-.7,3.98,;-1.74,2.83,;-3.25,3.14,;-3.7,4.6,;-5.22,4.93,;-1.26,1.37,;-2.17,.12,;-3.7,.13,;-4.47,1.46,;-1.26,-1.13,;.19,-.66,;1.52,-1.42,;1.52,-2.96,;2.87,-3.71,;2.87,-5.25,;1.52,-6.03,;1.54,-7.57,;.19,-5.25,;.19,-3.71,;-1.13,-2.94,;2.87,-.66,;4.19,-1.42,;2.87,.9,;4.19,1.67,;1.52,1.67,;1.51,3.21,;.19,.89,)|
CCc1nc2N(CN(C)C(=O)c2n1C(C)C1CC1)c1ccc(Cl)cc1Cl
CCc1nc2N(CN(C)C(=O)c2n1C(C1CC1)C1CC1)c1ccc(Cl)cc1Cl
CCC(C(C)C)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(cc1Cl)C(C)C
CCCC(CCC)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(OC)cc1Cl
CCc1nc2N(CN(C)C(=O)c2n1COCc1ccccc1)c1ccc(Cl)cc1Cl
CCCC(CCC)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(Cl)cc1
CCc1nc2N(CN(C)C(=O)c2n1Cc1ccccc1C)c1ccc(OC)cc1Cl
CCCCC(CC)n1c(CC)nc2N(CN(C)C(=O)c12)c1ccc(Cl)cc1Cl
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(C)cc1C |(7.42,1.73,;5.91,2.05,;4.89,.9,;3.37,1.21,;2.9,2.66,;3.91,3.81,;3.44,5.28,;2.35,.05,;2.84,-1.41,;1.81,-2.57,;2.29,-4.03,;.3,-2.24,;-.18,-.78,;-1.58,-.15,;-1.44,1.39,;-2.59,2.4,;.08,1.7,;.85,.37,;-2.91,-.94,;-2.91,-2.5,;-4.25,-3.26,;-5.58,-2.5,;-6.93,-3.26,;-5.58,-.94,;-4.25,-.17,;-4.27,1.39,)|
CCN(Cc1ccccc1F)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.85,1.49,;4.82,.34,;3.32,.67,;2.84,2.12,;3.85,3.28,;5.36,2.95,;6.38,4.12,;5.9,5.56,;4.38,5.87,;3.36,4.73,;1.86,5.05,;2.29,-.49,;2.77,-1.93,;1.75,-3.08,;2.24,-4.54,;.26,-2.77,;-.23,-1.31,;-1.63,-.71,;-1.48,.84,;-2.63,1.86,;.02,1.16,;.79,-.17,;-2.96,-1.47,;-2.96,-3.01,;-4.29,-3.8,;-5.62,-3.01,;-5.62,-1.49,;-4.29,-.71,;-4.3,.84,;-6.96,-3.8,;-6.96,-5.32,;-8.29,-3.01,)|
CCCN(CCC)c1cc(C)nc2c(cnn12)-c1c(C)cc(nc1C)N(C)C |(3.92,5.72,;4.4,4.25,;3.38,3.12,;3.87,1.65,;5.38,1.35,;6.4,2.49,;7.89,2.19,;2.84,.51,;3.33,-.94,;2.31,-2.1,;2.79,-3.55,;.82,-1.77,;.33,-.33,;-1.07,.3,;-.93,1.84,;.59,2.16,;1.35,.82,;-2.39,-.47,;-3.73,.29,;-3.75,1.84,;-5.07,-.47,;-5.07,-2.03,;-3.73,-2.79,;-2.39,-2.03,;-1.07,-2.79,;-6.4,-2.79,;-7.75,-2.03,;-6.4,-4.33,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(nc1)N(C)C
CCCN(CCC)c1c(F)c(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(3.8,5.58,;4.27,4.12,;3.26,2.97,;3.74,1.51,;5.25,1.2,;6.27,2.35,;7.77,2.04,;2.71,.36,;3.2,-1.1,;4.71,-1.41,;2.17,-2.24,;2.66,-3.7,;.68,-1.92,;.19,-.47,;-1.2,.16,;-1.06,1.69,;-2.21,2.7,;.45,2,;1.22,.67,;-2.53,-.63,;-2.53,-2.17,;-3.87,-2.94,;-5.2,-2.17,;-5.2,-.63,;-3.87,.14,;-3.88,1.69,;-6.54,-2.94,;-6.54,-4.48,;-7.87,-2.17,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(nc1C)N(C)C |(3.88,5.71,;4.35,4.24,;3.34,3.1,;3.81,1.63,;5.33,1.32,;6.35,2.47,;7.85,2.16,;2.78,.48,;3.27,-.98,;2.25,-2.13,;2.73,-3.59,;.75,-1.8,;.26,-.36,;-1.14,.27,;-1,1.81,;-2.14,2.82,;.52,2.12,;1.29,.79,;-2.47,-.52,;-3.8,.26,;-5.13,-.52,;-5.13,-2.06,;-3.8,-2.83,;-2.47,-2.06,;-1.14,-2.83,;-6.48,-2.83,;-6.48,-4.37,;-7.81,-2.06,)|
CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(6.49,3.73,;4.99,4.06,;3.97,2.89,;2.46,3.21,;1.97,4.67,;4.44,1.42,;3.43,.28,;3.9,-1.17,;2.88,-2.32,;3.37,-3.78,;1.38,-2.01,;.89,-.56,;-.51,.07,;-.35,1.61,;-1.51,2.61,;1.15,1.94,;1.92,.6,;-1.84,-.71,;-1.84,-2.25,;-3.17,-3.02,;-4.5,-2.25,;-4.5,-.71,;-3.17,.07,;-3.17,1.61,;-5.83,-3.02,;-7.18,-2.25,;-5.83,-4.56,)|
CC(C)N(Cc1ccccc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.75,1.7,;4.72,.54,;5.21,-.92,;3.22,.86,;2.74,2.33,;3.74,3.47,;3.27,4.94,;4.28,6.07,;5.79,5.76,;6.28,4.29,;5.26,3.15,;2.19,-.29,;2.67,-1.75,;1.64,-2.9,;2.13,-4.36,;.15,-2.57,;-.34,-1.13,;-1.74,-.51,;-1.59,1.03,;-2.75,2.05,;-.09,1.35,;.68,.02,;-3.07,-1.27,;-3.07,-2.83,;-4.4,-3.6,;-5.73,-2.83,;-5.73,-1.29,;-4.4,-.51,;-4.41,1.03,;-7.07,-3.6,;-8.4,-2.83,;-7.07,-5.14,)|
CC(C)C(C)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(6.4,3.7,;4.9,4.03,;4.42,5.48,;3.88,2.86,;2.37,3.17,;4.36,1.4,;3.34,.25,;3.81,-1.2,;2.79,-2.36,;3.28,-3.81,;1.29,-2.04,;.8,-.58,;-.6,.04,;-.44,1.58,;-1.6,2.59,;1.06,1.91,;1.83,.56,;-1.93,-.73,;-1.93,-2.29,;-3.26,-3.06,;-4.59,-2.29,;-4.59,-.75,;-3.26,.04,;-3.27,1.58,;-5.93,-3.06,;-5.93,-4.6,;-7.27,-2.29,)|
CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(3.74,5.38,;4.2,3.92,;3.2,2.77,;3.69,1.31,;5.18,.99,;6.21,2.14,;6.51,3.65,;7.67,2.61,;2.66,.16,;3.13,-1.31,;2.11,-2.46,;2.6,-3.92,;.61,-2.13,;.12,-.68,;-1.27,-.05,;-1.12,1.46,;-2.28,2.49,;.38,1.8,;1.15,.47,;-2.6,-.84,;-2.6,-2.39,;-3.93,-3.15,;-5.26,-2.39,;-5.26,-.84,;-3.93,-.05,;-3.94,1.46,;-6.6,-3.15,;-7.93,-2.39,;-6.6,-4.69,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(C)nc1
CCCCN(Cc1ccccc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(6.96,-2.52,;6.47,-1.06,;4.96,-.75,;4.48,.72,;2.97,1.03,;2.48,2.49,;3.51,3.66,;5.02,3.33,;6.03,4.47,;5.55,5.92,;4.04,6.25,;3.02,5.09,;1.95,-.12,;2.43,-1.59,;1.4,-2.73,;1.88,-4.2,;-.11,-2.41,;-.58,-.96,;-1.98,-.33,;-1.84,1.19,;-2.99,2.22,;-.33,1.52,;.44,.19,;-3.33,-1.12,;-3.33,-2.66,;-4.66,-3.43,;-5.99,-2.66,;-5.99,-1.12,;-4.66,-.35,;-4.66,1.19,;-7.32,-3.43,;-8.65,-2.66,;-7.32,-4.97,)|
CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.11,6.53,;4.07,5.37,;4.56,3.91,;3.55,2.75,;4.02,1.3,;5.51,.97,;6.56,2.14,;2.99,.14,;3.46,-1.31,;2.45,-2.46,;2.94,-3.93,;.96,-2.15,;.45,-.68,;-.93,-.05,;-.79,1.46,;-1.95,2.49,;.71,1.79,;1.49,.46,;-2.28,-.85,;-2.28,-2.39,;-3.59,-3.16,;-4.94,-2.39,;-4.94,-.85,;-3.59,-.08,;-3.61,1.46,;-6.27,-3.16,;-6.27,-4.7,;-7.6,-2.39,)|
CCCN(CCC)c1c(Br)c(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(3.8,5.58,;4.27,4.12,;3.26,2.97,;3.74,1.51,;5.25,1.2,;6.27,2.35,;7.77,2.04,;2.71,.36,;3.2,-1.1,;4.71,-1.41,;2.17,-2.24,;2.66,-3.7,;.68,-1.92,;.19,-.47,;-1.2,.16,;-1.06,1.69,;-2.21,2.7,;.45,2,;1.22,.67,;-2.53,-.63,;-2.53,-2.17,;-3.87,-2.94,;-5.2,-2.17,;-5.2,-.63,;-3.87,.14,;-3.88,1.69,;-6.54,-2.94,;-6.54,-4.48,;-7.87,-2.17,)|
CCCN(Cc1ccccc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(6.68,-1.14,;5.18,-.82,;4.68,.63,;3.18,.95,;2.71,2.4,;3.73,3.56,;3.23,5.02,;4.25,6.16,;5.76,5.87,;6.25,4.39,;5.23,3.24,;2.15,-.21,;2.64,-1.66,;1.61,-2.81,;2.1,-4.27,;.12,-2.5,;-.37,-1.03,;-1.77,-.4,;-1.63,1.12,;-2.78,2.14,;-.12,1.45,;.65,.11,;-3.1,-1.19,;-3.1,-2.74,;-4.43,-3.51,;-5.76,-2.74,;-5.76,-1.2,;-4.43,-.4,;-4.45,1.12,;-7.09,-3.51,;-8.44,-2.74,;-7.09,-5.05,)|
CCCN(CCC)c1c(Cl)c(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(3.8,5.58,;4.27,4.12,;3.26,2.97,;3.74,1.51,;5.25,1.2,;6.27,2.35,;7.77,2.04,;2.71,.36,;3.2,-1.1,;4.71,-1.41,;2.17,-2.24,;2.66,-3.7,;.68,-1.92,;.19,-.47,;-1.2,.16,;-1.06,1.69,;-2.21,2.7,;.45,2,;1.22,.67,;-2.53,-.63,;-2.53,-2.17,;-3.87,-2.94,;-5.2,-2.17,;-5.2,-.63,;-3.87,.14,;-3.88,1.69,;-6.54,-2.94,;-6.54,-4.48,;-7.87,-2.17,)|
CCC(COC)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(1.7,4.5,;2.19,3.03,;3.69,2.72,;4.72,3.89,;6.23,3.56,;7.24,4.71,;4.18,1.25,;3.16,.11,;3.62,-1.34,;2.61,-2.5,;3.09,-3.95,;1.12,-2.18,;.63,-.73,;-.79,-.1,;-.62,1.44,;-1.79,2.44,;.89,1.77,;1.64,.41,;-2.1,-.87,;-2.1,-2.43,;-3.45,-3.2,;-4.78,-2.43,;-4.78,-.89,;-3.45,-.1,;-3.45,1.44,;-6.11,-3.2,;-7.44,-2.43,;-6.11,-4.74,)|
CCN(Cc1ccc(Cl)c(Cl)c1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.58,1.23,;4.56,.09,;3.06,.39,;2.57,1.84,;3.59,3,;5.09,2.7,;6.12,3.84,;5.63,5.31,;6.66,6.46,;4.11,5.6,;3.62,7.06,;3.1,4.47,;2.03,-.77,;2.5,-2.2,;1.48,-3.37,;1.97,-4.81,;-.02,-3.06,;-.51,-1.59,;-1.91,-.96,;-1.75,.56,;-2.91,1.58,;-.25,.9,;.52,-.45,;-3.24,-1.75,;-3.24,-3.3,;-4.57,-4.07,;-5.9,-3.3,;-5.9,-1.76,;-4.57,-.96,;-4.57,.56,;-7.23,-4.07,;-8.58,-3.3,;-7.23,-5.61,)|
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(4,5.65,;4.49,4.17,;3.47,3.03,;3.96,1.57,;5.47,1.26,;6.5,2.4,;8,2.09,;2.92,.41,;3.41,-1.04,;2.39,-2.2,;2.87,-3.65,;.89,-1.87,;.41,-.41,;-1,.2,;-.86,1.75,;-2.01,2.76,;.66,2.06,;1.43,.72,;-2.33,-.58,;-3.68,.19,;-3.69,1.75,;-5.02,-.58,;-5.02,-2.13,;-3.68,-2.91,;-2.33,-2.13,;-1,-2.91,;-6.36,-2.91,;-7.68,-2.13,;-6.36,-4.45,)|
CCCN(c1ccccc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(7.25,-.89,;5.74,-.59,;5.25,.88,;3.76,1.18,;3.27,2.65,;4.29,3.79,;3.81,5.24,;2.31,5.56,;1.29,4.4,;1.76,2.95,;2.73,.04,;3.2,-1.42,;2.17,-2.57,;2.66,-4.03,;.68,-2.24,;.19,-.8,;-1.2,-.17,;-1.04,1.35,;-2.21,2.37,;.45,1.68,;1.22,.34,;-2.53,-.96,;-2.53,-2.5,;-3.86,-3.27,;-5.19,-2.5,;-5.19,-.96,;-3.86,-.17,;-3.86,1.35,;-6.52,-3.27,;-6.52,-4.81,;-7.84,-2.5,)|
CCN(Cc1ccccc1C)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.86,1.5,;4.84,.34,;3.33,.67,;2.85,2.13,;3.86,3.29,;5.37,2.96,;6.4,4.13,;5.91,5.58,;4.39,5.89,;3.37,4.74,;1.87,5.06,;2.3,-.49,;2.78,-1.94,;1.75,-3.09,;2.24,-4.56,;.26,-2.78,;-.23,-1.32,;-1.64,-.71,;-1.49,.84,;-2.64,1.86,;.02,1.16,;.79,-.17,;-2.97,-1.47,;-2.97,-3.02,;-4.3,-3.81,;-5.63,-3.02,;-5.63,-1.5,;-4.3,-.71,;-4.31,.84,;-6.98,-3.81,;-8.31,-3.02,;-6.98,-5.33,)|
CCN(Cc1cccc(C)c1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.79,1.42,;4.77,.27,;3.27,.6,;2.79,2.06,;3.81,3.22,;5.3,2.89,;6.34,4.04,;5.85,5.5,;4.33,5.81,;3.84,7.28,;3.32,4.67,;2.24,-.56,;2.72,-2.02,;1.68,-3.18,;2.18,-4.63,;.19,-2.86,;-.3,-1.4,;-1.7,-.78,;-1.54,.76,;-2.7,1.78,;-.04,1.09,;.73,-.26,;-3.03,-1.55,;-3.03,-3.09,;-4.36,-3.88,;-5.69,-3.09,;-5.69,-1.56,;-4.36,-.78,;-4.38,.76,;-7.03,-3.88,;-7.03,-5.42,;-8.36,-3.09,)|
CC(C)CCC(C)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(8.29,4.19,;6.77,4.5,;6.3,5.97,;5.75,3.35,;4.25,3.68,;3.23,2.51,;1.71,2.82,;3.71,1.05,;2.68,-.1,;3.16,-1.55,;2.13,-2.71,;2.62,-4.16,;.64,-2.39,;.15,-.93,;-1.25,-.31,;-1.1,1.23,;-2.26,2.24,;.4,1.56,;1.17,.2,;-2.58,-1.08,;-2.58,-2.64,;-3.91,-3.41,;-5.24,-2.64,;-5.24,-1.1,;-3.91,-.31,;-3.92,1.23,;-6.58,-3.41,;-6.58,-4.95,;-7.93,-2.64,)|
CCCCN(CCCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(8.52,2.82,;7.49,1.66,;5.98,1.98,;4.95,.83,;3.45,1.14,;2.97,2.59,;3.97,3.75,;3.51,5.2,;4.53,6.39,;2.43,-.02,;2.9,-1.47,;1.87,-2.62,;2.36,-4.08,;.38,-2.31,;-.11,-.85,;-1.51,-.23,;-1.35,1.31,;-2.51,2.33,;.15,1.63,;.92,.3,;-2.84,-1,;-2.84,-2.55,;-4.17,-3.32,;-5.5,-2.55,;-5.5,-1.01,;-4.17,-.23,;-4.18,1.31,;-6.84,-3.32,;-6.84,-4.86,;-8.17,-2.55,)|
CCCN(Cc1cccc(OC)c1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(6.44,-1.62,;4.93,-1.31,;4.45,.16,;2.93,.47,;2.46,1.93,;3.47,3.09,;4.99,2.77,;6.02,3.92,;5.53,5.37,;4.01,5.7,;3.52,7.15,;4.54,8.3,;2.98,4.54,;1.9,-.69,;2.39,-2.15,;1.36,-3.3,;1.86,-4.77,;-.13,-2.98,;-.62,-1.52,;-2.03,-.9,;-1.89,.63,;-3.03,1.66,;-.37,.96,;.41,-.37,;-3.36,-1.68,;-3.36,-3.23,;-4.69,-4,;-6.02,-3.23,;-6.02,-1.68,;-4.69,-.91,;-4.72,.63,;-7.38,-4,;-8.71,-3.23,;-7.38,-5.54,)|
COCC(Cc1ccccc1)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(7.08,3.77,;6.05,2.61,;4.55,2.94,;3.53,1.77,;2.01,2.09,;1.52,3.55,;2.57,4.71,;2.08,6.15,;.57,6.46,;-.46,5.31,;.03,3.89,;4.01,.32,;2.99,-.84,;3.46,-2.29,;2.43,-3.44,;2.92,-4.9,;.94,-3.13,;.45,-1.68,;-.95,-1.05,;-.79,.49,;-1.95,1.49,;.71,.82,;1.48,-.52,;-2.28,-1.83,;-2.28,-3.37,;-3.61,-4.14,;-4.94,-3.37,;-4.94,-1.83,;-3.61,-1.05,;-3.62,.49,;-6.28,-4.14,;-6.28,-5.68,;-7.62,-3.37,)|
CCN(Cc1ccc(C)cc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.7,1.45,;4.67,.3,;3.17,.61,;2.68,2.07,;3.69,3.22,;3.2,4.68,;4.21,5.83,;5.75,5.52,;6.77,6.67,;6.23,4.05,;5.21,2.91,;2.15,-.54,;2.61,-1.99,;1.59,-3.15,;2.08,-4.6,;.1,-2.83,;-.39,-1.38,;-1.8,-.75,;-1.65,.79,;-2.8,1.8,;-.14,1.11,;.63,-.23,;-3.13,-1.52,;-3.13,-3.08,;-4.45,-3.85,;-5.79,-3.08,;-5.79,-1.54,;-4.45,-.75,;-4.46,.79,;-7.13,-3.85,;-8.46,-3.08,;-7.13,-5.39,)|
CCCC(CCC)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(7.26,4.55,;6.23,3.41,;4.72,3.73,;3.7,2.56,;2.18,2.87,;1.69,4.34,;.19,4.67,;4.19,1.09,;3.16,-.05,;3.63,-1.5,;2.6,-2.67,;3.09,-4.12,;1.11,-2.35,;.62,-.9,;-.79,-.27,;-.63,1.28,;-1.79,2.28,;.87,1.61,;1.64,.25,;-2.12,-1.04,;-2.12,-2.6,;-3.45,-3.37,;-4.79,-2.6,;-4.79,-1.06,;-3.45,-.27,;-3.45,1.28,;-6.13,-3.37,;-7.47,-2.6,;-6.13,-4.92,)|
CCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.7,1.45,;4.67,.3,;3.17,.61,;2.68,2.07,;3.69,3.22,;3.2,4.68,;4.21,5.83,;5.75,5.52,;6.77,6.67,;6.23,4.05,;5.21,2.91,;2.15,-.54,;2.61,-1.99,;1.59,-3.15,;2.08,-4.6,;.1,-2.83,;-.39,-1.38,;-1.8,-.75,;-1.65,.79,;-2.8,1.8,;-.14,1.11,;.63,-.23,;-3.13,-1.52,;-3.13,-3.08,;-4.45,-3.85,;-5.79,-3.08,;-5.79,-1.54,;-4.45,-.75,;-4.46,.79,;-7.13,-3.85,;-8.46,-3.08,;-7.13,-5.39,)|
CCCN(Cc1ccc2ccccc2c1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(6.09,-2.02,;4.59,-1.71,;4.1,-.26,;2.6,.06,;2.11,1.54,;3.13,2.68,;4.64,2.36,;5.67,3.52,;5.19,4.98,;6.2,6.14,;5.71,7.58,;4.19,7.89,;3.16,6.75,;3.66,5.3,;2.64,4.15,;1.57,-1.08,;2.04,-2.53,;1.01,-3.7,;1.5,-5.15,;-.49,-3.39,;-.97,-1.93,;-2.38,-1.31,;-2.22,.23,;-3.38,1.25,;-.72,.56,;.05,-.78,;-3.71,-2.08,;-3.71,-3.63,;-5.05,-4.4,;-6.38,-3.63,;-6.38,-2.09,;-5.05,-1.31,;-5.05,.23,;-7.72,-4.4,;-9.06,-3.63,;-7.72,-5.95,)|
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C#N
CCCN(CC1CCC1)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C#N
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)nc1C
CCN(CCCC#N)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1C
COCCN(CCOC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C(C)C
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1cc(F)c(OC)cc1Cl
CCCN(CCOC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C(C)C
CCN(Cc1ccco1)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)C
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)C
CC(C)c1ccc(N2CC(=O)Nc3c(cc(C)nc23)N2CCOCC2)c(Br)c1
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Cl)cc1C#N
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1)C(C)C
CCN(C(C)C)c1cc(C)nc2N(CC(=O)Nc12)c1cc(F)c(OC)cc1Cl
CCC(CC)Nc1cc(C)nc2N(CC(=O)Nc12)c1ccc(Cl)cc1Cl
CCC(CNc1cc(C)nc2N(CC(=O)Nc12)c1ccc(Cl)cc1Cl)OC
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Cl)cc1Cl
CCCN(CCC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C#N
CCN(CCCS(C)(=O)=O)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)C
CCCCNc1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1Cl
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C(C)C
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1c(Cl)cc(cc1Cl)C#N
CCNc1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1Cl
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccccc1Br
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1Cl
CC(C)N(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)C(C)C
CSc1snnc1NCc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
COC[C@@H]1CCCN1Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
CCCN(CC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CC=CC1 |c:24|
FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CNCCc1ccccc1
Fc1cccc(CN(CCC(F)(F)F)Cc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc2C(F)(F)F)c1
FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1Cn1ccnc1
CCCN(CC1CCC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
CCc1nccn1Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
CCCN(CCC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
CCCCN(CC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
FC(F)(F)CN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1
CCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
CCCN(Cc1cccs1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
FC(F)(F)CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(Cl)cc1
FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CCCCC1
FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CCC=CC1 |c:25|
FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CNCC1CC1
CCCN(CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
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CCCCN(CC)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-3.88,3.65,;-4.3,2.16,;-3.21,1.06,;-1.72,1.46,;-.64,.35,;.84,.74,;1.24,2.23,;-1.06,-1.12,;.02,-2.22,;-.23,-3.75,;1.14,-4.47,;2.24,-3.38,;3.77,-3.15,;4.84,-4.24,;6.31,-3.85,;6.72,-2.37,;7.4,-4.94,;6.99,-6.43,;8.06,-7.52,;5.5,-6.82,;4.43,-5.72,;2.94,-6.1,;4.01,-1.64,;5.31,-.8,;5.24,.74,;3.87,1.43,;2.58,.6,;2.65,-.92,;1.54,-2,;-1.62,-4.43,;-2.86,-5.06,;-3.09,-3.78,;-1.97,-6,)|
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CCCN(CCC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-.16,-1.38,;-1.65,-1.77,;-2.05,-3.25,;-3.54,-3.64,;-4.62,-2.54,;-4.21,-1.06,;-5.28,.04,;-5.68,1.53,;-6.78,.46,;-3.95,-5.13,;-2.87,-6.22,;-3.12,-7.75,;-1.75,-8.47,;-.64,-7.37,;.89,-7.16,;1.96,-8.24,;3.43,-7.86,;3.85,-6.37,;4.52,-8.94,;4.11,-10.43,;5.18,-11.52,;2.62,-10.82,;1.55,-9.73,;.05,-10.1,;1.13,-5.63,;2.43,-4.8,;2.36,-3.26,;.99,-2.55,;-.3,-3.39,;-.23,-4.92,;-1.34,-6,;-4.51,-8.44,;-5.76,-9.07,;-5.98,-7.77,;-4.86,-10.01,)|
CCN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)Cc1ccccc1 |(.5,-13.42,;.1,-14.89,;-1.39,-15.29,;-1.8,-16.78,;-.72,-17.87,;-.97,-19.4,;.4,-20.12,;1.5,-19.02,;3.04,-18.81,;4.11,-19.89,;3.69,-21.38,;2.2,-21.75,;4.77,-22.48,;6.26,-22.08,;7.35,-23.18,;6.68,-20.59,;5.6,-19.51,;6,-18.02,;3.29,-17.27,;4.58,-16.45,;4.51,-14.91,;3.13,-14.19,;1.85,-15.03,;1.92,-16.57,;.82,-17.65,;-2.36,-20.09,;-3.61,-20.72,;-3.83,-19.42,;-2.72,-21.66,;-2.47,-14.19,;-3.96,-14.57,;-5.03,-13.47,;-6.53,-13.86,;-6.93,-15.34,;-5.85,-16.43,;-4.36,-16.05,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCC3CC3)CCC(F)(F)F)c(nc12)C(F)(F)F |(3.15,-7.19,;2.08,-6.09,;2.49,-4.6,;1.41,-3.5,;1.82,-2.03,;-.07,-3.9,;-.48,-5.38,;-1.97,-5.77,;.59,-6.48,;-1.14,-2.8,;-.9,-1.29,;.4,-.45,;.33,1.09,;-1.04,1.79,;-2.33,.96,;-2.26,-.57,;-3.37,-1.65,;-4.89,-1.87,;-5.98,-.78,;-5.56,.7,;-6.64,1.81,;-8.13,1.41,;-9.22,2.51,;-9.6,4,;-10.69,2.93,;-4.08,1.09,;-3.68,2.58,;-4.76,3.68,;-5.75,4.68,;-4.58,5.28,;-6.36,3.54,;-5.15,-3.41,;-3.78,-4.13,;-2.67,-3.04,;-6.54,-4.09,;-6.89,-5.66,;-7.79,-4.72,;-8.01,-3.43,)|
CCCN(CC1CC1)Cc1c(nc2n(-c3ccc(cc3Br)C(C)C)c3ccccc3n12)C(F)(F)F |(4.91,3.42,;3.41,3.03,;3.02,1.56,;1.52,1.16,;.45,2.26,;.85,3.75,;1.94,4.82,;.47,5.23,;1.12,-.33,;2.2,-1.42,;1.94,-2.95,;3.32,-3.67,;4.42,-2.57,;5.96,-2.36,;7.03,-3.44,;6.61,-4.93,;7.68,-6.03,;9.18,-5.63,;9.6,-4.14,;8.52,-3.06,;8.92,-1.57,;10.27,-6.73,;11.76,-6.35,;9.85,-8.22,;6.21,-.82,;7.5,,;7.43,1.54,;6.05,2.26,;4.77,1.42,;4.84,-.12,;3.73,-1.2,;.56,-3.64,;-.69,-4.27,;-.91,-2.97,;.19,-5.21,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCC(F)(F)F)Cc3ccccc3)c(nc12)C(F)(F)F |(5.53,-9.81,;4.46,-8.72,;2.97,-9.1,;1.9,-8,;.4,-8.39,;2.31,-6.53,;3.78,-6.14,;4.2,-4.65,;4.87,-7.23,;1.24,-5.44,;1.48,-3.92,;2.78,-3.08,;2.71,-1.55,;1.34,-.84,;.05,-1.66,;.12,-3.2,;-.99,-4.27,;-2.52,-4.51,;-3.6,-3.41,;-3.19,-1.92,;-1.7,-1.54,;-1.3,-.05,;-2.38,1.04,;-3.37,2.04,;-2.21,2.65,;-3.98,.9,;-4.27,-.82,;-5.76,-1.21,;-6.15,-2.69,;-7.64,-3.08,;-8.73,-1.98,;-8.31,-.5,;-6.83,-.1,;-2.77,-6.04,;-1.4,-6.74,;-.3,-5.66,;-4.16,-6.72,;-4.51,-8.28,;-5.41,-7.35,;-5.63,-6.06,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC=C)CC=C)c(nc12)C(F)(F)F |(2.55,-6.49,;1.48,-5.39,;-.02,-5.78,;-1.09,-4.69,;-2.58,-5.07,;-.68,-3.2,;.8,-2.8,;1.21,-1.33,;1.89,-3.9,;-1.75,-2.11,;-1.51,-.59,;-.2,.25,;-.27,1.79,;-1.65,2.49,;-2.94,1.65,;-2.87,.13,;-3.98,-.96,;-5.5,-1.17,;-6.59,-.08,;-6.17,1.4,;-4.69,1.79,;-4.28,3.28,;-2.79,3.66,;-7.26,2.51,;-6.85,4,;-7.92,5.08,;-5.76,-2.71,;-4.38,-3.43,;-3.28,-2.34,;-7.15,-3.39,;-8.39,-4.02,;-8.62,-2.74,;-7.5,-4.96,)|
CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12 |(-9.52,5.06,;-8.46,3.94,;-8.86,2.47,;-7.77,1.35,;-6.29,1.74,;-5.88,3.24,;-4.78,4.31,;-6.27,4.71,;-8.18,-.12,;-7.11,-1.22,;-7.37,-2.76,;-8.74,-3.44,;-5.99,-3.48,;-4.88,-2.39,;-3.35,-2.15,;-2.28,-3.25,;-2.68,-4.74,;-4.18,-5.12,;-1.61,-5.83,;-.12,-5.44,;.96,-6.54,;.29,-3.95,;-.79,-2.85,;-.39,-1.38,;-3.1,-.64,;-1.8,.2,;-1.87,1.74,;-3.24,2.44,;-4.54,1.61,;-4.47,.09,;-5.57,-1,)|
CCCN(CC1CC1)Cc1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccc(F)cc3n12 |(3.81,5.27,;4.89,4.17,;4.49,2.68,;5.56,1.58,;7.06,1.98,;7.45,3.45,;8.55,4.53,;7.07,4.94,;5.16,.09,;6.24,-1,;5.98,-2.53,;4.6,-3.22,;4.5,-4.76,;7.36,-3.25,;8.46,-2.16,;10,-1.94,;11.07,-3.02,;12.56,-2.64,;12.96,-1.15,;13.64,-3.72,;13.22,-5.21,;14.31,-6.31,;11.72,-5.61,;10.65,-4.51,;9.16,-4.89,;10.25,-.4,;11.54,.42,;11.47,1.96,;10.09,2.68,;10.02,4.22,;8.81,1.84,;8.88,.3,;7.77,-.78,)|
CCCN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)Cc1ccccc1 |(.7,-18.27,;-.79,-18.66,;-1.21,-20.14,;-2.68,-20.54,;-3.09,-22.02,;-2.02,-23.12,;-2.28,-24.64,;-.9,-25.36,;.21,-24.27,;1.73,-24.05,;2.81,-25.13,;2.4,-26.62,;.91,-27,;3.48,-27.72,;4.97,-27.32,;6.05,-28.42,;5.37,-25.83,;4.3,-24.75,;4.7,-23.26,;1.99,-22.52,;3.29,-21.69,;3.22,-20.15,;1.84,-19.44,;.54,-20.28,;.61,-21.81,;-.48,-22.89,;-3.65,-25.33,;-4.91,-25.96,;-5.12,-24.66,;-4.01,-26.9,;-3.77,-19.43,;-5.26,-19.81,;-5.66,-21.3,;-7.14,-21.68,;-8.23,-20.58,;-7.81,-19.1,;-6.34,-18.72,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCc3ccccc3)CCc3ccccc3)c(nc12)C(F)(F)F |(5.38,-12.68,;4.31,-11.59,;2.82,-11.98,;1.75,-10.89,;.26,-11.26,;2.16,-9.4,;3.64,-9.02,;4.05,-7.54,;4.72,-10.1,;1.09,-8.33,;1.33,-6.8,;2.64,-5.98,;2.57,-4.44,;1.19,-3.73,;-.09,-4.57,;-.02,-6.09,;-1.13,-7.17,;-2.65,-7.4,;-3.74,-6.3,;-3.32,-4.82,;-1.84,-4.43,;-1.43,-2.95,;-1.84,-1.47,;-.74,-.36,;-1.15,1.13,;-2.67,1.53,;-3.76,.41,;-3.34,-1.08,;-4.4,-3.72,;-3.99,-2.24,;-5.06,-1.15,;-4.65,.33,;-5.74,1.42,;-7.22,1.04,;-7.62,-.45,;-6.55,-1.54,;-2.91,-8.91,;-1.53,-9.64,;-.43,-8.54,;-4.29,-9.6,;-5.53,-10.23,;-5.76,-8.94,;-4.64,-11.17,)|
CCCN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)CC(F)(F)C(F)(F)F |(-2.7,3.33,;-4.19,2.93,;-4.59,1.45,;-6.08,1.06,;-6.5,-.43,;-5.41,-1.52,;-5.66,-3.05,;-4.29,-3.76,;-3.19,-2.68,;-1.65,-2.46,;-.58,-3.54,;.89,-3.15,;1.31,-1.66,;1.98,-4.24,;1.57,-5.73,;2.64,-6.83,;.08,-6.11,;-.99,-5.02,;-2.49,-5.41,;-1.41,-.93,;-.11,-.1,;-.18,1.44,;-1.55,2.14,;-2.84,1.32,;-2.77,-.22,;-3.88,-1.29,;-7.05,-3.74,;-8.52,-3.08,;-7.4,-5.3,;-8.31,-4.37,;-7.16,2.16,;-6.75,3.65,;-5.99,4.98,;-5.27,3.26,;-7.82,4.75,;-9.43,4.59,;-8.8,5.75,;-7.65,6.34,)|
CCCN(CC1CC1)Cc1c(nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n12)C(F)(F)F |(6.95,3.42,;5.46,3.03,;5.04,1.55,;3.57,1.16,;2.48,2.26,;2.89,3.75,;3.97,4.82,;2.5,5.22,;3.16,-.33,;4.23,-1.42,;3.97,-2.95,;5.35,-3.67,;6.46,-2.57,;7.98,-2.35,;9.05,-3.44,;8.65,-4.93,;9.72,-6.02,;11.22,-5.63,;12.3,-6.72,;11.62,-4.13,;10.55,-3.05,;10.94,-1.57,;8.24,-.82,;9.54,,;9.47,1.54,;8.09,2.25,;6.79,1.41,;6.86,-.12,;5.77,-1.2,;2.6,-3.64,;1.34,-4.27,;1.13,-2.97,;2.24,-5.21,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCC(F)(F)F)CC(F)(F)F)c(nc12)C(F)(F)F |(4.95,-9.78,;3.86,-8.68,;4.27,-7.19,;3.2,-6.11,;3.6,-4.62,;1.71,-6.49,;1.31,-7.98,;-.19,-8.36,;2.38,-9.08,;.64,-5.41,;.89,-3.88,;2.19,-3.05,;2.12,-1.52,;.75,-.8,;-.55,-1.64,;-.48,-3.17,;-1.58,-4.25,;-3.12,-4.48,;-4.19,-3.38,;-3.78,-1.9,;-4.87,-.79,;-4.45,.69,;-5.53,1.79,;-6.51,2.79,;-5.36,3.4,;-7.13,1.65,;-2.3,-1.5,;-1.89,-.02,;-1.52,1.33,;-.41,.63,;-2.81,1.3,;-3.37,-6,;-2,-6.72,;-.89,-5.63,;-4.75,-6.69,;-6.01,-7.32,;-6.22,-6.02,;-5.11,-8.26,)|
CCCN(CC1CC1)C(=O)c1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccc(F)cc3n12 |(.33,-13.31,;1.41,-14.4,;1.01,-15.9,;2.08,-16.99,;3.58,-16.61,;3.97,-15.13,;5.07,-14.05,;3.59,-13.65,;1.68,-18.48,;.19,-18.86,;2.76,-19.58,;2.5,-21.11,;1.12,-21.8,;-.16,-20.95,;3.88,-21.82,;4.98,-20.74,;6.52,-20.51,;7.59,-21.6,;7.17,-23.08,;5.68,-23.47,;8.24,-24.18,;9.74,-23.8,;10.82,-24.89,;10.16,-22.3,;9.08,-21.21,;9.48,-19.72,;6.77,-18.99,;8.06,-18.16,;7.99,-16.62,;6.61,-15.91,;6.54,-14.37,;5.33,-16.74,;5.4,-18.27,;4.29,-19.35,)|
CCCN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)CC(F)(F)F |(-2.65,3.67,;-4.14,3.28,;-4.54,1.79,;-6.03,1.41,;-6.43,-.08,;-5.35,-1.17,;-5.61,-2.7,;-4.23,-3.41,;-3.14,-2.33,;-1.6,-2.11,;-.53,-3.19,;-.95,-4.67,;-2.44,-5.06,;.12,-5.76,;1.62,-5.38,;2.7,-6.48,;2.04,-3.89,;.96,-2.8,;1.36,-1.31,;-1.35,-.58,;-.06,.25,;-.13,1.79,;-1.51,2.49,;-2.79,1.67,;-2.72,.13,;-3.82,-.94,;-6.99,-3.39,;-8.46,-2.73,;-7.36,-4.95,;-8.24,-4.02,;-7.1,2.51,;-6.7,4,;-6.32,5.34,;-5.22,4.64,;-7.64,5.31,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCc3ccccc3)CCC(F)(F)F)c(nc12)C(F)(F)F |(4.09,-8.17,;3.02,-7.07,;1.52,-7.46,;.45,-6.37,;-1.04,-6.75,;.87,-4.88,;2.36,-4.48,;2.76,-3.01,;3.44,-5.58,;-.2,-3.79,;.05,-2.27,;1.34,-1.43,;1.27,.11,;-.11,.81,;-1.39,-.02,;-1.32,-1.55,;-2.42,-2.63,;-3.96,-2.85,;-5.04,-1.76,;-4.63,-.28,;-5.71,.83,;-7.2,.44,;-8.28,1.53,;-9.76,1.14,;-10.84,2.23,;-10.44,3.72,;-8.95,4.12,;-7.87,3.02,;-3.14,.11,;-2.74,1.6,;-3.82,2.7,;-4.8,3.7,;-3.65,4.29,;-5.43,2.54,;-4.21,-4.39,;-2.84,-5.11,;-1.74,-4.02,;-5.6,-5.07,;-5.96,-6.65,;-6.85,-5.7,;-7.07,-4.41,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCC(F)(F)F)CC3CC3)c(nc12)C(F)(F)F |(5.88,-11.87,;4.79,-10.77,;5.21,-9.28,;4.13,-8.18,;4.54,-6.71,;2.65,-8.58,;2.23,-10.07,;.73,-10.44,;3.3,-11.17,;1.57,-7.48,;1.82,-5.96,;3.11,-5.14,;3.04,-3.6,;1.67,-2.88,;.38,-3.72,;.45,-5.25,;-.65,-6.33,;-2.19,-6.56,;-3.27,-5.46,;-2.86,-3.98,;-3.94,-2.87,;-3.54,-1.39,;-4.61,-.29,;-5.6,.72,;-4.43,1.32,;-6.21,-.43,;-1.37,-3.58,;-.97,-2.1,;-1.35,-.61,;.12,-1.03,;-2.44,-8.09,;-1.07,-8.81,;.03,-7.71,;-3.83,-8.78,;-4.19,-10.35,;-5.08,-9.41,;-5.3,-8.11,)|
CCCCN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)Cc1ccccc1 |(1.93,-.05,;1.52,-1.52,;.03,-1.92,;-.37,-3.4,;-1.86,-3.78,;-2.28,-5.28,;-1.19,-6.37,;-1.45,-7.9,;-.07,-8.61,;1.03,-7.53,;2.56,-7.3,;3.64,-8.39,;3.22,-9.87,;1.73,-10.26,;4.3,-10.96,;5.79,-10.58,;6.86,-11.68,;6.2,-9.09,;5.11,-8,;5.52,-6.51,;2.8,-5.78,;4.11,-4.95,;4.04,-3.41,;2.66,-2.7,;1.38,-3.53,;1.45,-5.07,;.33,-6.14,;-2.84,-8.59,;-4.08,-9.21,;-4.3,-7.92,;-3.19,-10.15,;-2.94,-2.69,;-4.43,-3.08,;-5.5,-1.97,;-6.98,-2.36,;-7.4,-3.85,;-6.31,-4.94,;-4.82,-4.55,)|
CCCN(CC1CC1)C(=O)c1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12 |(-3.26,4.59,;-2.19,3.49,;-2.6,2,;-1.52,.9,;-.04,1.28,;.37,2.77,;1.47,3.84,;-.02,4.24,;-1.93,-.59,;-3.42,-.96,;-.85,-1.69,;-1.11,-3.22,;-2.49,-3.9,;.26,-3.93,;1.38,-2.84,;2.9,-2.62,;3.97,-3.71,;5.46,-3.32,;5.86,-1.83,;6.54,-4.41,;6.13,-5.9,;7.21,-7,;4.64,-6.28,;3.57,-5.18,;2.08,-5.57,;3.16,-1.1,;4.44,-.26,;4.38,1.27,;3.01,1.98,;1.71,1.16,;1.78,-.38,;.68,-1.45,)|
CCCN(CC1CCC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-6.5,-3.36,;-5.43,-4.46,;-5.84,-5.95,;-4.76,-7.05,;-3.28,-6.67,;-2.87,-5.18,;-1.53,-4.43,;-2.3,-3.08,;-3.63,-3.85,;-5.17,-8.54,;-4.09,-9.63,;-4.35,-11.17,;-2.98,-11.87,;-1.86,-10.79,;-.34,-10.57,;.73,-11.65,;2.22,-11.27,;2.62,-9.77,;3.29,-12.35,;2.89,-13.85,;3.97,-14.94,;1.4,-14.23,;.33,-13.13,;-1.17,-13.52,;-.09,-9.04,;1.21,-8.21,;1.14,-6.67,;-.23,-5.97,;-1.53,-6.79,;-1.46,-8.33,;-2.56,-9.4,;-5.73,-11.85,;-6.98,-12.48,;-7.19,-11.19,;-6.08,-13.41,)|
CCCN(CCc1ccccc1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(6.83,3.63,;5.34,3.24,;4.93,1.76,;3.45,1.37,;2.36,2.47,;2.77,3.96,;1.7,5.05,;.22,4.66,;-.86,5.75,;-.46,7.24,;1.03,7.62,;2.11,6.54,;3.04,-.12,;4.11,-1.21,;3.85,-2.74,;5.23,-3.46,;6.34,-2.36,;7.87,-2.14,;8.94,-3.23,;10.43,-2.84,;10.83,-1.36,;11.5,-3.92,;11.1,-5.42,;12.18,-6.51,;9.61,-5.81,;8.53,-4.72,;7.04,-5.09,;8.12,-.61,;9.42,.21,;9.35,1.75,;7.97,2.46,;6.68,1.62,;6.75,.09,;5.65,-.99,;2.48,-3.43,;1.22,-4.06,;1.01,-2.76,;2.12,-5,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCc3ccccc3)CC(F)(F)F)c(nc12)C(F)(F)F |(7.76,-8.34,;6.69,-7.25,;7.1,-5.76,;6.02,-4.66,;6.43,-3.19,;4.54,-5.06,;4.13,-6.54,;2.64,-6.92,;5.2,-7.64,;3.47,-3.97,;3.71,-2.45,;5.01,-1.61,;4.94,-.08,;3.57,.62,;2.28,-.21,;2.35,-1.73,;1.24,-2.82,;-.28,-3.04,;-1.37,-1.94,;-.95,-.47,;-2.03,.64,;-3.52,.25,;-4.6,1.34,;-4.18,2.83,;-5.26,3.93,;-6.75,3.53,;-7.16,2.04,;-6.08,.95,;.54,-.08,;.94,1.41,;1.31,2.76,;2.41,2.06,;.01,2.72,;-.54,-4.57,;.84,-5.29,;1.94,-4.2,;-1.92,-5.25,;-3.39,-4.6,;-2.27,-6.82,;-3.17,-5.88,)|
CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccc(F)cc3n12 |(3.81,5.27,;4.89,4.17,;4.49,2.68,;5.56,1.58,;7.06,1.98,;7.45,3.45,;8.55,4.53,;7.07,4.94,;5.16,.09,;6.24,-1,;5.98,-2.53,;4.6,-3.22,;7.36,-3.25,;8.46,-2.16,;10,-1.94,;11.07,-3.02,;12.56,-2.64,;12.96,-1.15,;13.64,-3.72,;13.22,-5.21,;14.31,-6.31,;11.73,-5.61,;10.65,-4.51,;9.16,-4.89,;10.25,-.4,;11.54,.42,;11.47,1.96,;10.09,2.68,;10.02,4.22,;8.81,1.84,;8.88,.3,;7.77,-.78,)|
CCCN(CC1CC1)C(=O)c1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccc(F)cc3n12 |(-3.63,2.07,;-2.56,.97,;-2.96,-.51,;-1.88,-1.62,;-.39,-1.22,;.01,.26,;1.1,1.33,;-.37,1.74,;-2.29,-3.1,;-3.78,-3.49,;-1.21,-4.2,;-1.46,-5.73,;-2.85,-6.42,;-.09,-6.45,;1.01,-5.35,;2.55,-5.13,;3.63,-6.22,;3.21,-7.71,;1.71,-8.08,;4.28,-8.81,;5.77,-8.41,;6.86,-9.51,;6.19,-6.92,;5.11,-5.83,;5.52,-4.35,;2.8,-3.6,;4.09,-2.78,;4.02,-1.24,;2.65,-.52,;2.58,1.02,;1.36,-1.36,;1.43,-2.89,;.33,-3.98,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC3CC3)CC(F)(F)C(F)(F)F)c(nc12)C(F)(F)F |(3.76,-7.28,;2.69,-6.18,;3.1,-4.69,;2.01,-3.61,;2.42,-2.13,;.54,-3.99,;.12,-5.49,;-1.37,-5.86,;1.2,-6.58,;-.54,-2.91,;-.3,-1.38,;1.01,-.56,;.94,.98,;-.44,1.69,;-1.72,.85,;-1.65,-.68,;-2.77,-1.76,;-4.29,-1.98,;-5.38,-.89,;-4.96,.6,;-3.47,.99,;-3.07,2.47,;-3.47,3.95,;-1.97,3.54,;-6.04,1.7,;-5.63,3.19,;-4.55,4.28,;-7.12,2.79,;-6.71,4.28,;-8.31,4.14,;-7.68,5.28,;-6.53,5.89,;-4.55,-3.5,;-3.17,-4.23,;-2.07,-3.13,;-5.94,-4.2,;-7.4,-3.53,;-6.29,-5.77,;-7.18,-4.82,)|
CCCN(CC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-2.56,-11.8,;-1.49,-12.89,;-1.88,-14.38,;-.81,-15.48,;.68,-15.09,;1.08,-13.61,;.7,-12.12,;2.18,-12.53,;-1.21,-16.97,;-.13,-18.07,;-.39,-19.59,;.99,-20.32,;2.09,-19.22,;3.63,-19,;4.7,-20.08,;6.19,-19.7,;6.59,-18.21,;7.27,-20.78,;6.85,-22.28,;7.94,-23.37,;5.35,-22.67,;4.28,-21.58,;2.79,-21.95,;3.86,-17.47,;5.17,-16.64,;5.1,-15.1,;3.72,-14.39,;2.44,-15.23,;2.51,-16.76,;1.4,-17.84,;-1.77,-20.28,;-3.03,-20.91,;-3.24,-19.61,;-2.14,-21.86,)|
CCCN(CCc1ccccc1)Cc1c(nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n12)C(F)(F)F |(7.76,.46,;6.27,.06,;5.86,-1.42,;4.38,-1.8,;3.29,-.71,;3.71,.78,;2.63,1.88,;1.15,1.48,;.07,2.58,;.47,4.07,;1.97,4.47,;3.04,3.36,;3.97,-3.29,;5.04,-4.39,;4.79,-5.92,;6.16,-6.63,;7.27,-5.55,;8.8,-5.32,;9.87,-6.41,;9.46,-7.89,;10.54,-8.98,;12.03,-8.6,;13.11,-9.7,;12.43,-7.11,;11.36,-6.02,;11.76,-4.53,;9.05,-3.8,;10.35,-2.97,;10.28,-1.43,;8.9,-.72,;7.61,-1.55,;7.68,-3.08,;6.58,-4.16,;3.41,-6.6,;2.15,-7.23,;1.94,-5.94,;3.05,-8.17,)|
CCN(CCC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(.75,2.7,;.33,1.23,;-1.14,.83,;-2.23,1.94,;-3.72,1.55,;-4.8,2.65,;-5.18,4.14,;-6.27,3.05,;-1.55,-.65,;-.48,-1.75,;-.74,-3.27,;.64,-4,;1.75,-2.9,;3.27,-2.68,;4.34,-3.76,;5.84,-3.38,;6.23,-1.9,;6.91,-4.46,;6.51,-5.95,;7.59,-7.05,;5.01,-6.35,;3.94,-5.25,;2.45,-5.63,;3.53,-1.15,;4.83,-.33,;4.76,1.21,;3.38,1.93,;2.08,1.09,;2.15,-.44,;1.06,-1.52,;-2.11,-3.96,;-3.37,-4.59,;-3.58,-3.3,;-2.47,-5.53,)|
CCCN(CC1CC1)C(=O)c1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12 |(-5.1,2.81,;-4.03,1.72,;-4.43,.23,;-3.35,-.87,;-1.86,-.49,;-1.46,.99,;-.37,2.07,;-1.86,2.47,;-3.77,-2.36,;-5.26,-2.74,;-2.68,-3.46,;-2.94,-4.99,;-4.33,-5.67,;-5.61,-4.83,;-1.56,-5.7,;-.46,-4.62,;1.07,-4.39,;2.14,-5.48,;3.62,-5.09,;4.03,-3.6,;4.71,-6.18,;4.3,-7.67,;5.37,-8.77,;2.81,-8.05,;1.73,-6.95,;.24,-7.34,;1.31,-2.87,;2.62,-2.04,;2.55,-.5,;1.17,.21,;-.12,-.61,;-.05,-2.15,;-1.16,-3.22,)|
CCCN(CCC(F)(F)F)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-2.65,3.67,;-4.14,3.28,;-4.54,1.79,;-6.03,1.41,;-7.1,2.51,;-6.7,4,;-7.78,5.1,;-8.76,6.1,;-7.59,6.69,;-9.39,4.94,;-6.43,-.08,;-5.35,-1.17,;-5.61,-2.7,;-4.23,-3.41,;-3.14,-2.33,;-1.6,-2.11,;-.53,-3.19,;.96,-2.8,;1.36,-1.31,;2.04,-3.89,;1.62,-5.38,;2.7,-6.48,;.12,-5.76,;-.95,-4.67,;-2.44,-5.06,;-1.35,-.58,;-.06,.25,;-.13,1.79,;-1.51,2.49,;-2.79,1.67,;-2.72,.13,;-3.82,-.94,;-6.99,-3.39,;-7.36,-4.95,;-8.24,-4.02,;-8.46,-2.73,)|
CCCN(CC1CC1)Cc1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12 |(-9.52,5.06,;-8.46,3.94,;-8.86,2.47,;-7.77,1.35,;-6.29,1.74,;-5.88,3.24,;-4.78,4.31,;-6.27,4.71,;-8.18,-.12,;-7.11,-1.22,;-7.37,-2.76,;-8.74,-3.44,;-10.03,-2.6,;-5.99,-3.48,;-4.88,-2.39,;-3.35,-2.16,;-2.28,-3.25,;-2.68,-4.74,;-4.18,-5.12,;-1.61,-5.83,;-.12,-5.45,;.96,-6.54,;.29,-3.95,;-.79,-2.86,;-.39,-1.38,;-3.1,-.64,;-1.8,.2,;-1.87,1.74,;-3.24,2.44,;-4.54,1.61,;-4.47,.09,;-5.57,-1,)|
CCCN(CC1CC1)C(=O)c1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-6.76,4.88,;-5.68,3.78,;-6.08,2.3,;-5.01,1.19,;-3.51,1.58,;-3.12,3.07,;-3.5,4.54,;-2.02,4.14,;-5.41,-.29,;-6.9,-.68,;-4.33,-1.38,;-4.59,-2.92,;-3.21,-3.64,;-2.11,-2.55,;-.58,-2.32,;.5,-3.41,;.08,-4.9,;-1.42,-5.28,;1.15,-5.99,;2.64,-5.61,;3.73,-6.7,;3.06,-4.11,;1.98,-3.02,;2.39,-1.54,;-.33,-.8,;.96,.04,;.89,1.58,;-.48,2.28,;-1.76,1.45,;-1.7,-.08,;-2.8,-1.17,;-5.97,-3.6,;-7.22,-4.23,;-7.44,-2.95,;-6.34,-5.18,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(8.33,-9.37,;7.25,-8.27,;5.76,-8.66,;4.67,-7.56,;3.19,-7.93,;5.09,-6.08,;6.58,-5.7,;6.98,-4.2,;7.65,-6.78,;4.02,-5,;4.27,-3.47,;5.57,-2.64,;5.5,-1.1,;4.13,-.4,;2.83,-1.22,;2.9,-2.76,;1.8,-3.83,;.26,-4.06,;-.81,-2.97,;-.4,-1.48,;1.08,-1.1,;1.49,.39,;2.59,1.46,;1.1,1.86,;-1.48,-.38,;-1.07,1.11,;-.69,2.46,;.4,1.76,;-2,2.42,;.01,-5.59,;1.38,-6.3,;2.49,-5.22,;-1.37,-6.28,;-2.84,-5.62,;-1.72,-7.84,;-2.63,-6.91,)|
CCN(CC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-5.82,4.24,;-6.22,2.74,;-5.15,1.65,;-3.65,2.03,;-3.26,3.51,;-2.16,4.59,;-3.64,4.99,;-5.55,.16,;-4.47,-.94,;-4.73,-2.47,;-3.35,-3.18,;-2.25,-2.1,;-.71,-1.87,;.36,-2.96,;1.84,-2.57,;2.25,-1.08,;2.92,-3.66,;2.5,-5.15,;3.59,-6.25,;1.01,-5.53,;-.06,-4.44,;-1.55,-4.83,;-.47,-.35,;.82,.48,;.75,2.02,;-.62,2.73,;-1.9,1.9,;-1.83,.37,;-2.94,-.71,;-6.11,-3.16,;-7.36,-3.79,;-7.58,-2.49,;-6.47,-4.72,)|
CCN(CCc1ccccc1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-2.39,-.03,;-2.8,-1.52,;-4.28,-1.9,;-5.36,-.8,;-4.96,.69,;-6.03,1.79,;-7.52,1.39,;-8.6,2.49,;-8.2,3.98,;-6.71,4.35,;-5.63,3.26,;-4.7,-3.39,;-3.61,-4.48,;-3.87,-6.01,;-2.49,-6.72,;-1.39,-5.64,;.14,-5.42,;1.21,-6.5,;.8,-7.98,;-.69,-8.37,;1.87,-9.08,;3.36,-8.69,;4.44,-9.79,;3.78,-7.2,;2.69,-6.12,;3.1,-4.62,;.38,-3.89,;1.69,-3.06,;1.62,-1.52,;.24,-.82,;-1.05,-1.64,;-.98,-3.18,;-2.09,-4.25,;-5.26,-6.7,;-6.5,-7.33,;-6.73,-6.04,;-5.61,-8.26,)|
CC(C)c1ccc(c(Br)c1)-n1c2ccccc2n2c(CN(CC3CC3)CC3CC3)c(nc12)C(F)(F)F |(10.56,-7.98,;10.96,-6.49,;12.45,-6.11,;9.89,-5.39,;8.4,-5.79,;7.33,-4.69,;7.74,-3.2,;9.21,-2.82,;9.63,-1.34,;10.3,-3.9,;6.67,-2.12,;6.91,-.59,;8.21,.23,;8.14,1.77,;6.77,2.49,;5.48,1.65,;5.55,.12,;4.44,-.96,;2.91,-1.19,;1.83,-.09,;2.25,1.39,;1.17,2.49,;1.57,3.98,;2.67,5.05,;1.17,5.45,;3.73,1.79,;4.13,3.26,;5.23,4.35,;3.74,4.75,;2.66,-2.71,;4.03,-3.43,;5.14,-2.34,;1.27,-3.4,;.02,-4.03,;-.2,-2.74,;.92,-4.97,)|
Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC3CC3)CC3CC3)c(nc12)C(F)(F)F |(15.58,-10,;14.49,-8.9,;14.91,-7.41,;13.83,-6.32,;14.24,-4.84,;12.35,-6.71,;11.93,-8.2,;10.44,-8.58,;13,-9.29,;11.28,-5.62,;11.53,-4.11,;12.82,-3.27,;12.75,-1.73,;11.37,-1.03,;10.09,-1.86,;10.16,-3.38,;9.06,-4.47,;7.53,-4.69,;6.45,-3.59,;6.85,-2.12,;8.34,-1.73,;8.74,-.24,;9.83,.84,;8.34,1.25,;5.78,-1.01,;6.18,.47,;5.78,1.96,;7.27,1.55,;7.27,-6.23,;8.65,-6.94,;9.74,-5.85,;5.89,-6.9,;4.64,-7.53,;4.42,-6.25,;5.53,-8.48,)|
CCCN(CCc1ccccc1)Cc1c(nc2n(-c3ccc(cc3Br)C(C)C)c3ccccc3n12)C(F)(F)F |(4.62,2.89,;3.12,2.51,;2.71,1.02,;1.24,.63,;.15,1.74,;.56,3.22,;-.51,4.31,;-2,3.93,;-3.08,5.01,;-2.67,6.5,;-1.18,6.89,;-.11,5.8,;.82,-.85,;1.9,-1.94,;1.64,-3.48,;3.02,-4.2,;4.13,-3.11,;5.65,-2.88,;6.72,-3.97,;6.32,-5.46,;7.39,-6.55,;8.88,-6.16,;9.29,-4.67,;8.21,-3.58,;8.61,-2.1,;9.96,-7.26,;9.54,-8.74,;11.46,-6.88,;5.91,-1.36,;7.2,-.52,;7.13,1.02,;5.76,1.72,;4.46,.89,;4.53,-.64,;3.44,-1.73,;.26,-4.16,;-.99,-4.79,;-1.2,-3.51,;-.09,-5.74,)|
FC(F)(F)c1nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n2c1CN(CC1CC1)CC1CC1 |(-.09,-3.94,;1.15,-3.31,;-.32,-2.64,;.8,-4.88,;2.54,-2.62,;3.91,-3.34,;5.02,-2.24,;6.55,-2.03,;7.62,-3.11,;7.21,-4.6,;8.28,-5.69,;9.77,-5.3,;10.84,-6.39,;10.18,-3.8,;9.09,-2.73,;9.5,-1.24,;6.79,-.5,;8.09,.33,;8.02,1.86,;6.65,2.58,;5.36,1.74,;5.43,.21,;4.32,-.87,;2.8,-1.09,;1.71,,;2.13,1.48,;1.05,2.59,;1.45,4.07,;2.55,5.14,;1.06,5.56,;3.61,1.88,;4.01,3.35,;5.11,4.43,;3.62,4.84,)|
CCc1nc2N(CCn2c1C(=O)NN1CCNCC1)c1c(C)cc(C)cc1C
CCCN(CC=C)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCCN(CCC)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCN(CC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCCCN(CC)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCN(CCN(C)C)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)F)c1c(C)cc(C)cc1Br
CCCN(Cc1ccccc1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCCN(Cc1cccc(F)c1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCCN(CCC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCCN(Cc1ccc(Cl)cc1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)NN1CCN(CC1)C(C)=O)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)N(CCC(F)(F)F)Cc1ccccc1)c1c(C)cc(C)cc1C
CCCN(CC1CC1)Cc1c(C)nc2N(CCn12)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)Nc1ccccc1)c1c(C)cc(C)cc1C
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1Br
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1ccc(cc1Br)C(C)C
CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)F)c1c(C)cc(Cl)cc1Cl
CCCN(CC(F)(F)F)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)N(CC=C)CC=C)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)F)c1c(C)cc(C)cc1Cl
CCc1nc2N(CCn2c1C(=O)NN1CCOCC1)c1c(C)cc(C)cc1C
CCCN(CCc1ccccc1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC1CC1)c1c(C)cc(C)cc1C
CCCN(CC1CC1)Cc1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(Cl)cc1Cl
CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)F)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)NN1CCN(CC1)c1ccccc1F)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)F)c1ccc(cc1Br)C(C)C
CCc1nc2N(CCn2c1C(=O)N(Cc1ccccc1)Cc1ccccc1)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)N(CCC1CC1)CCC(F)(F)F)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)N(CCC(F)(F)F)CC1CC1)c1c(C)cc(C)cc1C
CCCN(CC1CC1)C(=O)c1c(C)nc2N(CCn12)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)N(CC1CC1)CC(F)(F)C(F)(F)F)c1c(C)cc(C)cc1C
CCc1nc2N(CCn2c1C(=O)N(CCC(F)(F)F)Cc1ccc(Cl)cc1)c1c(C)cc(C)cc1C
CCCN(CCC(F)(F)F)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCN(CCC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1C
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(CCn12)c1c(C)cc(C)cc1Cl
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1cccc(OC)c1)c2=O
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(Cl)cn1)c2=O
CCC(CC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OC)cc1)c2=O
CCC(CC)N1CCn2c3c1cc(C)nc3n(-c1ccc(cc1)C(F)(F)F)c2=O
CCC(CC)N1CCn2c3c1cc(C)nc3n(-c1ccc(Cl)cc1)c2=O
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccccc1OC)c2=O |(-5.47,2.86,;-4.14,3.63,;-2.8,2.86,;-1.47,3.63,;-1.46,5.17,;-.13,5.94,;-.13,7.49,;-.13,2.84,;1.2,3.61,;2.99,2.5,;2.67,.99,;1.2,.53,;-.13,1.3,;-1.46,.51,;-1.46,-1.03,;-2.81,-1.8,;-.13,-1.8,;1.2,-1.03,;2.67,-1.5,;3.3,-2.9,;2.39,-4.16,;3.02,-5.56,;4.55,-5.72,;5.46,-4.48,;4.83,-3.06,;5.72,-1.83,;7.21,-2.22,;3.57,-.26,;5.11,-.26,)|
CCC(CC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OC)cc1C)c2=O |(-2.58,3.06,;-1.25,2.3,;.08,3.06,;.08,4.61,;1.4,5.38,;1.42,2.29,;2.74,3.06,;4.51,1.94,;4.19,.46,;2.74,-.02,;1.42,.74,;.08,-.02,;.08,-1.56,;-1.25,-2.34,;1.42,-2.33,;2.74,-1.56,;4.19,-2.03,;4.81,-3.44,;3.91,-4.67,;4.53,-6.08,;6.07,-6.24,;6.83,-7.55,;8.3,-7.16,;6.97,-5,;6.35,-3.6,;7.24,-2.35,;5.09,-.8,;6.62,-.8,)|
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(Cl)cc1Cl)c2=O |(2.62,5.41,;2.62,3.85,;1.29,3.08,;1.27,1.53,;-.06,.76,;-1.39,1.53,;-2.73,.76,;2.62,.75,;3.96,1.52,;5.29,.75,;5.28,-.79,;3.95,-1.57,;2.62,-.8,;1.29,-1.57,;1.29,-3.12,;-.2,-3.56,;3.14,-4.12,;4.28,-3.08,;5.82,-3.23,;6.78,-4.44,;6.22,-5.86,;7.2,-7.06,;8.71,-6.83,;9.68,-8.02,;9.26,-5.4,;8.3,-4.21,;8.86,-2.76,;6.43,-1.82,;7.94,-1.5,)|
COc1ccc(cc1)-n1c2nc(C)cc3N(CCn(c23)c1=O)C(C)C
CCCCN1CCn2c3c1cc(C)nc3n(-c1ccc(OC)cc1)c2=O
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OC)cc1)c2=O
CCCC(CCC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(cc1)C(=O)OC)c2=O
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(Cl)cc1)c2=O
CCCC(OC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OC)cc1C)c2=O |(.59,6.45,;.59,4.91,;-.74,4.15,;-.74,2.6,;-2.06,1.83,;-3.39,2.6,;.6,1.83,;1.93,2.59,;3.7,1.48,;3.37,-.01,;1.93,-.49,;.6,.28,;-.74,-.49,;-.74,-2.03,;-2.07,-2.81,;.6,-2.79,;1.93,-2.03,;3.37,-2.49,;4,-3.9,;3.1,-5.14,;3.72,-6.55,;5.25,-6.71,;5.65,-8.18,;7.18,-8.18,;6.16,-5.46,;5.53,-4.06,;6.29,-2.72,;4.28,-1.26,;5.81,-1.26,)|
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(cc1)S(C)(=O)=O)c2=O
CCCC(OC)N1CCn2c3c1cc(C)nc3n(-c1ccc(Cl)cc1)c2=O
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(cc1Br)C(C)C)c2=O |(-5.8,2.54,;-4.46,3.31,;-3.13,2.54,;-1.79,3.31,;-1.78,4.86,;-.44,5.63,;-.44,7.18,;-.44,2.52,;.9,3.29,;2.23,2.52,;2.22,.97,;.89,.2,;-.44,.97,;-1.78,.19,;-1.78,-1.36,;-3.27,-1.8,;.08,-2.35,;1.22,-1.32,;2.76,-1.46,;3.73,-2.67,;3.16,-4.1,;4.14,-5.31,;5.66,-5.06,;6.2,-3.63,;5.25,-2.44,;5.81,-1.01,;6.41,-6.39,;5.64,-7.72,;7.96,-6.41,;3.37,-.05,;4.89,.27,)|
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OC)nc1)c2=O
CCCC(OC)N1CCn2c3c1cc(C)nc3n(-c1ccc(cc1)C(F)(F)F)c2=O
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(cc1)C(F)(F)F)c2=O
CCCC(OC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OC)cc1)c2=O
CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OCC)cc1)c2=O
Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)nc1Nc1c(C)cc(C)cc1C
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1
Cc1cc(C)c(Nc2nc(C)cc(C)c2S(=O)(=O)c2ccccc2)c(C)c1
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCC=C)cc2)c(C)c1
COc1cccc(c1)S(=O)(=O)c1ccc(C)nc1Nc1c(C)cc(C)cc1C
COc1cccc(COc2ccc(cc2)S(=O)(=O)c2ccc(C)nc2Nc2c(C)cc(C)cc2C)c1
COc1ccccc1COc1ccc(cc1)S(=O)(=O)c1ccc(C)nc1Nc1c(C)cc(C)cc1C
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCCCC#N)cc2)c(C)c1
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCc3ccc(cc3)C#N)cc2)c(C)c1
COc1cc(COc2ccc(cc2)S(=O)(=O)c2ccc(C)nc2Nc2c(C)cc(C)cc2C)cc(OC)c1
COc1ccc(cc1)S(=O)(=O)c1ccc(C)nc1Nc1c(C)cc(C)cc1C
Cc1ccc(cc1)S(=O)(=O)c1ccc(Nc2c(C)cc(C)cc2C)nc1C
Cc1cccc(c1)S(=O)(=O)c1c(C)cc(C)nc1Nc1c(C)cc(C)cc1C
COC(=O)c1cccc(COc2ccc(cc2)S(=O)(=O)c2ccc(C)nc2Nc2c(C)cc(C)cc2C)c1
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(CO)cc2)c(C)c1
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCc3cccc(c3)C#N)cc2)c(C)c1
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1
CCc1ccc(cc1)S(=O)(=O)c1ccc(C)nc1Nc1c(C)cc(C)cc1C
Cc1ccc(cc1)S(=O)(=O)c1ccc(C)nc1Nc1c(C)cc(C)cc1C
Cc1cc(C)c(Nc2nc(C)cc(C)c2S(=O)(=O)c2ccccc2C)c(C)c1
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCCCCC#N)cc2)c(C)c1
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCc3ccccn3)cc2)c(C)c1
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2cccc(OCc3ccccc3)c2)c(C)c1
CCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(16.66,-44.12,;18.18,-43.85,;19.17,-45.03,;20.68,-44.76,;21.21,-43.31,;20.22,-42.13,;20.74,-40.69,;19.75,-39.51,;18.24,-39.78,;17.71,-41.24,;18.71,-42.41,;18.65,-46.48,;19.64,-47.66,;19.27,-49.15,;17.84,-49.73,;20.57,-49.96,;21.75,-48.98,;23.29,-48.87,;24.28,-50.05,;25.79,-49.78,;26.31,-48.33,;26.78,-50.95,;26.25,-52.41,;27.24,-53.59,;24.73,-52.67,;23.75,-51.49,;22.23,-51.76,;23.67,-47.38,;25.03,-46.66,;25.09,-45.11,;23.77,-44.29,;22.41,-45.01,;22.35,-46.55,;21.17,-47.55,)|
CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(6.48,-8.21,;7.47,-9.39,;8.99,-9.12,;9.98,-10.3,;11.5,-10.03,;12.02,-8.58,;13.19,-7.59,;11.74,-7.06,;9.46,-11.74,;10.45,-12.92,;10.08,-14.42,;8.65,-15,;11.39,-15.23,;12.57,-14.24,;14.11,-14.13,;15.1,-15.31,;16.6,-15.05,;17.12,-13.6,;17.6,-16.22,;17.07,-17.68,;18.05,-18.85,;15.55,-17.94,;14.56,-16.77,;13.05,-17.02,;14.48,-12.65,;15.85,-11.92,;15.91,-10.37,;14.59,-9.55,;13.22,-10.28,;13.17,-11.82,;11.98,-12.82,)|
CCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(17.67,-28.23,;19.19,-27.96,;20.18,-29.14,;21.69,-28.87,;22.22,-27.42,;23.39,-26.43,;21.94,-25.9,;19.66,-30.58,;20.65,-31.76,;20.28,-33.26,;18.85,-33.84,;21.59,-34.07,;22.76,-33.08,;24.3,-32.97,;25.29,-34.15,;26.8,-33.88,;27.32,-32.44,;27.79,-35.06,;27.26,-36.51,;28.25,-37.69,;25.74,-36.78,;24.76,-35.6,;23.24,-35.86,;24.68,-31.49,;26.04,-30.76,;26.1,-29.22,;24.78,-28.39,;23.42,-29.12,;23.37,-30.66,;22.18,-31.65,)|
CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(6.49,-8.21,;7.48,-9.39,;8.99,-9.12,;9.99,-10.29,;11.5,-10.02,;12.03,-8.57,;13.19,-7.59,;11.74,-7.06,;9.46,-11.74,;10.45,-12.92,;10.09,-14.42,;8.66,-14.99,;11.39,-15.23,;12.57,-14.24,;14.11,-14.13,;15.1,-15.31,;16.6,-15.05,;17.13,-13.6,;17.6,-16.22,;17.07,-17.67,;18.06,-18.85,;15.56,-17.94,;14.56,-16.76,;13.05,-17.03,;14.48,-12.65,;15.85,-11.92,;15.91,-10.37,;14.59,-9.55,;13.23,-10.27,;13.17,-11.81,;11.99,-12.81,)|
CN(CCc1ccccn1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(5.34,.35,;6.34,-.82,;7.85,-.56,;8.38,.89,;7.39,2.07,;5.89,1.8,;4.9,2.98,;5.43,4.43,;6.95,4.69,;7.93,3.51,;5.81,-2.27,;6.8,-3.44,;6.43,-4.94,;5.01,-5.52,;7.74,-5.75,;8.92,-4.76,;10.46,-4.65,;11.45,-5.84,;12.96,-5.57,;13.48,-4.12,;13.95,-6.74,;13.42,-8.2,;14.41,-9.37,;11.9,-8.46,;10.91,-7.28,;9.4,-7.54,;10.83,-3.17,;12.2,-2.44,;12.26,-.9,;10.88,-.01,;9.58,-.8,;9.52,-2.34,;8.34,-3.33,)|
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCC(Cc2ccccc2)C1 |w:26.30,(9.32,-16.47,;10.75,-15.89,;12.05,-16.7,;13.23,-15.71,;14.77,-15.61,;15.76,-16.79,;17.27,-16.52,;17.79,-15.07,;18.26,-17.69,;17.73,-19.15,;18.72,-20.33,;16.21,-19.41,;15.23,-18.23,;13.71,-18.5,;15.15,-14.12,;16.51,-13.4,;16.57,-11.85,;15.2,-10.96,;13.89,-11.75,;13.83,-13.29,;12.65,-14.28,;11.12,-14.39,;10.12,-13.22,;10.65,-11.77,;12.12,-11.35,;12.17,-9.81,;10.73,-9.28,;10.3,-7.81,;8.8,-7.44,;8.38,-5.96,;6.89,-5.59,;5.82,-6.7,;6.25,-8.18,;7.74,-8.54,;9.78,-10.5,)|
CN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)Cc1cccnc1 |(19,-35.87,;20,-37.03,;19.48,-38.48,;20.47,-39.66,;20.1,-41.15,;18.67,-41.73,;21.41,-41.97,;22.58,-40.98,;24.12,-40.87,;25.11,-42.05,;26.62,-41.78,;27.14,-40.33,;27.61,-42.95,;27.08,-44.41,;28.07,-45.59,;25.56,-44.68,;24.58,-43.5,;23.06,-43.76,;24.5,-39.38,;25.86,-38.66,;25.92,-37.11,;24.55,-36.22,;23.24,-37.01,;23.19,-38.56,;22,-39.55,;21.51,-36.77,;22.04,-35.33,;23.56,-35.07,;24.09,-33.63,;23.11,-32.44,;21.58,-32.71,;21.06,-34.16,)|
Cc1nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n2c1CN(CC1CC1)CC1CC1 |(19.36,-18.14,;20.79,-17.56,;22.1,-18.37,;23.28,-17.38,;24.81,-17.27,;25.8,-18.45,;27.31,-18.18,;27.83,-16.74,;28.3,-19.36,;27.78,-20.81,;28.77,-21.99,;26.26,-21.08,;25.27,-19.9,;23.75,-20.16,;25.19,-15.79,;26.56,-15.06,;26.61,-13.51,;25.29,-12.69,;23.93,-13.42,;23.88,-14.96,;22.7,-15.95,;21.16,-16.06,;20.17,-14.88,;20.69,-13.44,;22.21,-13.17,;22.73,-11.72,;23.9,-10.73,;22.45,-10.2,;19.7,-12.26,;18.18,-12.53,;16.74,-12.01,;17.01,-13.53,)|
COCC(COC)NCc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(14.24,-12.4,;13.71,-13.85,;14.7,-15.03,;14.18,-16.48,;12.66,-16.75,;11.67,-15.57,;10.16,-15.84,;15.17,-17.66,;14.65,-19.1,;15.64,-20.28,;15.27,-21.78,;13.85,-22.35,;16.58,-22.59,;17.76,-21.6,;19.3,-21.49,;20.29,-22.67,;21.79,-22.4,;22.32,-20.95,;22.78,-23.58,;22.26,-25.03,;23.25,-26.21,;20.74,-25.3,;19.75,-24.12,;18.23,-24.38,;19.67,-20,;21.04,-19.28,;21.1,-17.73,;19.72,-16.84,;18.41,-17.64,;18.36,-19.18,;17.18,-20.17,)|
CCCCN(CCCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(3.39,-10.54,;2.87,-11.99,;1.35,-12.26,;.83,-13.7,;-.68,-13.98,;-1.67,-12.8,;-3.19,-13.07,;-4.18,-11.89,;-5.69,-12.16,;-1.21,-15.42,;-.22,-16.6,;-.58,-18.09,;-2.01,-18.67,;.72,-18.9,;1.9,-17.92,;3.44,-17.81,;4.42,-18.98,;5.93,-18.71,;6.45,-17.27,;6.92,-19.89,;6.39,-21.35,;7.39,-22.52,;4.88,-21.61,;3.89,-20.43,;2.38,-20.69,;3.81,-16.33,;5.17,-15.6,;5.24,-14.05,;3.92,-13.23,;2.56,-13.96,;2.5,-15.49,;1.32,-16.49,)|
CCN(CC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(-5.9,3.18,;-6.5,1.76,;-8.03,1.57,;-8.9,2.84,;-10.43,2.72,;-8.55,.12,;-7.56,-1.06,;-7.93,-2.55,;-9.36,-3.13,;-6.62,-3.36,;-5.44,-2.38,;-3.91,-2.27,;-2.92,-3.45,;-1.41,-3.18,;-.89,-1.73,;-.42,-4.35,;-.94,-5.81,;.05,-6.99,;-2.46,-6.07,;-3.45,-4.89,;-4.97,-5.16,;-3.53,-.78,;-2.16,-.06,;-2.11,1.49,;-3.48,2.38,;-4.79,1.59,;-4.84,.05,;-6.02,-.95,)|
CCCN(CC1CCC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(24.76,4.65,;23.25,4.38,;22.72,2.93,;21.2,2.66,;20.42,3.99,;18.88,3.97,;17.77,5.05,;16.7,3.94,;17.8,2.87,;20.68,1.22,;21.67,.04,;21.3,-1.46,;19.88,-2.04,;22.61,-2.27,;23.79,-1.28,;25.33,-1.17,;26.32,-2.35,;27.82,-2.08,;28.35,-.64,;28.81,-3.26,;28.29,-4.71,;29.28,-5.89,;26.77,-4.98,;25.78,-3.8,;24.27,-4.06,;25.7,.32,;27.07,1.04,;27.13,2.59,;25.81,3.41,;24.45,2.68,;24.39,1.14,;23.21,.15,)|
CCN(CC1CCC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(-10.49,-43.18,;-8.98,-42.91,;-7.99,-44.09,;-6.47,-43.82,;-5.95,-42.37,;-4.56,-41.72,;-5.21,-40.33,;-6.61,-40.98,;-8.51,-45.54,;-7.52,-46.72,;-7.89,-48.21,;-9.31,-48.79,;-6.58,-49.02,;-5.4,-48.04,;-3.86,-47.93,;-2.87,-49.11,;-1.37,-48.84,;-.84,-47.39,;-.38,-50.01,;-.9,-51.47,;.09,-52.65,;-2.42,-51.73,;-3.41,-50.55,;-4.92,-50.82,;-3.49,-46.44,;-2.12,-45.72,;-2.06,-44.17,;-3.38,-43.34,;-4.74,-44.07,;-4.8,-45.61,;-5.98,-46.6,)|
CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)Cc1ccccc1 |(29.67,-32.19,;30.67,-33.37,;32.18,-33.1,;33.17,-34.28,;32.65,-35.73,;33.64,-36.9,;33.27,-38.4,;31.85,-38.98,;34.58,-39.21,;35.76,-38.22,;37.3,-38.11,;38.29,-39.29,;39.79,-39.03,;40.32,-37.58,;40.78,-40.2,;40.26,-41.65,;41.25,-42.83,;38.74,-41.92,;37.75,-40.74,;36.23,-41,;37.67,-36.63,;39.04,-35.9,;39.1,-34.36,;37.78,-33.53,;36.41,-34.26,;36.36,-35.8,;35.18,-36.79,;34.69,-34.01,;35.21,-32.56,;36.73,-32.29,;37.25,-30.85,;36.26,-29.67,;34.73,-29.94,;34.22,-31.39,)|
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN(CC=C)CC=C |(-8.91,-17.58,;-7.48,-17,;-6.18,-17.81,;-5,-16.83,;-3.46,-16.72,;-2.47,-17.9,;-.96,-17.63,;-.44,-16.18,;.03,-18.8,;-.5,-20.26,;.49,-21.44,;-2.02,-20.52,;-3.01,-19.34,;-4.52,-19.61,;-3.09,-15.23,;-1.72,-14.51,;-1.66,-12.96,;-2.98,-12.14,;-4.34,-12.86,;-4.4,-14.4,;-5.58,-15.4,;-7.11,-15.51,;-8.11,-14.33,;-7.58,-12.88,;-8.58,-11.7,;-10.09,-11.97,;-11.08,-10.8,;-6.07,-12.61,;-5.54,-11.16,;-4.03,-10.89,)|
COCCN(CCOC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(34.7,2.75,;34.18,1.3,;32.67,1.02,;32.15,-.43,;30.63,-.71,;29.64,.46,;30.15,1.91,;29.15,3.08,;29.66,4.53,;30.11,-2.15,;31.1,-3.33,;30.73,-4.83,;29.31,-5.41,;32.04,-5.64,;33.22,-4.65,;34.76,-4.54,;35.75,-5.72,;37.25,-5.45,;37.78,-4.01,;38.24,-6.63,;37.72,-8.08,;38.71,-9.26,;36.2,-8.35,;35.21,-7.17,;33.69,-7.43,;35.13,-3.06,;36.5,-2.33,;36.56,-.78,;35.18,.1,;33.87,-.69,;33.82,-2.23,;32.64,-3.22,)|
CN(CCc1ccncc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(17.91,.48,;18.9,-.69,;20.42,-.43,;20.95,1.02,;19.96,2.2,;20.5,3.64,;19.51,4.82,;18,4.56,;17.47,3.1,;18.45,1.93,;18.38,-2.14,;19.37,-3.32,;19,-4.81,;17.58,-5.39,;20.31,-5.62,;21.49,-4.64,;23.03,-4.53,;24.02,-5.71,;25.52,-5.44,;26.05,-3.99,;26.51,-6.61,;25.99,-8.07,;26.98,-9.25,;24.47,-8.33,;23.48,-7.15,;21.97,-7.42,;23.4,-3.04,;24.77,-2.32,;24.83,-.77,;23.45,.12,;22.15,-.67,;22.09,-2.21,;20.91,-3.2,)|
CCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(30.5,-28.02,;32.01,-27.75,;33,-28.92,;34.52,-28.65,;35.04,-27.2,;36.21,-26.21,;34.76,-25.69,;32.48,-30.37,;33.47,-31.55,;33.1,-33.04,;31.68,-33.62,;34.41,-33.86,;35.59,-32.87,;37.13,-32.76,;38.12,-33.94,;39.62,-33.67,;40.15,-32.22,;40.61,-34.84,;40.09,-36.3,;41.08,-37.48,;38.57,-36.57,;37.58,-35.39,;36.07,-35.65,;37.5,-31.27,;38.87,-30.55,;38.93,-29,;37.61,-28.18,;36.25,-28.91,;36.19,-30.45,;35.01,-31.44,)|
CCCN(CC=C)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(2.74,3.94,;3.73,2.76,;5.25,3.03,;6.24,1.85,;7.76,2.12,;8.28,3.57,;9.8,3.84,;5.72,.4,;6.71,-.77,;6.34,-2.27,;4.91,-2.85,;7.65,-3.08,;8.83,-2.09,;10.36,-1.99,;11.35,-3.17,;12.86,-2.9,;13.38,-1.45,;13.85,-4.07,;13.33,-5.53,;14.32,-6.7,;11.81,-5.79,;10.82,-4.61,;9.3,-4.87,;10.74,-.5,;12.11,.22,;12.16,1.77,;10.84,2.6,;9.48,1.87,;9.43,.33,;8.25,-.66,)|
CCCCN(CC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(38.38,-42.11,;37.86,-43.56,;36.34,-43.83,;35.82,-45.28,;34.3,-45.55,;33.31,-44.37,;31.79,-44.64,;33.78,-46.99,;34.77,-48.17,;34.4,-49.67,;32.98,-50.25,;35.71,-50.48,;36.89,-49.49,;38.43,-49.38,;39.42,-50.56,;40.92,-50.29,;41.45,-48.84,;41.91,-51.47,;41.39,-52.92,;42.38,-54.1,;39.87,-53.19,;38.88,-52.01,;37.36,-52.27,;38.8,-47.89,;40.17,-47.17,;40.23,-45.62,;38.85,-44.73,;37.54,-45.53,;37.49,-47.07,;36.31,-48.06,)|
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCCC1CCc1ccccc1 |w:27.32,(24.88,-21.33,;26.31,-20.75,;27.62,-21.56,;28.8,-20.57,;30.33,-20.47,;31.32,-21.65,;32.83,-21.38,;33.35,-19.93,;33.82,-22.55,;33.3,-24.01,;34.29,-25.19,;31.78,-24.27,;30.79,-23.09,;29.27,-23.36,;30.71,-18.98,;32.08,-18.26,;32.14,-16.71,;30.76,-15.82,;29.45,-16.61,;29.4,-18.15,;28.22,-19.14,;26.68,-19.25,;25.69,-18.08,;26.21,-16.63,;27.69,-16.21,;27.74,-14.67,;26.29,-14.15,;25.34,-15.36,;23.8,-15.31,;23.08,-13.96,;21.54,-13.91,;20.82,-12.55,;19.28,-12.5,;18.47,-13.81,;19.2,-15.17,;20.74,-15.21,)|
CCCN(CCC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(31.17,-11.99,;32.16,-13.17,;33.68,-12.9,;34.67,-14.08,;36.19,-13.81,;36.71,-12.36,;38.23,-12.09,;39.67,-12.61,;39.4,-11.1,;34.15,-15.53,;35.14,-16.7,;34.77,-18.2,;33.34,-18.78,;36.08,-19.01,;37.26,-18.02,;38.8,-17.92,;39.78,-19.1,;41.29,-18.83,;41.81,-17.38,;42.28,-20,;41.76,-21.46,;42.75,-22.64,;40.24,-21.72,;39.25,-20.54,;37.73,-20.81,;39.17,-16.43,;40.54,-15.71,;40.59,-14.16,;39.27,-13.33,;37.91,-14.06,;37.86,-15.6,;36.68,-16.59,)|
CCCN(CC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)C(F)(F)F |(-3.33,4.87,;-4.85,4.6,;-5.37,3.15,;-6.89,2.88,;-7.68,4.2,;-9.22,4.18,;-10.56,4.94,;-10.54,3.4,;-7.41,1.43,;-6.42,.25,;-6.79,-1.24,;-5.48,-2.06,;-4.31,-1.07,;-2.77,-.96,;-1.78,-2.14,;-.27,-1.87,;.25,-.42,;.72,-3.04,;.19,-4.5,;1.18,-5.68,;-1.32,-4.76,;-2.31,-3.59,;-3.83,-3.85,;-2.39,.53,;-1.03,1.25,;-.97,2.8,;-2.29,3.62,;-3.65,2.9,;-3.7,1.36,;-4.89,.36,;-8.22,-1.82,;-9.71,-2.21,;-7.74,-3.28,;-8.7,-.36,)|
CCCN(CC=C)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(-10.99,4.06,;-10,2.89,;-8.48,3.16,;-7.49,1.98,;-5.97,2.25,;-5.45,3.7,;-3.93,3.97,;-8.01,.53,;-7.02,-.65,;-7.39,-2.14,;-8.82,-2.72,;-6.08,-2.95,;-4.91,-1.97,;-3.37,-1.86,;-2.38,-3.04,;-.87,-2.77,;-.35,-1.32,;.12,-3.94,;-.41,-5.4,;.59,-6.58,;-1.92,-5.66,;-2.91,-4.48,;-4.43,-4.75,;-2.99,-.37,;-1.62,.35,;-1.57,1.9,;-2.89,2.72,;-4.25,2,;-4.3,.46,;-5.48,-.54,)|
CCCN(CC1CCC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(16.3,-32.74,;17.29,-33.92,;18.81,-33.65,;19.8,-34.83,;21.32,-34.56,;21.84,-33.11,;23.23,-32.46,;22.58,-31.07,;21.19,-31.72,;19.28,-36.27,;20.27,-37.45,;19.9,-38.95,;18.47,-39.53,;21.21,-39.76,;22.39,-38.77,;23.93,-38.66,;24.92,-39.84,;26.42,-39.57,;26.94,-38.13,;27.41,-40.75,;26.89,-42.2,;27.88,-43.38,;25.37,-42.47,;24.38,-41.29,;22.86,-41.55,;24.3,-37.18,;25.67,-36.45,;25.73,-34.9,;24.41,-34.08,;23.04,-34.81,;22.99,-36.35,;21.81,-37.34,)|
CCCN(CCC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(-12.12,-26.35,;-11.13,-27.53,;-9.61,-27.26,;-8.62,-28.43,;-7.1,-28.16,;-6.58,-26.71,;-5.06,-26.44,;-3.62,-26.97,;-3.89,-25.45,;-9.14,-29.88,;-8.15,-31.06,;-8.52,-32.55,;-9.95,-33.13,;-7.21,-33.37,;-6.03,-32.38,;-4.5,-32.27,;-3.51,-33.45,;-2,-33.18,;-1.48,-31.73,;-1.01,-34.35,;-1.53,-35.81,;-.54,-36.99,;-3.05,-36.08,;-4.04,-34.9,;-5.56,-35.16,;-4.12,-30.78,;-2.75,-30.06,;-2.7,-28.51,;-4.02,-27.69,;-5.38,-28.42,;-5.43,-29.96,;-6.61,-30.95,)|
CN(CCc1cccnc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(-9.05,.26,;-8.05,-.9,;-6.54,-.64,;-6.01,.8,;-7,1.99,;-8.51,1.71,;-9.49,2.89,;-8.96,4.34,;-7.44,4.61,;-6.46,3.42,;-8.58,-2.35,;-7.59,-3.53,;-7.96,-5.02,;-9.38,-5.6,;-6.65,-5.84,;-5.47,-4.85,;-3.93,-4.74,;-2.94,-5.92,;-1.44,-5.65,;-.91,-4.2,;-.44,-6.82,;-.97,-8.28,;.02,-9.46,;-2.49,-8.55,;-3.48,-7.37,;-4.99,-7.63,;-3.56,-3.25,;-2.19,-2.53,;-2.13,-.98,;-3.51,-.09,;-4.81,-.89,;-4.87,-2.43,;-6.05,-3.42,)|
CCN(CCC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(2.87,-43.39,;4.38,-43.12,;5.38,-44.29,;6.89,-44.02,;7.42,-42.58,;8.93,-42.3,;10.38,-42.83,;10.11,-41.31,;4.85,-45.74,;5.85,-46.92,;5.48,-48.41,;4.05,-48.99,;6.78,-49.23,;7.96,-48.24,;9.5,-48.13,;10.49,-49.31,;12,-49.04,;12.52,-47.59,;12.99,-50.22,;12.46,-51.67,;13.45,-52.85,;10.94,-51.94,;9.96,-50.76,;8.44,-51.02,;9.87,-46.64,;11.24,-45.92,;11.3,-44.37,;9.98,-43.55,;8.62,-44.28,;8.56,-45.82,;7.38,-46.81,)|
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCCC1Cc1ccccc1 |w:27.32,(21.49,-4.05,;22.92,-3.48,;24.23,-4.29,;25.41,-3.3,;26.95,-3.19,;27.94,-4.37,;29.44,-4.1,;29.97,-2.65,;30.43,-5.28,;29.91,-6.73,;30.9,-7.91,;28.39,-7,;27.4,-5.82,;25.88,-6.08,;27.32,-1.7,;28.69,-.98,;28.75,.57,;27.37,1.46,;26.06,.66,;26.01,-.88,;24.83,-1.87,;23.29,-1.98,;22.3,-.8,;22.82,.64,;24.3,1.07,;24.35,2.61,;22.9,3.13,;21.96,1.91,;20.42,1.96,;19.69,3.32,;20.5,4.63,;19.78,5.98,;18.24,6.03,;17.43,4.71,;18.16,3.36,)|
CN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)Cc1ccccn1 |(33.71,-35.43,;34.71,-36.6,;34.18,-38.04,;35.17,-39.22,;34.8,-40.72,;33.38,-41.3,;36.11,-41.53,;37.29,-40.54,;38.83,-40.43,;39.82,-41.61,;41.32,-41.34,;41.85,-39.9,;42.32,-42.52,;41.79,-43.97,;42.78,-45.15,;40.27,-44.24,;39.28,-43.06,;37.77,-43.32,;39.2,-38.95,;40.57,-38.22,;40.63,-36.67,;39.25,-35.78,;37.95,-36.58,;37.89,-38.12,;36.71,-39.11,;36.22,-36.34,;36.75,-34.89,;38.27,-34.64,;38.8,-33.19,;37.81,-32.01,;36.29,-32.28,;35.77,-33.72,)|
Cc1nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n2c1CN(CC=C)CC=C |(4.62,-18.05,;6.05,-17.47,;7.36,-18.28,;8.53,-17.3,;10.07,-17.19,;11.06,-18.37,;12.57,-18.1,;13.09,-16.65,;13.56,-19.27,;13.03,-20.73,;14.03,-21.91,;11.52,-20.99,;10.53,-19.81,;9.01,-20.08,;10.45,-15.7,;11.82,-14.98,;11.87,-13.43,;10.55,-12.61,;9.19,-13.33,;9.14,-14.87,;7.96,-15.87,;6.42,-15.98,;5.43,-14.8,;5.95,-13.35,;4.96,-12.17,;3.44,-12.44,;2.45,-11.27,;7.47,-13.08,;7.99,-11.63,;9.51,-11.36,)|
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCC(CCc2ccccc2)C1 |w:26.30,(7.31,-23,;8.74,-22.42,;10.04,-23.23,;11.22,-22.24,;12.76,-22.13,;13.75,-23.32,;15.26,-23.05,;15.78,-21.6,;16.25,-24.22,;15.72,-25.68,;16.71,-26.85,;14.2,-25.94,;13.22,-24.76,;11.7,-25.02,;13.14,-20.65,;14.5,-19.92,;14.56,-18.38,;13.19,-17.49,;11.88,-18.28,;11.82,-19.82,;10.64,-20.81,;9.11,-20.92,;8.11,-19.75,;8.64,-18.3,;10.11,-17.88,;10.16,-16.34,;8.72,-15.81,;8.29,-14.33,;6.79,-13.96,;6.36,-12.49,;7.43,-11.38,;7.01,-9.9,;5.51,-9.53,;4.44,-10.65,;4.87,-12.12,;7.77,-17.03,)|
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCOCC1 |(-8.79,-40.1,;-7.37,-39.52,;-6.06,-40.33,;-4.88,-39.35,;-3.34,-39.24,;-2.35,-40.42,;-.84,-40.15,;-.32,-38.7,;.15,-41.32,;-.38,-42.78,;.61,-43.96,;-1.9,-43.04,;-2.89,-41.86,;-4.4,-42.13,;-2.97,-37.75,;-1.6,-37.03,;-1.54,-35.48,;-2.92,-34.59,;-4.22,-35.38,;-4.28,-36.92,;-5.46,-37.91,;-7,-38.03,;-7.99,-36.85,;-7.46,-35.4,;-5.95,-35.14,;-5.43,-33.7,;-6.41,-32.52,;-7.93,-32.78,;-8.46,-34.23,)|
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCC(C1)c1ccccc1 |w:26.32,(5.93,-4.83,;7.36,-4.25,;8.67,-5.07,;9.84,-4.08,;11.38,-3.97,;12.37,-5.15,;13.88,-4.88,;14.4,-3.43,;14.87,-6.05,;14.34,-7.51,;15.34,-8.69,;12.83,-7.78,;11.84,-6.6,;10.32,-6.86,;11.76,-2.48,;13.13,-1.76,;13.18,-.21,;11.81,.68,;10.5,-.12,;10.45,-1.66,;9.26,-2.65,;7.73,-2.76,;6.74,-1.58,;7.26,-.13,;8.73,.29,;8.78,1.83,;7.34,2.35,;6.39,1.14,;6.91,3.83,;7.99,4.94,;7.56,6.4,;6.07,6.78,;5,5.67,;5.43,4.19,)|
CCCN(CCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(17.27,3.89,;18.26,2.71,;19.78,2.99,;20.77,1.81,;22.28,2.08,;22.81,3.53,;24.32,3.8,;20.24,.36,;21.24,-.82,;20.87,-2.31,;19.44,-2.89,;22.17,-3.13,;23.35,-2.14,;24.89,-2.03,;25.88,-3.21,;27.39,-2.94,;27.91,-1.49,;28.38,-4.11,;27.85,-5.57,;28.84,-6.75,;26.33,-5.83,;25.35,-4.65,;23.83,-4.92,;25.27,-.54,;26.63,.18,;26.69,1.73,;25.37,2.55,;24.01,1.83,;23.95,.29,;22.77,-.71,)|
CCCC(C)NCc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |w:3.3,(-7.02,-13.67,;-5.56,-14.16,;-5.25,-15.67,;-3.8,-16.16,;-2.64,-15.14,;-3.49,-17.67,;-4.3,-18.98,;-3.57,-20.34,;-4.24,-21.73,;-5.76,-22,;-3.14,-22.79,;-1.78,-22.07,;-.25,-22.29,;.47,-23.65,;2,-23.7,;2.81,-22.39,;2.73,-25.05,;1.91,-26.36,;2.63,-27.72,;.37,-26.31,;-.35,-24.95,;-1.89,-24.89,;.43,-20.91,;1.91,-20.49,;2.29,-18.98,;1.13,-17.83,;-.31,-18.33,;-.68,-19.83,;-2.05,-20.55,)|
CCCN(CC1CCC1)Cc1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(11.68,4.65,;10.16,4.38,;9.64,2.93,;8.12,2.66,;7.34,3.99,;5.8,3.97,;4.69,5.05,;3.62,3.94,;4.72,2.87,;7.6,1.22,;8.59,.04,;8.22,-1.46,;6.8,-2.04,;5.58,-1.09,;9.53,-2.27,;10.71,-1.28,;12.25,-1.17,;13.24,-2.35,;14.74,-2.08,;15.27,-.64,;15.73,-3.26,;15.21,-4.71,;16.2,-5.89,;13.69,-4.98,;12.7,-3.8,;11.18,-4.06,;12.62,.32,;13.99,1.04,;14.05,2.59,;12.73,3.41,;11.36,2.68,;11.31,1.14,;10.13,.15,)|
Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCCC1c1ccccc1 |w:27.32,(37.46,-4.03,;38.89,-3.45,;40.2,-4.26,;41.38,-3.28,;42.92,-3.17,;43.9,-4.35,;45.41,-4.08,;45.93,-2.63,;46.4,-5.25,;45.88,-6.71,;46.87,-7.89,;44.36,-6.97,;43.37,-5.79,;41.85,-6.06,;43.29,-1.68,;44.66,-.96,;44.72,.59,;43.34,1.48,;42.03,.69,;41.98,-.85,;40.8,-1.84,;39.26,-1.95,;38.27,-.78,;38.79,.67,;40.27,1.09,;40.32,2.63,;38.87,3.16,;37.92,1.94,;36.39,1.99,;35.66,3.35,;34.13,3.39,;33.31,2.08,;34.05,.72,;35.59,.68,)|
CCCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(3.16,-28.04,;4.15,-29.22,;5.67,-28.95,;6.66,-30.13,;8.18,-29.86,;8.7,-28.41,;7.71,-27.23,;8.24,-25.78,;7.25,-24.61,;5.73,-24.88,;5.21,-26.33,;6.2,-27.51,;6.14,-31.58,;7.13,-32.75,;6.76,-34.25,;5.33,-34.83,;8.07,-35.06,;9.24,-34.07,;10.78,-33.96,;11.77,-35.15,;13.28,-34.88,;13.8,-33.43,;14.27,-36.05,;13.75,-37.5,;14.74,-38.68,;12.23,-37.77,;11.24,-36.59,;9.72,-36.85,;11.16,-32.48,;12.53,-31.75,;12.58,-30.21,;11.26,-29.38,;9.9,-30.11,;9.85,-31.65,;8.67,-32.64,)|
CN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)Cc1ccncc1 |(4.83,-35.64,;5.82,-36.8,;5.3,-38.25,;6.29,-39.43,;5.92,-40.92,;4.49,-41.5,;7.23,-41.74,;8.41,-40.75,;9.95,-40.64,;10.94,-41.82,;12.44,-41.55,;12.96,-40.1,;13.43,-42.73,;12.91,-44.18,;13.9,-45.36,;11.39,-44.45,;10.4,-43.27,;8.88,-43.53,;10.32,-39.15,;11.69,-38.43,;11.75,-36.88,;10.37,-35.99,;9.06,-36.79,;9.01,-38.33,;7.83,-39.32,;7.34,-36.54,;7.87,-35.1,;9.39,-34.84,;9.92,-33.4,;8.93,-32.21,;7.41,-32.48,;6.88,-33.93,)|
CCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(38.71,1.01,;38.18,-.44,;36.66,-.71,;35.88,.62,;34.34,.6,;33.55,1.92,;34.31,3.25,;33.52,4.58,;31.98,4.56,;31.23,3.2,;32.02,1.89,;36.14,-2.15,;37.13,-3.33,;36.76,-4.83,;35.34,-5.41,;38.07,-5.64,;39.25,-4.65,;40.79,-4.54,;41.78,-5.72,;43.28,-5.45,;43.81,-4.01,;44.27,-6.63,;43.75,-8.08,;44.74,-9.26,;42.23,-8.35,;41.24,-7.17,;39.73,-7.43,;41.16,-3.06,;42.53,-2.33,;42.59,-.78,;41.27,.04,;39.91,-.69,;39.85,-2.23,;38.67,-3.22,)|
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC1CCCC1
CC(C)C(Nc1nc(C)c(Oc2cc(C)ccn2)nc1C)c1ccccc1 |w:3.3|
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC(C)C
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(C)c1ccccc1 |w:19.21|
CCC(CC)Nc1nc(C)c(Oc2cc(C)ccn2)nc1C
CCc1nc(Nc2ncc(Cl)cc2Cl)c(CC)nc1NC(C)c1ccccc1 |w:20.22|
CCCN(CCC)c1nc(CC)c(Oc2cc(C)ccn2)nc1CC
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(CO)c1ccccc1 |w:19.20|
CCO[C@H]1Cc2ccccc2[C@@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC1CC1
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
CCC(CC)Nc1nc(CC)c(Nc2c(C)cc(C)c3nsnc23)nc1CC
CCC(CC)Nc1nc(CC)c(Nc2ncccc2[N+]([O-])=O)nc1CC
CCc1nc(Nc2cc(C)ccn2)c(CC)nc1NC(COC)COC
CCc1nc(Oc2ccccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
CCC(CC)Nc1nc(C)c(Nc2ncc(Cl)cc2Cl)nc1C
CCC(CC)Nc1nc(CC)c(Nc2c(Cl)cc(Cl)cc2Cl)nc1CC
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(COC)COC
CCO[C@@H]1Cc2ccccc2[C@@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
CCc1nc(Nc2ncc(Cl)cc2Cl)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
CCC(Nc1nc(CC)c(Nc2ncc(Cl)cc2Cl)nc1CC)c1ccccc1 |w:2.2|
CCC(CC)Nc1nc(CC)c(Nc2cccc(C)n2)nc1CC
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(COC(C)C)c1ccccc1 |w:19.20|
CCO[C@@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
CCN(c1ncc(Cl)cc1Cl)c1nc(CC)c(N[C@H]2[C@H](Cc3ccccc23)OCCF)nc1CC
Cc1ccnc(Oc2nc(C)c(N[C@H]3[C@H](Cc4ccccc34)Oc3nc(C)cnc3C)nc2C)c1
CCOCC(Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC)c1ccccc1 |w:4.4|
CC(C)O[C@H]1Cc2ccccc2[C@H]1Nc1nc(C)c(Oc2cc(C)ccn2)nc1C
CCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
CCC(Nc1nc(C)c(Oc2cc(C)ccn2)nc1C)c1ccccc1 |w:2.2|
CCC(CC)Nc1nc(CC)c(Nc2ccc(cn2)[N+]([O-])=O)nc1CC
CCC(CC)Nc1nc(CC)c(Nc2cc(C)ccn2)nc1CC
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(C(C)C)c1ccccc1 |w:19.20|
CCC(CC)Nc1nc(CC)c(Nc2ccc(Cl)cc2Cl)nc1CC
CCCN(CC1CC1)c1nc(C)c(Oc2cc(C)ccn2)nc1C
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2ncccc2C)nc1CC
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1[C@H](O)Cc2ccccc12
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(C)c(Oc2cc(C)ccn2)nc1C
CCCN(CCC)c1nc(C)c(Oc2cc(C)ccn2)nc1C
CCc1nc(Nc2ncc(Cl)cc2Cl)c(CC)nc1NC(COC)COC
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC(C)=O
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1NC(COC)c1ccccc1 |w:19.20|
CCC(Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC)c1ccccc1 |w:2.2|
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCO
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Nc2cc(C)ccn2)nc1CC
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cccc(C)c2)nc1CC
CCc1nc(N(C)[C@H]2[C@H](Cc3ccccc23)OC)c(CC)nc1Oc1cc(C)ccn1
CCC(CC)Nc1nc(CC)c(Nc2ccccn2)nc1CC
CCC(CC)Nc1nc(CC)c(Nc2ncc(Cl)cc2Cl)nc1CC
CCc1nc(Oc2cc(C)ncn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
CCC(Nc1nc(CC)c(Oc2ncccc2C)nc1CC)c1ccccc1 |w:2.2|
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(CC)ccn2)nc1CC
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC1CCOCC1
CCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC
CCC(CC)Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
CCC(CC)Nc1nc(CC)c(Nc2ccc(Cl)cc2)nc1CC
CCc1nc(N(C)c2ncc(Cl)cc2Cl)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cccc(C)n2)nc1CC
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2ccc(C)cn2)nc1CC
CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2)c2ccccc12
CCCNc1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(-3.83,-10.5,;-5.16,-11.28,;-5.15,-12.82,;-6.48,-13.59,;-6.47,-15.13,;-7.8,-15.91,;-9.13,-15.14,;-7.8,-17.45,;-6.47,-18.22,;-6.46,-19.76,;-7.8,-20.53,;-9.13,-19.76,;-7.8,-22.06,;-6.46,-22.83,;-6.46,-24.37,;-5.13,-22.06,;-5.13,-20.52,;-3.8,-19.74,;-2.47,-20.51,;-5.13,-17.44,;-3.81,-18.2,;-2.46,-17.43,;-2.47,-15.88,;-3.81,-15.12,;-5.13,-15.9,)|
CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)c2ccccc12
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCCC2)c2ccccc12 |(18.9,-27.83,;17.57,-28.6,;17.57,-30.14,;16.24,-30.92,;14.91,-30.16,;14.9,-28.62,;13.56,-27.85,;16.25,-32.46,;14.93,-33.23,;13.59,-32.46,;14.92,-34.77,;16.25,-35.54,;16.26,-37.08,;14.92,-37.85,;13.59,-37.08,;14.92,-39.39,;16.26,-40.16,;16.26,-41.7,;17.6,-39.38,;17.59,-37.84,;18.92,-37.07,;20.26,-37.83,;21.59,-37.06,;22.92,-37.82,;22.92,-39.36,;24.25,-40.12,;25.59,-39.35,;25.58,-37.81,;24.25,-37.04,;17.59,-34.77,;18.91,-35.53,;20.27,-34.76,;20.26,-33.21,;18.92,-32.45,;17.59,-33.22,)|
CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12 |(8.74,-42.13,;7.41,-42.91,;7.42,-44.45,;6.09,-45.22,;4.75,-44.46,;4.74,-42.92,;3.41,-42.16,;6.1,-46.76,;4.77,-47.53,;3.44,-46.77,;4.77,-49.08,;6.1,-49.85,;6.1,-51.38,;4.77,-52.15,;3.43,-51.38,;2.1,-52.15,;.77,-51.38,;2.1,-53.69,;4.77,-53.69,;6.1,-54.46,;6.11,-56,;4.78,-56.78,;3.44,-56.01,;4.78,-58.32,;7.44,-53.68,;7.43,-52.15,;8.76,-51.37,;10.1,-52.14,;7.44,-49.07,;8.76,-49.83,;10.11,-49.06,;10.1,-47.51,;8.76,-46.75,;7.44,-47.53,)|
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCC2)c2ccccc12 |(5.93,-26.92,;4.6,-27.7,;4.6,-29.24,;3.27,-30.01,;1.94,-29.25,;1.93,-27.71,;.59,-26.95,;3.28,-31.55,;1.96,-32.32,;.62,-31.55,;1.95,-33.87,;3.28,-34.64,;3.29,-36.17,;1.95,-36.94,;.62,-36.17,;1.95,-38.48,;3.29,-39.25,;3.29,-40.79,;4.63,-38.47,;4.62,-36.94,;5.95,-36.16,;7.29,-36.93,;8.62,-36.15,;9.95,-36.92,;10.13,-38.44,;11.64,-38.76,;12.4,-37.42,;11.37,-36.28,;4.62,-33.86,;5.94,-34.62,;7.3,-33.85,;7.29,-32.3,;5.95,-31.54,;4.62,-32.32,)|
CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2C)c2ccccc12
CCCN(CCn1ccnc1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(25.87,-11.85,;27.21,-12.62,;27.22,-14.16,;28.56,-14.92,;29.89,-14.14,;29.88,-12.6,;31.21,-11.83,;31.36,-10.29,;32.86,-9.96,;33.64,-11.29,;32.61,-12.44,;28.56,-16.46,;27.24,-17.23,;25.9,-16.46,;27.24,-18.78,;28.57,-19.55,;28.57,-21.08,;27.24,-21.85,;25.9,-21.08,;27.24,-23.39,;28.57,-24.16,;28.57,-25.7,;29.91,-23.38,;29.9,-21.84,;31.23,-21.07,;32.57,-21.84,;29.91,-18.77,;31.23,-19.53,;32.58,-18.76,;32.57,-17.21,;31.23,-16.45,;29.9,-17.22,)|
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCC(O)C2)c2ccccc12 |w:27.28,(26.97,-42.89,;25.64,-43.67,;25.65,-45.21,;24.32,-45.99,;22.98,-45.22,;22.98,-43.68,;21.64,-42.92,;24.33,-47.53,;23,-48.3,;21.67,-47.53,;23,-49.84,;24.33,-50.61,;24.34,-52.15,;23,-52.92,;21.67,-52.15,;23,-54.46,;24.34,-55.23,;24.34,-56.77,;25.67,-54.45,;25.67,-52.91,;27,-52.14,;28.33,-52.9,;29.66,-52.13,;31,-52.89,;31,-54.42,;32.33,-55.19,;33.66,-54.42,;33.66,-52.88,;34.99,-52.11,;32.32,-52.11,;25.67,-49.83,;26.99,-50.6,;28.34,-49.83,;28.33,-48.28,;27,-47.51,;25.67,-48.29,)|
CCCN(CCC)c1c(C)nc(-c2c(C)cc(OC)cc2C)c2ccccc12 |(23.41,-40.7,;22.08,-41.48,;22.09,-43.02,;20.76,-43.79,;19.42,-43.03,;19.42,-41.49,;18.08,-40.73,;20.77,-45.33,;19.44,-46.11,;18.11,-45.34,;19.44,-47.65,;20.77,-48.42,;20.78,-49.96,;22.11,-50.72,;23.44,-49.94,;22.11,-52.25,;20.78,-53.03,;20.78,-54.57,;19.45,-55.35,;19.44,-52.26,;19.44,-50.73,;18.11,-49.96,;22.11,-47.64,;23.43,-48.4,;24.78,-47.63,;24.77,-46.08,;23.44,-45.32,;22.11,-46.1,)|
COc1cc(C)cc(C)c1-c1nc(C)c(NCCN2CCCC2)c2ccccc12 |(9.33,-21.15,;7.99,-20.38,;6.66,-21.16,;6.67,-22.7,;5.33,-23.48,;5.34,-25.02,;4,-22.7,;4,-21.17,;2.66,-20.4,;5.33,-20.4,;5.33,-18.86,;4,-18.09,;4,-16.55,;2.67,-15.78,;5.33,-15.78,;5.32,-14.24,;6.65,-13.46,;6.64,-11.92,;7.97,-11.14,;9.38,-11.76,;10.4,-10.61,;9.63,-9.28,;8.12,-9.6,;6.67,-16.54,;7.99,-15.76,;9.33,-16.52,;9.34,-18.08,;7.99,-18.84,;6.67,-18.08,)|
CCCN(CCC)c1c(C)nc(-c2ccccc2Cl)c2ccccc12
CCCN(CCC)c1cnc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(-3.94,5.53,;-5.27,4.76,;-5.26,3.22,;-6.59,2.44,;-7.93,3.2,;-7.94,4.74,;-9.27,5.51,;-6.58,.9,;-7.91,.13,;-7.91,-1.42,;-6.58,-2.19,;-6.58,-3.72,;-7.91,-4.49,;-9.25,-3.72,;-7.91,-6.03,;-6.58,-6.8,;-6.57,-8.34,;-5.24,-6.02,;-5.25,-4.49,;-3.91,-3.71,;-2.58,-4.48,;-5.24,-1.41,;-3.92,-2.17,;-2.57,-1.4,;-2.58,.15,;-3.92,.91,;-5.24,.14,)|
CCCN(CC1CC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(14.99,5.95,;16.33,5.19,;16.34,3.65,;17.67,2.88,;19,3.66,;19,5.2,;19.77,6.53,;18.23,6.52,;17.68,1.34,;16.36,.57,;15.02,1.34,;16.35,-.97,;17.68,-1.74,;17.69,-3.28,;16.35,-4.05,;15.02,-3.28,;16.35,-5.59,;17.69,-6.36,;17.69,-7.9,;19.03,-5.58,;19.02,-4.04,;20.35,-3.27,;21.69,-4.03,;19.02,-.96,;20.34,-1.73,;21.7,-.96,;21.69,.59,;20.35,1.35,;19.02,.58,)|
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCN(C)CC2)c2ccccc12 |(31.72,-27.52,;30.39,-28.3,;30.4,-29.84,;29.07,-30.61,;27.73,-29.85,;27.73,-28.31,;26.39,-27.54,;29.08,-32.15,;27.75,-32.92,;26.42,-32.15,;27.75,-34.47,;29.08,-35.24,;29.09,-36.77,;27.75,-37.54,;26.42,-36.77,;27.75,-39.08,;29.09,-39.85,;29.09,-41.39,;30.42,-39.07,;30.42,-37.54,;31.75,-36.76,;33.08,-37.53,;34.41,-36.75,;35.75,-37.52,;35.75,-39.05,;37.08,-39.82,;38.41,-39.05,;39.75,-39.82,;38.41,-37.51,;37.07,-36.73,;30.42,-34.46,;31.74,-35.22,;33.09,-34.45,;33.08,-32.9,;31.75,-32.14,;30.42,-32.92,)|
CCCN(CCN1CCCC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(14.6,-12.37,;15.93,-13.14,;15.94,-14.68,;17.28,-15.44,;18.61,-14.67,;18.6,-13.13,;19.93,-12.35,;21.34,-12.96,;22.36,-11.81,;21.59,-10.48,;20.08,-10.81,;17.29,-16.98,;15.96,-17.75,;14.63,-16.98,;15.96,-19.3,;17.29,-20.07,;17.29,-21.6,;15.96,-22.37,;14.62,-21.6,;15.96,-23.91,;17.29,-24.68,;17.3,-26.22,;18.63,-23.9,;18.62,-22.37,;19.96,-21.59,;21.29,-22.36,;18.63,-19.29,;19.95,-20.05,;21.3,-19.28,;21.29,-17.73,;19.95,-16.97,;18.63,-17.75,)|
CCCN(CCC)c1c(C)nc(-c2ccc(OC(F)F)cc2OC)c2ccccc12
CCCN(CCC)c1c(C)nc(-c2ccccc2)c2ccccc12
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(18.7,-17.27,;20.04,-16.5,;21.37,-17.27,;22.7,-16.5,;22.7,-14.96,;21.37,-14.19,;21.37,-12.65,;24.04,-17.26,;25.36,-16.49,;25.36,-14.95,;26.7,-17.26,;26.71,-18.81,;28.04,-19.58,;28.04,-21.12,;26.71,-21.89,;29.37,-21.89,;30.71,-21.11,;32.04,-21.88,;30.7,-19.57,;29.37,-18.8,;29.36,-17.26,;30.69,-16.49,;25.37,-19.58,;25.37,-21.11,;24.05,-21.88,;22.71,-21.11,;22.71,-19.58,;24.04,-18.81,)|
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCC(O)CC2)c2ccccc12 |(11.5,-41.67,;10.17,-42.45,;10.18,-43.99,;8.85,-44.76,;7.51,-44,;7.51,-42.46,;6.17,-41.69,;8.86,-46.3,;7.53,-47.07,;6.2,-46.3,;7.53,-48.62,;8.86,-49.39,;8.87,-50.92,;7.53,-51.69,;6.2,-50.92,;7.53,-53.23,;8.87,-54,;8.87,-55.54,;10.2,-53.22,;10.2,-51.69,;11.53,-50.91,;12.86,-51.68,;14.2,-50.9,;15.53,-51.67,;15.53,-53.2,;16.86,-53.96,;18.19,-53.2,;19.53,-53.97,;18.19,-51.65,;16.86,-50.88,;10.2,-48.61,;11.52,-49.37,;12.87,-48.6,;12.86,-47.05,;11.53,-46.29,;10.2,-47.06,)|
COc1cc(C)cc(C)c1-c1nc(C)c(N(CC2CC2)CC2CC2)c2ccccc12 |(33.37,-4.76,;32.04,-3.99,;30.71,-4.77,;30.71,-6.3,;29.38,-7.08,;29.38,-8.62,;28.04,-6.31,;28.04,-4.77,;26.71,-4,;29.38,-4,;29.37,-2.47,;28.04,-1.7,;28.04,-.15,;26.71,.62,;29.37,.62,;29.36,2.16,;30.69,2.93,;30.68,4.47,;31.45,5.8,;29.91,5.8,;28.02,2.92,;28.02,4.46,;28.78,5.79,;27.24,5.79,;30.71,-.15,;32.03,.63,;33.37,-.13,;33.38,-1.68,;32.03,-2.45,;30.71,-1.69,)|
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN(C)C)c2ccccc12 |(-5.67,-26.6,;-7,-27.38,;-7,-28.92,;-8.33,-29.7,;-9.66,-28.93,;-9.67,-27.39,;-11.01,-26.63,;-8.32,-31.24,;-9.65,-32.01,;-10.98,-31.24,;-9.65,-33.55,;-8.32,-34.32,;-8.31,-35.86,;-9.65,-36.63,;-10.98,-35.86,;-9.65,-38.17,;-8.31,-38.94,;-8.31,-40.48,;-6.97,-38.16,;-6.98,-36.62,;-5.65,-35.85,;-4.31,-36.61,;-2.98,-35.84,;-1.65,-36.6,;-.32,-35.83,;-1.64,-38.14,;-6.98,-33.54,;-5.66,-34.31,;-4.31,-33.54,;-4.32,-31.99,;-5.65,-31.23,;-6.98,-32,)|
CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2CC)c2ccccc12
CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(8.99,5.66,;7.66,4.88,;7.67,3.34,;6.34,2.57,;5,3.33,;4.99,4.87,;3.66,5.63,;6.34,1.03,;5.02,.26,;3.68,1.03,;2.35,.25,;5.02,-1.29,;6.35,-2.06,;6.35,-3.59,;5.02,-4.36,;3.68,-3.59,;5.02,-5.9,;6.35,-6.67,;6.36,-8.21,;7.69,-5.89,;7.68,-4.36,;9.01,-3.58,;10.35,-4.35,;7.69,-1.28,;9.01,-2.04,;10.36,-1.27,;10.35,.28,;9.01,1.04,;7.68,.26,)|
CCCN(CCC)c1c(C)nc(-c2cccc(Cl)c2)c2ccccc12
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCOCC2)c2ccccc12 |(-4.87,-42.46,;-6.2,-43.24,;-6.19,-44.78,;-7.52,-45.55,;-8.86,-44.79,;-8.87,-43.25,;-10.21,-42.48,;-7.52,-47.09,;-8.84,-47.86,;-10.18,-47.09,;-8.84,-49.41,;-7.51,-50.18,;-7.51,-51.71,;-8.84,-52.48,;-10.18,-51.71,;-8.84,-54.02,;-7.51,-54.79,;-7.51,-56.33,;-6.17,-54.01,;-6.18,-52.48,;-4.85,-51.7,;-3.51,-52.47,;-2.18,-51.69,;-.84,-52.46,;-.85,-53.99,;.48,-54.76,;1.82,-53.99,;1.82,-52.45,;.48,-51.67,;-6.17,-49.4,;-4.85,-50.16,;-3.5,-49.39,;-3.51,-47.84,;-4.85,-47.08,;-6.18,-47.85,)|
CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)c2ccccc12
CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2C)c2ccccc12
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Br)cc1Br
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Br)cc1CC
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Cl)cc1Br
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Br)cc1Cl
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(I)cc1C
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(C)cc1C
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)(C)C
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Br)cc1C
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(C)cc1Br
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(C)cc1Cl
CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Cl)cc1C
CCCCN(CC)c1cc(C)nc2N(CC(=O)N(C)c12)c1ccc(Br)cc1Br
CC(C)c1ccc(N2CC(=O)Nc3c(cc(C)nc23)N(C)C)c(Br)c1
CCN(C)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)C
CCCN(CCC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)C
CC(C)c1ccc(N2CC(=O)N(CCF)c3c(cc(C)nc23)N(C)C)c(Br)c1
CCN(CC)c1cc(C)nc2N(CC(=O)N(CCF)c12)c1ccc(cc1Br)C(C)C
CC(C)c1ccc(N2CC(=O)N(C\C=C\CF)c3c(cc(C)nc23)N(C)C)c(Br)c1
CC(C)c1ccc(N2CC(=O)N(CCCCF)c3c(cc(C)nc23)N(C)C)c(Br)c1
CCN(C)c1cc(C)nc2N(CC(=O)N(CCCCF)c12)c1ccc(cc1Br)C(C)C
CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|
CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O
CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)N(C)C(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O
CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O
CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|
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CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(C)(C)NC(=O)C(C)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(C)C(=O)NC(C(C)CC)C(N)=O
CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(Cc2ccc(NC(N)=O)cc2)NC(=O)C(Cc2ccc(NC(=O)C3CC(=O)NC(=O)N3)cc2)NC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(O)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(N)=O
CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|
CCCN(CCC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cccc3C)n(C)c12
CCCN(CCC)c1cccc2nc(Nc3ccc(C)cc3C)n(C)c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)n(-c3ccccc3)c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)n(C(C)C)c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)n(C)c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)[nH]c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)sc12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)oc12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(Cl)cc3C(C)C)n(C)c12
CCN(CC)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12
CCCCN(CCCC)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12
CCN(C(C)C)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12
COCCN(CCOC)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12
CCCN(CCC)c1c(Cl)cc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCCN(CCC)c1c(Cl)ccc2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCCN(CCC)c1ccc(C#N)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCN(CC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCN(CC)c1ccc(C#N)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCN(CC)c1ccc(C)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCN(CC)c1ccc(-c2ccccc2)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCN(CC)c1ccc(OC)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCC(CC)Cn1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
CCC(CC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
CCCC(CCC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C |r|
CC[C@H](COC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r|
COCC(COC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O
COc1cc(C)c(Nc2nc(Cl)cn([C@@H](CO)C3CC3)c2=O)cc1C |r|
CCC(CC)Cn1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
CCC(CC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
CCCC(CCC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r|
CC[C@H](COC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r|
COC[C@@H](C)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r|
COCC(COC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
Cc1cc(C)c(Nc2nc(Cl)cn([C@@H](CO)C3CC3)c2=O)c(C)c1 |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r|
COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O |r|
C[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O |r|
COC[C@@H](C)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r|
COC[C@H](C)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cccc2Cl)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2ccc(Cl)cc2)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2ccc(C)cc2C)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(C)cc2C)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(OC)cc2C)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r|
CCOc1cc(C)c(Nc2nc(Cl)cn([C@@H](COC)C3CC3)c2=O)cc1C |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OCc3ccccc3)cc2C)c1=O |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(O)cc2C)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(N(CC)c2cc(C)c(C)cc2C)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(N(CC)c2c(C)cc(C)cc2C)c1=O |r|
COc1cc(Cl)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(Cl)c1 |r|
CCN(c1nccn([C@H](C)C2CC2)c1=O)c1c(Cl)cc(OC)cc1Cl |r|
COc1cc2CCN(c2c(Cl)c1)c1nc(Cl)cn([C@H](C)C2CC2)c1=O |r|
COc1cc2CCN(c2c(Br)c1)c1nc(Cl)cn([C@H](C)C2CC2)c1=O |r|
COc1cc(Br)c2N(CCOc2c1)c1nc(Cl)cn([C@H](C)C2CC2)c1=O |r|
COc1ccc(Nc2nccn([C@H](C)C3CC3)c2=O)c(n1)C(F)(F)F |r|
COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(n1)C(F)(F)F |r|
COc1ccc(Nc2nc(Br)cn([C@H](C)C3CC3)c2=O)c(n1)C(F)(F)F |r|
COc1ccc(Nc2nc(C)cn([C@H](C)C3CC3)c2=O)c(n1)C(F)(F)F |r|
COc1ccc(Nc2nc(cn([C@H](C)C3CC3)c2=O)C#N)c(n1)C(F)(F)F |r|
COc1ccc(Nc2nc(cn([C@H](C)C3CC3)c2=O)C#C)c(n1)C(F)(F)F |r|
CCc1cn([C@H](C)C2CC2)c(=O)c(Nc2ccc(OC)nc2C(F)(F)F)n1 |r|
COc1ccc(Nc2nc(C=C)cn([C@H](C)C3CC3)c2=O)c(n1)C(F)(F)F |r|
COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C |r|
COC[C@@H](C)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O |r|
COC[C@H](C1CC1)n1cc(nc(Nc2cc(C)c(OC)nc2C)c1=O)C#N |r|
CC[C@H](C1CC1)n1cc(nc(Nc2cc(C)c(OC)nc2C)c1=O)C#N |r|
COc1nc(C)c(Nc2nc(cn([C@H](C)C3CC3)c2=O)C#N)cc1C |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
COC[C@@H](C)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O |r|
COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
CCCC(CCC)Nc1nc(C)nc2n(ncc12)-c1ccc(OC)cc1C
CCCCN(CC)c1nc(C)nc2n(nc(C)c12)-c1c(C)cc(C)cc1C |(-8.73,6.43,;-8.72,4.89,;-7.38,4.13,;-7.38,2.59,;-6.04,1.82,;-4.71,2.59,;-4.72,4.13,;-6.04,.28,;-7.37,-.49,;-7.37,-2.03,;-8.7,-2.8,;-6.04,-2.81,;-4.7,-2.04,;-3.22,-2.51,;-2.31,-1.25,;-3.23,-0,;-2.76,1.47,;-4.7,-.48,;-2.47,-3.86,;-.93,-3.87,;-.15,-2.54,;-.18,-5.21,;-.97,-6.54,;-.22,-7.88,;-2.51,-6.51,;-3.26,-5.17,;-4.8,-5.14,)|
CC[C@@H](COC)Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C |r|
CC[C@H](COC)Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C |r|
CCC[C@H](CO)Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C |r|
CCC[C@@H](CO)Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C |r|
CC[C@@H](CO)Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C |r|
CC[C@H](CO)Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C |r|
CCC(CC)Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
CCCC(CCC)Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
CCCC(CCOC)Nc1nc(C)nc2n(ncc12)-c1ccc(OC)cc1C
CCC(CC)Nc1nc(C)nc2n(ncc12)-c1ccc(OC)cc1C
COCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
CCCN(CCO)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
CCCN(CC(=O)N(C)C)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
CCCNCc1nnc(Nc2nc(C)nc3n(nc(C)c23)-c2ccc(OC)cc2C)o1
CCCNCc1noc(Nc2nc(C)nc3n(nc(C)c23)-c2ccc(OC)cc2C)n1
CCCNCc1nc(Nc2nc(C)nc3n(nc(C)c23)-c2ccc(OC)cc2C)no1
CCCNCc1nccn1Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
CCCNCc1cncn1Nc1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1OC
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(cc1C)C#N
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(cc1C#N)C#N
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(cc1C)C(N)=O
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)nc1C
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)nc1OC
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1cnc(cc1C)N(C)C
CCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(nc1C)C(N)=O
CCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
COCC(COC)NC1N=C(C)Nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |t:9,(16.61,.95,;15.27,1.72,;13.94,.95,;13.95,-.59,;15.28,-1.36,;16.61,-.59,;17.95,-1.35,;12.61,-1.37,;12.62,-2.91,;11.29,-3.68,;11.29,-5.22,;9.95,-5.99,;12.62,-5.99,;13.95,-5.22,;15.43,-5.69,;16.33,-4.44,;17.87,-4.44,;15.42,-3.2,;13.95,-3.67,;16.17,-7.04,;15.37,-8.36,;16.11,-9.71,;17.65,-9.74,;18.39,-11.09,;18.45,-8.41,;17.7,-7.07,;18.49,-5.75,)|
[H][C@](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)[C@@H](C)O)C(C)C)([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](C)C(N)=O |r|
COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)n1 |r|
COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(OC)n1 |r|
COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)n1 |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)nc2C)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc3COCc3nc2C)c1=O |r|
CCOc1nc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(nc2C)N(C)C)c1=O |r|
COc1nc(C)nc(C#N)c1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(C)nc(OC)nc2OC)c1=O |r|
COC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)nc(OC)nc2OC)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(nc2C)N2CCCC2)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2ccc(nc2C)C(F)(F)F)c1=O |r|
COc1nc(c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C)C(F)(F)F |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(OC(F)F)nc2C)c1=O |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O |r|
COC[C@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O |r|
COC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(OC(F)F)nc2C)c1=O |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(OC)n1 |r|
Cc1nc2N(CCCn2c1C(=O)N(CC1CC1)CC1CC1)c1c(C)cc(C)cc1C
CCCN(CC1CCC1)C(=O)c1c(C)nc2N(CCCn12)c1c(C)cc(C)cc1C
CCCN(CCc1ccccc1)C(=O)c1c(C)nc2N(CCCn12)c1c(C)cc(C)cc1C
CCCN(Cc1ccccc1)C(=O)c1c(C)nc2N(CCCn12)c1c(C)cc(C)cc1C
CCCN(CC=C)C(=O)c1c(C)nc2N(CCCn12)c1c(C)cc(C)cc1C
CCCN(CC1CC1)C(=O)c1c(C)nc2N(CCCn12)c1c(C)cc(C)cc1C
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(CCCn12)c1c(C)cc(C)cc1C
CCCN(CC1CC1)C(=O)c1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
CCCN(CCC)C(=O)c1c(C)nc2N(C(=O)CCn12)c1c(C)cc(C)cc1C
Cc1nc2N(C(=O)CCn2c1C(=O)N(CC=C)CC=C)c1c(C)cc(C)cc1C
CCCN(CC1CC1)C(=O)c1c(C)nc2N(C(=O)CCn12)c1c(C)cc(C)cc1C
Cc1nc2N(C(=O)CCn2c1C(=O)N1CCN(CC1)c1ccccc1F)c1c(C)cc(C)cc1C
Cc1nc2N(C(=O)CCn2c1C(=O)N1CCOCC1)c1c(C)cc(C)cc1C
CCCN(CC1CC1)C(=O)c1c(CC)nc2N(C(=O)CCn12)c1c(C)cc(C)cc1C
CCN(Cc1ccccc1)C(=O)c1c(CC)nc2N(C(=O)CCn12)c1c(C)cc(C)cc1C
CCCN(CCC)C(=O)c1c(CC)nc2N(C(=O)CCn12)c1c(C)cc(C)cc1C
CCc1nc2N(C(=O)CCn2c1C(=O)N(CC=C)CC=C)c1c(C)cc(C)cc1C
CCCCN(CC)C(=O)c1c(CC)nc2N(C(=O)CCn12)c1c(C)cc(C)cc1C
CCCN(CC1CC1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Cc1cc(C)c(N2CCCn3c(CN(CC4CC4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
Cc1cc(C)c(N2CCCn3c(CN(CC4CC4)CC(F)(F)C(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
Cc1cc(C)c(N2CCCn3c2nc(c3C(=O)N(CC=C)CC=C)C(F)(F)F)c(C)c1
CCCN(CC1CCC1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Cc1cc(C)c(N2CCCn3c(CN(CC4CCC4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
CCN(CC1CC1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
CCCN(CCc1ccccc1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Cc1cc(C)c(N2CCCn3c(CN(CCc4ccccc4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
CCCN(CC=C)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
CCCN(CCC(F)(F)F)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Cc1cc(C)c(N2CCCn3c(CN4CCCCC4)c(nc23)C(F)(F)F)c(C)c1
Cc1cc(C)c(N2CCCn3c(CN4CCC=CC4)c(nc23)C(F)(F)F)c(C)c1 |c:16|
Cc1cc(C)c(N2CCCn3c(CN4CCOCC4)c(nc23)C(F)(F)F)c(C)c1
Cc1cc(C)c(N2CCCn3c(CN4CCSCC4)c(nc23)C(F)(F)F)c(C)c1
CN1CCCN(Cc2c(nc3N(CCCn23)c2c(C)cc(C)cc2C)C(F)(F)F)CC1
CCCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1ccc(OC)cc1C)C(F)(F)F |(10.57,-13.82,;10.58,-15.36,;9.26,-16.14,;9.27,-17.68,;10.61,-18.44,;11.94,-17.66,;13.47,-17.64,;12.69,-16.32,;7.94,-18.46,;7.95,-20.01,;7.01,-21.24,;7.9,-22.51,;9.38,-22.06,;10.84,-22.57,;11.77,-21.33,;13.31,-21.36,;10.89,-20.07,;9.41,-20.52,;11.61,-23.9,;13.14,-23.9,;13.91,-25.23,;13.13,-26.57,;13.9,-27.91,;13.13,-29.24,;11.59,-26.57,;10.83,-25.23,;9.29,-25.22,;5.47,-21.21,;4.67,-22.52,;4.73,-19.86,;3.93,-21.2,)|
CCCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1Cl)C(F)(F)F |(10.57,-13.82,;10.58,-15.36,;9.26,-16.14,;9.27,-17.68,;10.61,-18.44,;11.94,-17.66,;13.47,-17.64,;12.69,-16.32,;7.94,-18.46,;7.95,-20.01,;7.01,-21.24,;7.9,-22.51,;9.38,-22.06,;10.84,-22.57,;11.77,-21.33,;13.31,-21.36,;10.89,-20.07,;9.41,-20.52,;11.61,-23.9,;10.83,-25.23,;9.29,-25.22,;11.59,-26.57,;13.13,-26.57,;13.9,-27.91,;13.91,-25.23,;13.14,-23.9,;13.91,-22.57,;5.47,-21.21,;4.67,-22.52,;4.73,-19.86,;3.93,-21.2,)|
CCCN(CC1CC1)Cc1c(nc2n(ccn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(10.98,-13.18,;10.99,-14.72,;9.66,-15.5,;9.67,-17.04,;11.01,-17.8,;12.34,-17.02,;13.87,-17,;13.09,-15.67,;8.35,-17.82,;8.36,-19.36,;7.42,-20.59,;8.3,-21.86,;9.78,-21.42,;11.25,-21.92,;12.18,-20.69,;11.3,-19.43,;9.82,-19.87,;12.01,-23.26,;13.54,-23.26,;14.31,-21.92,;14.31,-24.59,;13.54,-25.93,;14.3,-27.26,;12,-25.92,;11.23,-24.59,;9.69,-24.58,;5.88,-20.56,;5.08,-21.88,;5.14,-19.21,;4.33,-20.56,)|
CCCN(CC1CC1)C(=O)c1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(4.59,3.36,;4.51,1.83,;5.81,.99,;7.18,1.7,;7.25,3.24,;5.86,3.88,;5,5.17,;4.32,3.79,;8.48,.87,;9.26,2.19,;9.24,-.48,;8.3,-1.71,;9.18,-2.98,;10.66,-2.53,;12.13,-3.04,;13.06,-1.8,;14.6,-1.83,;12.18,-.54,;10.69,-.99,;12.89,-4.37,;14.42,-4.37,;15.19,-3.04,;15.19,-5.7,;14.42,-7.04,;15.18,-8.38,;12.87,-7.04,;12.11,-5.7,;10.57,-5.69,;6.76,-1.68,;5.96,-2.99,;6.01,-.33,;5.21,-1.67,)|
CCCN(CC1CC1)C(=O)c1c(C)nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C |(-9.7,.22,;-8.92,1.55,;-7.38,1.54,;-6.6,2.87,;-7.36,4.21,;-8.9,4.22,;-10.23,5,;-10.24,3.46,;-5.06,2.86,;-4.28,4.18,;-4.3,1.52,;-5.24,.28,;-6.78,.31,;-4.35,-.99,;-2.87,-.54,;-1.41,-1.05,;-.48,.19,;1.06,.16,;-1.36,1.45,;-2.84,1.01,;-.64,-2.38,;.89,-2.38,;1.66,-1.05,;1.66,-3.71,;.88,-5.05,;1.65,-6.39,;-.66,-5.05,;-1.42,-3.71,;-2.96,-3.7,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN3CCSCC3)c(nc12)C(F)(F)F |(25.46,-38.45,;24.69,-37.12,;25.46,-35.78,;24.7,-34.45,;25.46,-33.11,;23.17,-34.45,;22.38,-35.78,;20.84,-35.77,;23.15,-37.11,;22.4,-33.12,;23.33,-31.88,;24.87,-31.91,;22.45,-30.62,;20.97,-31.06,;19.51,-30.55,;19.07,-29.08,;20.12,-27.96,;21.45,-28.73,;22.79,-27.97,;22.8,-26.43,;21.47,-25.65,;20.13,-26.41,;18.57,-31.79,;19.45,-33.06,;20.94,-32.61,;17.03,-31.75,;16.29,-30.4,;16.23,-33.07,;15.49,-31.74,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN3CCOCC3)c(nc12)C(F)(F)F |(11.47,-37.87,;10.71,-36.54,;11.48,-35.2,;10.71,-33.87,;11.48,-32.53,;9.18,-33.87,;8.4,-35.19,;6.86,-35.19,;9.16,-36.53,;8.42,-32.53,;9.35,-31.3,;10.89,-31.33,;8.47,-30.03,;6.98,-30.48,;5.53,-29.97,;5.08,-28.49,;6.14,-27.37,;7.47,-28.15,;8.8,-27.39,;8.82,-25.85,;7.49,-25.07,;6.14,-25.83,;4.59,-31.2,;5.47,-32.47,;6.95,-32.03,;3.05,-31.17,;2.3,-29.82,;2.25,-32.49,;1.5,-31.16,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN3CCC=CC3)c(nc12)C(F)(F)F |c:20,(-.4,-37.28,;-1.17,-35.94,;-.4,-34.6,;-1.17,-33.27,;-.4,-31.94,;-2.7,-33.28,;-3.48,-34.6,;-5.02,-34.59,;-2.71,-35.94,;-3.46,-31.94,;-2.53,-30.71,;-.99,-30.74,;-3.41,-29.44,;-4.89,-29.89,;-6.35,-29.38,;-6.79,-27.9,;-5.74,-26.78,;-4.41,-27.56,;-3.07,-26.8,;-3.06,-25.26,;-4.39,-24.48,;-5.74,-25.24,;-7.29,-30.61,;-6.41,-31.88,;-4.93,-31.43,;-8.83,-30.58,;-9.57,-29.23,;-9.63,-31.9,;-10.38,-30.57,)|
CC1CCN(Cc2c(nc3n(c(Cl)cn23)-c2c(C)cc(C)cc2C)C(F)(F)F)CC1 |(38.12,-11.85,;36.78,-12.61,;36.76,-14.15,;35.43,-14.91,;34.1,-14.14,;33.04,-15.26,;33.49,-16.73,;32.55,-17.97,;33.43,-19.24,;34.91,-18.79,;36.38,-19.29,;37.31,-18.06,;38.85,-18.09,;36.43,-16.8,;34.95,-17.24,;37.14,-20.63,;38.67,-20.63,;39.44,-19.29,;39.44,-21.96,;38.67,-23.3,;39.43,-24.63,;37.13,-23.29,;36.36,-21.96,;34.82,-21.95,;31.01,-17.93,;30.27,-16.58,;30.21,-19.25,;29.46,-17.92,;34.1,-12.59,;35.45,-11.83,)|
CC1CCCN(Cc2c(nc3n(c(Cl)cn23)-c2c(C)cc(C)cc2C)C(F)(F)F)C1 |(22.47,-9.71,;22.46,-11.25,;23.79,-12.03,;23.77,-13.57,;22.44,-14.33,;21.11,-13.55,;20.06,-14.67,;20.5,-16.15,;19.56,-17.38,;20.44,-18.65,;21.92,-18.2,;23.39,-18.71,;24.32,-17.48,;25.86,-17.51,;23.44,-16.21,;21.96,-16.66,;24.15,-20.05,;25.68,-20.04,;26.45,-18.71,;26.45,-21.37,;25.68,-22.71,;26.45,-24.05,;24.14,-22.71,;23.37,-21.37,;21.83,-21.36,;18.02,-17.35,;17.28,-16,;17.22,-18.67,;16.47,-17.34,;21.11,-12.01,)|
CC1CCCCN1Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(6.38,-11.15,;7.71,-11.92,;9.06,-11.16,;10.39,-11.94,;10.37,-13.48,;9.04,-14.24,;7.71,-13.47,;6.65,-14.59,;7.1,-16.06,;6.16,-17.3,;7.04,-18.57,;8.52,-18.12,;9.99,-18.63,;10.92,-17.39,;12.46,-17.42,;10.04,-16.13,;8.56,-16.57,;10.75,-19.96,;12.28,-19.96,;13.05,-18.62,;13.05,-21.29,;12.28,-22.63,;13.04,-23.96,;10.74,-22.62,;9.97,-21.29,;8.43,-21.28,;4.62,-17.26,;3.88,-15.91,;3.82,-18.58,;3.07,-17.25,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN3CCCCC3)c(nc12)C(F)(F)F |(-.41,-23.05,;-1.18,-21.72,;-.4,-20.38,;-1.17,-19.05,;-.41,-17.71,;-2.7,-19.05,;-3.49,-20.38,;-5.02,-20.37,;-2.72,-21.71,;-3.47,-17.72,;-2.54,-16.48,;-1,-16.51,;-3.42,-15.22,;-4.9,-15.66,;-6.36,-15.15,;-6.8,-13.68,;-5.75,-12.56,;-4.42,-13.33,;-3.08,-12.57,;-3.07,-11.03,;-4.4,-10.25,;-5.74,-11.01,;-7.3,-16.39,;-6.41,-17.66,;-4.93,-17.21,;-8.84,-16.35,;-9.58,-15,;-9.64,-17.67,;-10.38,-16.34,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN3CCC(C3)c3ccccc3)c(nc12)C(F)(F)F |(28.54,-9.56,;27.77,-8.22,;28.54,-6.88,;27.78,-5.55,;28.54,-4.22,;26.25,-5.56,;25.46,-6.88,;23.92,-6.87,;26.23,-8.22,;25.48,-4.22,;26.41,-2.99,;27.95,-3.02,;25.53,-1.72,;24.05,-2.17,;22.59,-1.66,;22.15,-.18,;23.2,.94,;22.68,2.38,;23.89,3.33,;25.17,2.46,;24.74,.98,;26.52,3.21,;27.83,2.41,;29.18,3.16,;29.21,4.7,;27.88,5.49,;26.54,4.74,;21.65,-2.89,;22.53,-4.16,;24.02,-3.71,;20.11,-2.86,;19.37,-1.51,;19.31,-4.18,;18.57,-2.85,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN3CCCC3Cc3ccccc3)c(nc12)C(F)(F)F |(14.9,-11.77,;14.13,-10.43,;14.9,-9.09,;14.13,-7.76,;14.9,-6.43,;12.6,-7.77,;11.82,-9.09,;10.28,-9.08,;12.59,-10.43,;11.84,-6.43,;12.77,-5.2,;14.31,-5.22,;11.89,-3.93,;10.41,-4.38,;8.95,-3.87,;8.51,-2.39,;9.56,-1.27,;11.1,-1.23,;11.53,.25,;10.25,1.12,;9.03,.17,;7.71,.95,;7.72,2.49,;9.06,3.25,;9.07,4.79,;7.74,5.57,;6.4,4.8,;6.39,3.26,;8.01,-5.1,;8.89,-6.37,;10.37,-5.92,;6.47,-5.07,;5.73,-3.72,;5.67,-6.38,;4.92,-5.06,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN3CCCC3c3ccccc3)c(nc12)C(F)(F)F |(.14,-9.01,;-.63,-7.67,;.15,-6.33,;-.62,-5,;.15,-3.67,;-2.15,-5,;-2.93,-6.33,;-4.47,-6.32,;-2.17,-7.67,;-2.92,-3.67,;-1.99,-2.43,;-.45,-2.46,;-2.87,-1.17,;-4.35,-1.62,;-5.81,-1.11,;-6.25,.37,;-5.19,1.49,;-3.75,.95,;-2.79,2.15,;-3.64,3.44,;-5.13,3.02,;-6.47,3.77,;-6.5,5.31,;-7.85,6.05,;-9.17,5.25,;-9.13,3.71,;-7.78,2.97,;-6.75,-2.34,;-5.86,-3.61,;-4.38,-3.16,;-8.29,-2.31,;-9.03,-.96,;-9.09,-3.62,;-9.83,-2.29,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCc3ccccc3)CCC(F)(F)F)c(nc12)C(F)(F)F |(13.02,-51.61,;12.25,-50.28,;13.03,-48.94,;12.26,-47.61,;13.03,-46.27,;10.73,-47.61,;9.95,-48.94,;8.41,-48.93,;10.71,-50.27,;9.96,-46.28,;10.89,-45.04,;12.43,-45.07,;10.01,-43.78,;8.53,-44.22,;7.07,-43.71,;6.63,-42.24,;7.42,-40.92,;8.96,-40.95,;9.7,-42.29,;11.24,-42.32,;11.98,-43.67,;13.51,-43.71,;14.31,-42.39,;13.56,-41.03,;12.03,-41.01,;6.67,-39.57,;7.46,-38.25,;9,-38.27,;9.79,-36.95,;9.75,-39.61,;10.53,-38.27,;6.13,-44.95,;7.02,-46.22,;8.5,-45.77,;4.59,-44.91,;3.85,-43.56,;3.79,-46.23,;3.05,-44.9,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCc3ccccc3)CC(F)(F)F)c(nc12)C(F)(F)F |(-.53,-51.4,;-1.3,-50.07,;-.52,-48.73,;-1.29,-47.4,;-.52,-46.06,;-2.82,-47.4,;-3.6,-48.73,;-5.14,-48.72,;-2.84,-50.06,;-3.59,-46.07,;-2.65,-44.83,;-1.12,-44.86,;-3.54,-43.57,;-5.02,-44.01,;-6.47,-43.5,;-6.92,-42.03,;-6.13,-40.71,;-4.59,-40.74,;-3.85,-42.08,;-2.31,-42.11,;-1.57,-43.46,;-.03,-43.5,;.76,-42.18,;.01,-40.82,;-1.52,-40.8,;-6.88,-39.36,;-6.09,-38.04,;-6.84,-36.69,;-4.55,-38.06,;-5.34,-36.7,;-7.42,-44.74,;-6.53,-46.01,;-5.05,-45.56,;-8.96,-44.7,;-9.7,-43.35,;-9.75,-46.02,;-10.5,-44.69,)|
CN(CCc1ccncc1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(33.63,-25.75,;34.39,-27.09,;35.93,-27.12,;36.67,-28.47,;38.21,-28.5,;38.94,-29.85,;40.48,-29.88,;41.28,-28.57,;40.53,-27.21,;38.99,-27.19,;33.6,-28.42,;34.04,-29.89,;33.1,-31.13,;33.98,-32.4,;35.46,-31.95,;36.93,-32.45,;37.86,-31.22,;39.4,-31.25,;36.98,-29.96,;35.5,-30.4,;37.69,-33.79,;39.22,-33.79,;39.99,-32.45,;39.99,-35.12,;39.22,-36.46,;39.99,-37.79,;37.68,-36.45,;36.91,-35.12,;35.37,-35.11,;31.56,-31.09,;30.82,-29.74,;30.76,-32.41,;30.01,-31.08,)|
CN(CCc1cccnc1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(20.58,-25.05,;21.33,-26.39,;22.87,-26.42,;23.61,-27.77,;25.15,-27.8,;25.88,-29.15,;27.42,-29.18,;28.22,-27.87,;27.47,-26.51,;25.93,-26.49,;20.54,-27.72,;20.98,-29.19,;20.04,-30.43,;20.92,-31.7,;22.41,-31.25,;23.87,-31.75,;24.8,-30.52,;26.34,-30.55,;23.92,-29.26,;22.44,-29.7,;24.64,-33.09,;26.17,-33.09,;26.93,-31.75,;26.93,-34.42,;26.16,-35.76,;26.93,-37.09,;24.62,-35.75,;23.85,-34.42,;22.31,-34.41,;18.5,-30.39,;17.76,-29.04,;17.7,-31.71,;16.96,-30.38,)|
CN(CCc1ccccn1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(7.13,-25.05,;7.88,-26.39,;9.42,-26.42,;10.16,-27.77,;11.7,-27.8,;12.44,-29.15,;13.97,-29.18,;14.77,-27.87,;14.02,-26.51,;12.48,-26.49,;7.09,-27.72,;7.53,-29.19,;6.59,-30.43,;7.48,-31.7,;8.96,-31.25,;10.42,-31.75,;11.35,-30.52,;12.89,-30.55,;10.47,-29.26,;8.99,-29.7,;11.19,-33.09,;12.72,-33.09,;13.49,-31.75,;13.49,-34.42,;12.71,-35.76,;13.48,-37.09,;11.17,-35.75,;10.41,-34.42,;8.87,-34.41,;5.05,-30.39,;4.31,-29.04,;4.25,-31.71,;3.51,-30.38,)|
CN(CCc1ccccc1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(-6.58,-25.56,;-5.83,-26.9,;-4.29,-26.93,;-3.55,-28.28,;-2.01,-28.31,;-1.28,-29.66,;.26,-29.69,;1.06,-28.37,;.31,-27.02,;-1.23,-26.99,;-6.62,-28.22,;-6.18,-29.7,;-7.12,-30.93,;-6.24,-32.2,;-4.75,-31.75,;-3.29,-32.26,;-2.36,-31.03,;-.82,-31.05,;-3.24,-29.76,;-4.72,-30.21,;-2.52,-33.6,;-.99,-33.59,;-.23,-32.26,;-.23,-34.92,;-1,-36.26,;-.23,-37.6,;-2.54,-36.26,;-3.31,-34.92,;-4.85,-34.91,;-8.66,-30.9,;-9.4,-29.55,;-9.46,-32.21,;-10.2,-30.89,)|
CCN(CCc1ccccc1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(32.64,-10.29,;31.85,-11.62,;32.6,-12.96,;34.14,-12.99,;34.89,-14.34,;36.43,-14.37,;37.16,-15.72,;38.7,-15.75,;39.5,-14.43,;38.75,-13.08,;37.21,-13.06,;31.82,-14.28,;32.26,-15.76,;31.32,-16.99,;32.2,-18.26,;33.68,-17.82,;35.15,-18.32,;36.08,-17.09,;37.62,-17.12,;35.2,-15.82,;33.72,-16.27,;35.91,-19.66,;37.44,-19.66,;38.21,-18.32,;38.21,-20.99,;37.44,-22.33,;38.21,-23.66,;35.9,-22.32,;35.13,-20.98,;33.59,-20.98,;29.78,-16.96,;29.04,-15.61,;28.98,-18.28,;28.23,-16.95,)|
CCCN(CCc1ccccc1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(17.66,-9.5,;18.41,-10.85,;17.62,-12.17,;18.37,-13.51,;19.91,-13.54,;20.65,-14.89,;22.19,-14.92,;22.93,-16.27,;24.47,-16.3,;25.26,-14.99,;24.51,-13.63,;22.98,-13.61,;17.58,-14.84,;18.03,-16.31,;17.08,-17.55,;17.97,-18.82,;19.45,-18.37,;20.91,-18.87,;21.85,-17.64,;23.38,-17.67,;20.96,-16.38,;19.48,-16.82,;21.68,-20.21,;23.21,-20.21,;23.98,-18.87,;23.98,-21.54,;23.2,-22.88,;23.97,-24.21,;21.66,-22.87,;20.9,-21.54,;19.36,-21.53,;15.54,-17.51,;14.8,-16.16,;14.75,-18.83,;14,-17.5,)|
CN(Cc1ccco1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(5.1,-11.19,;5.85,-12.53,;7.39,-12.56,;8.18,-11.23,;9.61,-11.78,;10.58,-10.58,;9.73,-9.29,;8.25,-9.7,;5.06,-13.86,;5.5,-15.33,;4.56,-16.57,;5.45,-17.84,;6.93,-17.39,;8.39,-17.89,;9.32,-16.66,;10.86,-16.69,;8.44,-15.4,;6.96,-15.84,;9.16,-19.23,;10.69,-19.23,;11.46,-17.89,;11.46,-20.56,;10.68,-21.9,;11.45,-23.23,;9.14,-21.89,;8.38,-20.56,;6.84,-20.55,;3.02,-16.53,;2.28,-15.18,;2.22,-17.85,;1.48,-16.52,)|
CCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccccc1C |(-6.73,-10.72,;-7.52,-12.05,;-6.77,-13.39,;-7.56,-14.71,;-7.11,-16.19,;-8.05,-17.42,;-7.17,-18.69,;-5.69,-18.24,;-4.22,-18.75,;-3.29,-17.52,;-1.75,-17.54,;-4.17,-16.25,;-5.65,-16.7,;-3.46,-20.09,;-1.93,-20.08,;-1.16,-18.75,;-1.16,-21.41,;-1.93,-22.75,;-1.17,-24.09,;-3.47,-22.75,;-4.24,-21.41,;-5.78,-21.4,;-9.59,-17.39,;-10.33,-16.04,;-10.39,-18.7,;-11.14,-17.38,;-5.23,-13.41,;-4.44,-12.09,;-5.18,-10.74,;-4.39,-9.42,;-2.85,-9.45,;-2.1,-10.8,;-2.9,-12.12,;-2.16,-13.47,)|
CCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccc(Cl)c(Cl)c1 |(32.49,4.36,;31.71,3.04,;32.46,1.69,;31.67,.37,;32.11,-1.11,;31.17,-2.34,;32.05,-3.61,;33.54,-3.16,;35,-3.67,;35.93,-2.43,;37.47,-2.46,;35.05,-1.17,;33.57,-1.62,;35.77,-5,;37.3,-5,;38.06,-3.67,;38.06,-6.33,;37.29,-7.67,;38.06,-9.01,;35.75,-7.67,;34.98,-6.33,;33.44,-6.32,;29.63,-2.31,;28.89,-.96,;28.83,-3.62,;28.09,-2.29,;34,1.67,;34.78,3,;36.32,2.94,;37.13,4.25,;36.4,5.61,;37.21,6.92,;34.86,5.65,;34.12,7.01,;34.05,4.34,)|
CCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccccc1 |(19.9,5.54,;19.11,4.22,;19.86,2.87,;19.08,1.55,;19.52,.08,;18.58,-1.16,;19.46,-2.43,;20.94,-1.98,;22.41,-2.49,;23.34,-1.25,;24.88,-1.28,;22.46,.01,;20.98,-.43,;23.17,-3.82,;24.7,-3.82,;25.47,-2.49,;25.47,-5.15,;24.7,-6.49,;25.47,-7.83,;23.16,-6.48,;22.39,-5.15,;20.85,-5.14,;17.04,-1.12,;16.3,.23,;16.24,-2.44,;15.49,-1.11,;21.4,2.85,;22.19,4.17,;23.73,4.14,;24.53,5.46,;23.78,6.82,;22.24,6.84,;21.45,5.52,)|
CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccc(F)cc1 |(10.85,3.06,;9.31,3.09,;8.52,1.77,;6.98,1.8,;6.19,.48,;6.63,-1,;5.69,-2.23,;6.57,-3.5,;8.06,-3.05,;9.52,-3.56,;10.45,-2.33,;11.99,-2.35,;9.57,-1.06,;8.09,-1.51,;10.29,-4.9,;11.82,-4.89,;12.58,-3.56,;12.58,-6.22,;11.81,-7.56,;12.58,-8.9,;10.27,-7.56,;9.5,-6.22,;7.96,-6.21,;4.15,-2.2,;3.41,-.85,;3.35,-3.51,;2.61,-2.19,;6.23,3.15,;7.02,4.47,;8.56,4.42,;9.37,5.73,;8.64,7.08,;9.45,8.4,;7.09,7.13,;6.29,5.82,)|
CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1cccc(F)c1 |(-3.19,3.1,;-4.73,3.13,;-5.52,1.82,;-7.06,1.85,;-7.85,.52,;-7.41,-.95,;-8.35,-2.18,;-7.46,-3.45,;-5.98,-3.01,;-4.52,-3.51,;-3.59,-2.28,;-2.05,-2.31,;-4.47,-1.02,;-5.95,-1.46,;-3.75,-4.85,;-2.22,-4.85,;-1.46,-3.51,;-1.45,-6.18,;-2.23,-7.52,;-1.46,-8.85,;-3.77,-7.51,;-4.54,-6.18,;-6.07,-6.17,;-9.89,-2.15,;-10.63,-.8,;-10.69,-3.47,;-11.43,-2.14,;-7.81,3.19,;-7.03,4.51,;-7.79,5.84,;-7.02,7.17,;-5.48,7.16,;-4.71,5.83,;-3.17,5.82,;-5.49,4.5,)|
CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccc(cc1)[N+]([O-])=O |(31.31,-43.98,;29.77,-43.95,;28.97,-45.27,;27.43,-45.24,;26.64,-46.56,;27.09,-48.04,;26.15,-49.27,;27.03,-50.54,;28.51,-50.09,;29.98,-50.6,;30.91,-49.37,;32.45,-49.39,;30.03,-48.1,;28.54,-48.55,;30.74,-51.94,;32.27,-51.93,;33.04,-50.6,;33.04,-53.26,;32.27,-54.6,;33.03,-55.94,;30.72,-54.6,;29.96,-53.26,;28.42,-53.25,;24.61,-49.24,;23.86,-47.89,;23.81,-50.55,;23.06,-49.23,;26.68,-43.89,;27.48,-42.57,;29.02,-42.54,;29.76,-41.19,;28.96,-39.87,;27.41,-39.91,;26.68,-41.26,;29.73,-38.54,;28.96,-37.2,;31.27,-38.54,)|
CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccc(Cl)cc1 |(11.41,-43.56,;9.87,-43.53,;9.08,-44.85,;7.54,-44.82,;6.75,-46.14,;7.19,-47.62,;6.25,-48.85,;7.13,-50.12,;8.62,-49.67,;10.08,-50.18,;11.01,-48.95,;12.55,-48.97,;10.13,-47.68,;8.65,-48.13,;10.85,-51.52,;12.38,-51.51,;13.14,-50.18,;13.14,-52.84,;12.37,-54.18,;13.14,-55.52,;10.83,-54.18,;10.06,-52.84,;8.52,-52.83,;4.71,-48.82,;3.97,-47.47,;3.91,-50.13,;3.17,-48.81,;6.79,-43.47,;7.58,-42.15,;9.12,-42.21,;9.93,-40.91,;9.21,-39.55,;10.02,-38.24,;7.66,-39.5,;6.85,-40.81,)|
CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccccc1 |(-2.71,-41.91,;-4.25,-41.88,;-5.05,-43.2,;-6.59,-43.17,;-7.38,-44.49,;-6.93,-45.97,;-7.87,-47.2,;-6.99,-48.47,;-5.51,-48.02,;-4.04,-48.53,;-3.11,-47.3,;-1.57,-47.33,;-3.99,-46.03,;-5.48,-46.48,;-3.28,-49.87,;-1.75,-49.86,;-.98,-48.53,;-.98,-51.19,;-1.75,-52.53,;-.99,-53.87,;-3.3,-52.53,;-4.06,-51.19,;-5.6,-51.18,;-9.41,-47.17,;-10.16,-45.82,;-10.21,-48.49,;-10.96,-47.16,;-7.34,-41.82,;-6.54,-40.5,;-5.01,-40.52,;-4.22,-39.2,;-4.97,-37.86,;-6.51,-37.83,;-7.3,-39.17,)|
CN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccccc1 |(37.01,-30.79,;35.47,-30.76,;34.69,-32.08,;35.13,-33.56,;34.19,-34.79,;35.07,-36.06,;36.55,-35.61,;38.02,-36.12,;38.95,-34.88,;40.49,-34.91,;38.07,-33.62,;36.59,-34.06,;38.78,-37.45,;40.31,-37.45,;41.08,-36.12,;41.08,-38.78,;40.31,-40.12,;41.08,-41.46,;38.77,-40.12,;38,-38.78,;36.46,-38.77,;32.65,-34.76,;31.91,-33.41,;31.85,-36.07,;31.1,-34.74,;34.73,-29.41,;35.52,-28.09,;37.05,-28.1,;37.84,-26.79,;37.09,-25.44,;35.55,-25.42,;34.76,-26.75,)|
CCCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccccc1 |(26.48,-31.19,;25.74,-29.84,;24.2,-29.81,;23.46,-28.46,;21.92,-28.43,;21.13,-29.75,;21.57,-31.23,;20.63,-32.46,;21.52,-33.73,;23,-33.29,;24.46,-33.79,;25.39,-32.56,;26.93,-32.59,;24.51,-31.29,;23.03,-31.74,;25.23,-35.13,;26.76,-35.13,;27.52,-33.79,;27.53,-36.46,;26.75,-37.8,;27.52,-39.13,;25.21,-37.79,;24.44,-36.45,;22.91,-36.45,;19.09,-32.43,;18.35,-31.08,;18.29,-33.75,;17.55,-32.42,;21.17,-27.09,;21.96,-25.76,;23.49,-25.78,;24.29,-24.46,;23.54,-23.12,;22,-23.09,;21.21,-24.43,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)Cc3ccc(Cl)cc3)c(nc12)C(F)(F)F |(14.51,-39.05,;13.75,-37.72,;14.52,-36.38,;13.75,-35.05,;14.52,-33.71,;12.22,-35.05,;11.44,-36.38,;9.9,-36.37,;12.21,-37.71,;11.46,-33.71,;12.39,-32.48,;13.93,-32.51,;11.51,-31.22,;10.03,-31.66,;8.57,-31.15,;8.12,-29.68,;8.91,-28.35,;8.16,-27.01,;6.62,-26.99,;5.87,-25.64,;4.33,-25.62,;6.66,-24.32,;5.09,-24.31,;10.45,-28.38,;11.24,-27.05,;12.78,-27.11,;13.59,-25.8,;12.87,-24.44,;13.68,-23.14,;11.32,-24.39,;10.51,-25.7,;7.63,-32.39,;8.51,-33.66,;9.99,-33.21,;6.09,-32.35,;5.35,-31,;5.29,-33.67,;4.54,-32.34,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(Cc3ccc(F)cc3)CC(F)(F)F)c(nc12)C(F)(F)F |(.41,-38.07,;-.35,-36.74,;.42,-35.4,;-.35,-34.07,;.42,-32.73,;-1.88,-34.07,;-2.66,-35.4,;-4.2,-35.39,;-1.9,-36.73,;-2.64,-32.73,;-1.71,-31.5,;-.17,-31.53,;-2.59,-30.24,;-4.08,-30.68,;-5.53,-30.17,;-5.98,-28.7,;-5.19,-27.37,;-3.65,-27.4,;-2.86,-26.07,;-1.32,-26.09,;-.54,-24.76,;-1.3,-23.42,;-.52,-22.09,;-2.85,-23.42,;-3.62,-24.74,;-5.94,-26.03,;-7.47,-26,;-8.2,-27.36,;-8.29,-24.69,;-9.02,-26.08,;-6.47,-31.41,;-5.59,-32.68,;-4.11,-32.23,;-8.01,-31.37,;-8.76,-30.02,;-8.81,-32.69,;-9.56,-31.36,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)Cc3ccc(F)cc3)c(nc12)C(F)(F)F |(40.1,-24.86,;39.33,-23.52,;40.1,-22.18,;39.33,-20.85,;40.1,-19.52,;37.8,-20.86,;37.02,-22.18,;35.48,-22.17,;37.79,-23.52,;37.04,-19.52,;37.97,-18.29,;39.51,-18.31,;37.09,-17.02,;35.61,-17.47,;34.15,-16.96,;33.71,-15.48,;34.49,-14.16,;33.74,-12.82,;32.2,-12.79,;31.45,-11.45,;29.91,-11.43,;32.24,-10.13,;30.67,-10.11,;36.03,-14.18,;36.82,-12.86,;38.36,-12.86,;39.13,-11.52,;38.35,-10.19,;39.11,-8.85,;36.8,-10.2,;36.05,-11.54,;33.21,-18.19,;34.09,-19.46,;35.57,-19.01,;31.67,-18.16,;30.93,-16.81,;30.87,-19.47,;30.12,-18.15,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)Cc3cccc(F)c3)c(nc12)C(F)(F)F |(27.3,-24.04,;26.53,-22.71,;27.31,-21.37,;26.54,-20.04,;27.31,-18.7,;25.01,-20.04,;24.23,-21.37,;22.69,-21.36,;24.99,-22.7,;24.24,-18.7,;25.17,-17.47,;26.71,-17.5,;24.29,-16.21,;22.81,-16.65,;21.35,-16.14,;20.91,-14.67,;21.7,-13.34,;20.95,-12,;19.41,-11.98,;18.66,-10.63,;17.12,-10.61,;19.45,-9.31,;17.87,-9.29,;23.24,-13.36,;24.02,-12.05,;25.56,-12.12,;26.39,-10.82,;25.68,-9.45,;24.13,-9.39,;23.42,-8.02,;23.31,-10.68,;20.41,-17.37,;21.3,-18.64,;22.78,-18.2,;18.87,-17.34,;18.13,-15.99,;18.07,-18.66,;17.33,-17.33,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)Cc3ccccc3)c(nc12)C(F)(F)F |(14.51,-23.86,;13.74,-22.52,;14.51,-21.18,;13.74,-19.85,;14.51,-18.52,;12.21,-19.85,;11.43,-21.18,;9.89,-21.17,;12.2,-22.51,;11.45,-18.52,;12.38,-17.28,;13.92,-17.31,;11.5,-16.02,;10.02,-16.46,;8.56,-15.95,;8.12,-14.48,;8.91,-13.16,;8.15,-11.81,;6.61,-11.79,;5.86,-10.45,;4.32,-10.42,;6.65,-9.12,;5.08,-9.11,;10.45,-13.18,;11.23,-11.86,;12.77,-11.88,;13.55,-10.56,;12.8,-9.22,;11.26,-9.2,;10.47,-10.52,;7.62,-17.19,;8.5,-18.46,;9.98,-18.01,;6.08,-17.15,;5.34,-15.8,;5.28,-18.47,;4.53,-17.14,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC3CC3)CCC(F)(F)F)c(nc12)C(F)(F)F |(.95,-22.49,;.18,-21.15,;.96,-19.81,;.19,-18.48,;.96,-17.15,;-1.34,-18.48,;-2.12,-19.81,;-3.66,-19.8,;-1.36,-21.15,;-2.11,-17.15,;-1.18,-15.91,;.36,-15.94,;-2.06,-14.65,;-3.54,-15.09,;-5,-14.59,;-5.44,-13.11,;-4.65,-11.79,;-5.4,-10.44,;-6.94,-10.42,;-7.69,-9.08,;-7.66,-7.54,;-9.01,-8.3,;-3.11,-11.81,;-2.32,-10.49,;-.78,-10.51,;.01,-9.19,;-.03,-11.85,;.75,-10.51,;-5.94,-15.82,;-5.05,-17.09,;-3.57,-16.64,;-7.48,-15.79,;-8.22,-14.44,;-8.28,-17.1,;-9.02,-15.77,)|
CCCN(CCC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(38.9,3.33,;37.36,3.35,;36.57,2.03,;35.03,2.05,;34.28,3.39,;32.74,3.42,;31.99,4.76,;32.02,6.29,;30.67,5.54,;34.24,.73,;34.69,-.75,;33.74,-1.98,;34.63,-3.25,;36.11,-2.8,;37.57,-3.31,;38.51,-2.08,;40.04,-2.11,;37.62,-.81,;36.14,-1.26,;38.34,-4.65,;39.87,-4.64,;40.64,-3.31,;40.64,-5.97,;39.86,-7.31,;40.63,-8.65,;38.32,-7.31,;37.56,-5.97,;36.02,-5.96,;32.2,-1.95,;31.46,-.6,;31.41,-3.27,;30.66,-1.94,)|
CCN(CCC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(24.53,3.43,;23.75,2.11,;22.21,2.13,;21.45,3.47,;19.91,3.49,;19.16,4.84,;19.19,6.37,;17.85,5.62,;21.42,.8,;21.86,-.67,;20.92,-1.9,;21.8,-3.17,;23.28,-2.73,;24.75,-3.23,;25.68,-2,;27.22,-2.03,;24.8,-.74,;23.32,-1.18,;25.51,-4.57,;27.04,-4.57,;27.81,-3.23,;27.81,-5.9,;27.04,-7.24,;27.81,-8.57,;25.5,-7.23,;24.73,-5.9,;23.19,-5.89,;19.38,-1.87,;18.64,-.52,;18.58,-3.19,;17.83,-1.86,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(13.64,-7.82,;12.88,-6.48,;13.65,-5.14,;12.88,-3.81,;13.65,-2.48,;11.35,-3.81,;10.57,-5.14,;9.03,-5.13,;11.33,-6.48,;10.59,-2.48,;11.52,-1.24,;13.06,-1.27,;10.64,.02,;9.15,-.43,;7.7,.08,;7.25,1.56,;8.04,2.88,;7.29,4.23,;5.75,4.25,;5,5.59,;5.03,7.12,;3.69,6.37,;9.58,2.86,;10.37,4.18,;11.91,4.16,;9.62,5.53,;11.13,5.52,;6.76,-1.15,;7.64,-2.42,;9.12,-1.97,;5.22,-1.12,;4.47,.23,;4.42,-2.43,;3.67,-1.1,)|
CCN(CC1CCC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(-2.09,5.36,;-2.88,4.03,;-4.42,4.06,;-5.17,5.4,;-6.71,5.42,;-7.77,6.52,;-8.88,5.45,;-7.81,4.35,;-5.21,2.73,;-4.76,1.26,;-5.7,.02,;-4.82,-1.25,;-3.34,-.8,;-1.87,-1.3,;-.94,-.07,;.6,-.1,;-1.82,1.19,;-3.31,.75,;-1.11,-2.64,;.42,-2.64,;1.19,-1.3,;1.19,-3.97,;.42,-5.31,;1.18,-6.64,;-1.13,-5.3,;-1.89,-3.97,;-3.43,-3.96,;-7.24,.06,;-7.99,1.41,;-8.04,-1.26,;-8.79,.07,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CC3CCC3)CC(F)(F)F)c(nc12)C(F)(F)F |(39.7,-54.94,;38.93,-53.61,;39.71,-52.27,;38.94,-50.94,;39.7,-49.6,;37.41,-50.94,;36.62,-52.27,;35.09,-52.26,;37.39,-53.6,;36.64,-49.6,;37.57,-48.37,;39.11,-48.4,;36.69,-47.11,;35.21,-47.55,;33.75,-47.04,;33.31,-45.57,;34.1,-44.24,;33.35,-42.9,;31.81,-42.88,;30.74,-41.78,;29.64,-42.85,;30.71,-43.95,;35.64,-44.27,;36.43,-42.94,;37.97,-42.96,;35.67,-41.6,;37.19,-41.6,;32.81,-48.28,;33.7,-49.55,;35.18,-49.1,;31.27,-48.24,;30.53,-46.89,;30.47,-49.56,;29.73,-48.23,)|
CCCN(CC1CCC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(25.09,-41.84,;23.55,-41.82,;22.77,-43.15,;21.23,-43.12,;20.47,-41.78,;18.93,-41.76,;17.87,-40.66,;16.76,-41.73,;17.84,-42.83,;20.44,-44.45,;20.88,-45.92,;19.94,-47.16,;20.82,-48.43,;22.3,-47.98,;23.77,-48.48,;24.7,-47.25,;26.24,-47.28,;23.82,-45.99,;22.34,-46.43,;24.53,-49.82,;26.06,-49.82,;26.83,-48.48,;26.83,-51.15,;26.06,-52.49,;26.83,-53.82,;24.52,-52.48,;23.75,-51.15,;22.21,-51.14,;18.4,-47.12,;17.66,-45.77,;17.6,-48.44,;16.85,-47.11,)|
CCN(CC(C)=C)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(10.8,-41.01,;10.01,-42.34,;8.47,-42.32,;7.72,-40.97,;6.18,-40.95,;5.39,-42.27,;5.43,-39.6,;7.68,-43.64,;8.12,-45.11,;7.18,-46.35,;8.07,-47.62,;9.55,-47.17,;11.01,-47.68,;11.94,-46.44,;13.48,-46.47,;11.06,-45.18,;9.58,-45.62,;11.78,-49.01,;13.31,-49.01,;14.08,-47.67,;14.08,-50.34,;13.3,-51.68,;14.07,-53.01,;11.76,-51.67,;11,-50.34,;9.46,-50.33,;5.64,-46.31,;4.9,-44.96,;4.84,-47.63,;4.1,-46.3,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CC=C)CC=C)c(nc12)C(F)(F)F |(.11,-53.08,;-.66,-51.75,;.12,-50.41,;-.65,-49.08,;.12,-47.74,;-2.18,-49.08,;-2.96,-50.41,;-4.5,-50.4,;-2.2,-51.74,;-2.95,-47.75,;-2.02,-46.51,;-.48,-46.54,;-2.9,-45.25,;-4.38,-45.69,;-5.84,-45.18,;-6.28,-43.71,;-5.49,-42.39,;-6.24,-41.04,;-7.78,-41.02,;-8.53,-39.67,;-3.95,-42.41,;-3.16,-41.08,;-1.62,-41.11,;-6.78,-46.42,;-5.89,-47.69,;-4.41,-47.24,;-8.32,-46.38,;-9.06,-45.03,;-9.12,-47.7,;-9.86,-46.37,)|
CCCN(CC=C)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(37.74,-27.89,;36.2,-27.87,;35.41,-29.19,;33.87,-29.17,;33.12,-27.83,;31.58,-27.8,;30.83,-26.46,;33.08,-30.49,;33.53,-31.97,;32.59,-33.2,;33.47,-34.47,;34.95,-34.02,;36.42,-34.53,;37.35,-33.3,;38.89,-33.33,;36.47,-32.03,;34.98,-32.48,;37.18,-35.87,;38.71,-35.86,;39.48,-34.53,;39.48,-37.19,;38.71,-38.53,;39.47,-39.87,;37.16,-38.53,;36.4,-37.19,;34.86,-37.18,;31.05,-33.17,;30.3,-31.82,;30.25,-34.49,;29.5,-33.16,)|
CCCCN(C)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(24.66,-24.49,;23.88,-25.81,;22.34,-25.79,;21.55,-27.11,;22.3,-28.46,;23.84,-28.48,;21.51,-29.78,;21.95,-31.25,;21.01,-32.49,;21.9,-33.76,;23.38,-33.31,;24.84,-33.82,;25.77,-32.58,;27.31,-32.61,;24.89,-31.32,;23.41,-31.76,;25.61,-35.15,;27.14,-35.15,;27.91,-33.81,;27.91,-36.48,;27.13,-37.82,;27.9,-39.15,;25.59,-37.81,;24.83,-36.48,;23.29,-36.47,;19.47,-32.45,;18.73,-31.1,;18.67,-33.77,;17.93,-32.44,)|
CCCCN(CC)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(10.63,-24.58,;9.84,-25.9,;8.31,-25.88,;7.52,-27.2,;8.27,-28.55,;9.81,-28.57,;10.56,-29.91,;7.48,-29.87,;7.92,-31.35,;6.98,-32.58,;7.87,-33.85,;9.35,-33.4,;10.81,-33.91,;11.74,-32.67,;13.28,-32.7,;10.86,-31.41,;9.38,-31.86,;11.58,-35.24,;13.11,-35.24,;13.87,-33.91,;13.88,-36.57,;13.1,-37.91,;13.87,-39.25,;11.56,-37.91,;10.79,-36.57,;9.26,-36.56,;5.44,-32.55,;4.7,-31.2,;4.64,-33.86,;3.9,-32.53,)|
CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)CC(F)(F)C(F)(F)F |(-9.23,-26.91,;-9.27,-28.45,;-7.97,-29.26,;-6.62,-28.53,;-5.31,-29.35,;-4.86,-30.83,;-5.81,-32.06,;-4.92,-33.33,;-3.44,-32.88,;-1.98,-33.39,;-1.04,-32.15,;.49,-32.18,;-1.93,-30.89,;-3.41,-31.33,;-1.21,-34.72,;.32,-34.72,;1.09,-33.39,;1.09,-36.05,;.31,-37.39,;1.08,-38.73,;-1.23,-37.39,;-1.99,-36.05,;-3.53,-36.04,;-7.35,-32.03,;-8.09,-30.68,;-8.14,-33.34,;-8.89,-32.01,;-6.58,-26.99,;-5.23,-26.26,;-3.91,-27.06,;-5.19,-24.72,;-3.9,-25.47,;-2.56,-26.23,;-3.91,-23.93,;-2.57,-24.69,)|
CCCN(CCC)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(32.18,-11.16,;30.64,-11.14,;29.85,-12.47,;30.61,-13.81,;32.15,-13.83,;32.9,-15.18,;34.44,-15.2,;29.82,-15.13,;30.26,-16.61,;29.32,-17.84,;30.2,-19.11,;31.68,-18.66,;33.15,-19.17,;34.08,-17.94,;35.62,-17.96,;33.2,-16.67,;31.72,-17.12,;33.91,-20.51,;35.44,-20.5,;36.21,-19.17,;36.21,-21.83,;35.44,-23.17,;36.21,-24.51,;33.9,-23.17,;33.13,-21.83,;31.59,-21.82,;27.78,-17.81,;27.04,-16.46,;26.98,-19.12,;26.23,-17.8,)|
CCCN(CCOC)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(20.12,-11.06,;18.58,-11.03,;17.79,-12.36,;18.54,-13.7,;20.08,-13.72,;20.83,-15.07,;22.37,-15.09,;23.12,-16.43,;17.75,-15.02,;18.2,-16.5,;17.26,-17.73,;18.14,-19,;19.62,-18.55,;21.09,-19.06,;22.02,-17.83,;23.56,-17.86,;21.14,-16.56,;19.65,-17.01,;21.85,-20.4,;23.38,-20.39,;24.15,-19.06,;24.15,-21.72,;23.38,-23.06,;24.14,-24.4,;21.83,-23.06,;21.07,-21.72,;19.53,-21.71,;15.72,-17.7,;14.97,-16.35,;14.92,-19.02,;14.17,-17.69,)|
CCCN(CCC(F)(F)F)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(7.09,-10.64,;5.55,-10.62,;4.76,-11.94,;5.51,-13.29,;7.05,-13.31,;7.81,-14.65,;9.35,-14.68,;10.13,-13.35,;10.1,-16.02,;10.88,-14.67,;4.73,-14.61,;5.17,-16.09,;4.23,-17.32,;5.11,-18.59,;6.59,-18.14,;8.06,-18.65,;8.99,-17.41,;10.53,-17.44,;8.11,-16.15,;6.63,-16.6,;8.82,-19.98,;10.35,-19.98,;11.12,-18.65,;11.12,-21.31,;10.35,-22.65,;11.12,-23.99,;8.81,-22.65,;8.04,-21.31,;6.5,-21.3,;2.69,-17.29,;1.95,-15.94,;1.89,-18.6,;1.14,-17.27,)|
CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)CC(F)(F)F |(-3.08,-13.39,;-4.62,-13.36,;-5.37,-12.02,;-6.91,-12,;-7.7,-13.32,;-7.26,-14.8,;-8.2,-16.03,;-7.32,-17.3,;-5.84,-16.85,;-4.37,-17.36,;-3.44,-16.12,;-1.9,-16.15,;-4.32,-14.86,;-5.8,-15.3,;-3.61,-18.69,;-2.08,-18.69,;-1.31,-17.36,;-1.31,-20.02,;-2.08,-21.36,;-1.31,-22.7,;-3.62,-21.36,;-4.39,-20.02,;-5.93,-20.01,;-9.74,-16,;-10.48,-14.65,;-10.54,-17.31,;-11.29,-15.98,;-7.67,-10.65,;-6.88,-9.33,;-5.34,-9.35,;-7.63,-7.99,;-6.12,-7.99,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)CC3CC3)c(nc12)C(F)(F)F |(40.08,-10.57,;39.31,-9.24,;40.09,-7.9,;39.32,-6.57,;40.09,-5.23,;37.79,-6.57,;37.01,-7.89,;35.47,-7.89,;37.77,-9.23,;37.02,-5.23,;37.95,-4,;39.49,-4.03,;37.07,-2.73,;35.59,-3.18,;34.13,-2.67,;33.69,-1.19,;34.48,.13,;36.02,.11,;36.81,1.43,;38.35,1.41,;39.14,2.73,;39.1,.06,;39.88,1.41,;33.73,1.47,;34.52,2.8,;35.86,3.54,;34.54,4.33,;33.19,-3.9,;34.08,-5.17,;35.56,-4.73,;31.65,-3.87,;30.91,-2.52,;30.85,-5.19,;30.11,-3.86,)|
CCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(23.51,2.87,;22.73,1.55,;21.19,1.57,;20.44,2.91,;21.22,4.23,;22.57,4.98,;21.25,5.77,;20.4,.24,;20.84,-1.23,;19.9,-2.46,;20.78,-3.73,;22.27,-3.29,;23.73,-3.79,;24.66,-2.56,;26.2,-2.59,;23.78,-1.3,;22.3,-1.74,;24.5,-5.13,;26.03,-5.13,;26.79,-3.79,;26.79,-6.46,;26.02,-7.8,;26.79,-9.13,;24.48,-7.79,;23.71,-6.46,;22.17,-6.45,;18.36,-2.43,;17.62,-1.08,;17.56,-3.75,;16.82,-2.42,)|
Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(13.95,-9.34,;13.19,-8.01,;13.96,-6.67,;13.19,-5.34,;13.96,-4,;11.66,-5.34,;10.88,-6.67,;9.34,-6.66,;11.65,-8,;10.9,-4,;11.83,-2.77,;13.37,-2.8,;10.95,-1.51,;9.47,-1.95,;8.01,-1.44,;7.56,.03,;8.35,1.36,;7.6,2.7,;8.39,4.02,;9.74,4.77,;8.41,5.56,;9.89,1.34,;10.68,2.66,;12.22,2.64,;9.93,4,;11.44,4,;7.07,-2.67,;7.95,-3.94,;9.43,-3.5,;5.53,-2.64,;4.79,-1.29,;4.73,-3.96,;3.98,-2.63,)|
CCCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(-1.4,.94,;-2.94,.96,;-3.69,2.31,;-5.23,2.33,;-5.98,3.67,;-5.19,5,;-3.84,5.75,;-5.17,6.53,;-6.02,1.01,;-5.57,-.47,;-6.51,-1.7,;-5.63,-2.97,;-4.15,-2.52,;-2.68,-3.03,;-1.75,-1.8,;-.21,-1.83,;-2.63,-.53,;-4.11,-.98,;-1.92,-4.37,;-.39,-4.36,;.38,-3.03,;.38,-5.69,;-.39,-7.03,;.37,-8.37,;-1.93,-7.03,;-2.7,-5.69,;-4.24,-5.68,;-8.05,-1.67,;-8.79,-.32,;-8.85,-2.99,;-9.6,-1.66,)|
COCC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O
CC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O
CCC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O
COCC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O
CC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)c1=O
COCC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)c1=O
CC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O
CCC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O
COCC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O
CC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(cc2Cl)S(C)(=O)=O)c1=O
COc1cc(C)c(Nc2nc(C)nn(C(C)C3CC3)c2=O)cc1C
CCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)cc2C)c1=O
CCOc1cc(C)c(Nc2nc(C)nn(C(C)C3CC3)c2=O)cc1C
CC(C1CC1)n1nc(C)nc(Nc2cc(C)c(cc2C)C#N)c1=O
CCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(cc2C)C#N)c1=O
CC(C1CC1)n1nc(C)nc(Nc2cc(Cl)c(cc2Cl)C#N)c1=O
CC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(C#N)c(Cl)c2Cl)c1=O
CC(C1CC1)n1nc(C)nc(Nc2cc(c(cc2Cl)C#N)C(F)(F)F)c1=O
COc1cc(Nc2nc(C)nn(C(C)C3CC3)c2=O)c(C)cc1C#N
CCC(C1CC1)n1nc(C)nc(Nc2cc(OC)c(cc2C)C#N)c1=O
CC(C1CC1)n1nc(C)nc(Nc2c(Cl)cc(nc2Cl)C(F)(F)F)c1=O
COc1ccc(Nc2nc(C)nn(C(C)C3CC3)c2=O)c(n1)C(F)(F)F
CCC(C1CC1)n1nc(C)nc(Nc2ccc(OC)nc2C(F)(F)F)c1=O
COCC(C1CC1)n1nc(C)nc(Nc2ccc(OC)nc2C(F)(F)F)c1=O
CCOc1ccc(Nc2nc(C)nn(C(C)C3CC3)c2=O)c(n1)C(F)(F)F
CCOc1ccc(Nc2nc(C)nn(C(CC)C3CC3)c2=O)c(n1)C(F)(F)F
CCOc1ccc(Nc2nc(C)nn(C(COC)C3CC3)c2=O)c(n1)C(F)(F)F
CCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)nc2C(F)(F)F)c1=O
COc1nc(C)c(Nc2nc(C)nn(C(C)C3CC3)c2=O)cc1C
CCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)nc2C)c1=O
COCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)nc2C)c1=O
COCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O
COc1nc(C)c(Nc2nc(C)nn(C(C)C3CC3)c2=O)c(OC)n1
COc1cc(Cl)c(Nc2nc(C)nn([C@H](C)C3CC3)c2=O)c(Cl)c1 |r|
C[C@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O |r|
COc1ccc(Nc2nc(C)nn([C@H](C)C3CC3)c2=O)c(n1)C(F)(F)F |r|
CCOc1ccc(Nc2nc(C)nn([C@H](C)C3CC3)c2=O)c(n1)C(F)(F)F |r|
COC[C@@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O |r|
COC[C@@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O |r|
COC[C@@H](C1CC1)n1nc(C)nc(Nc2ccc(OC)nc2C(F)(F)F)c1=O |r|
CCOc1ccc(Nc2nc(C)nn([C@@H](COC)C3CC3)c2=O)c(n1)C(F)(F)F |r|
COC[C@@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
COc1cc(Cl)c(Nc2nc(C)nn([C@@H](C)C3CC3)c2=O)c(Cl)c1 |r|
C[C@@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O |r|
COc1ccc(Nc2nc(C)nn([C@@H](C)C3CC3)c2=O)c(n1)C(F)(F)F |r|
CCOc1ccc(Nc2nc(C)nn([C@@H](C)C3CC3)c2=O)c(n1)C(F)(F)F |r|
COC[C@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O |r|
COC[C@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O |r|
COC[C@H](C1CC1)n1nc(C)nc(Nc2ccc(OC)nc2C(F)(F)F)c1=O |r|
CCOc1ccc(Nc2nc(C)nn([C@H](COC)C3CC3)c2=O)c(n1)C(F)(F)F |r|
COC[C@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r|
CC(C1CC1)n1nc(C)nc(Nc2c(C)cc(C)cc2C)c1=O
CC(C1CC1)n1nc(C)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O
COc1cc(C)c(Nc2nc(C)nn(C(C)C3CC3)c2=O)c(C)c1
COCC(C1CC1)n1nc(C)nc(Nc2c(C)cc(OC)cc2C)c1=O
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
CCN(CCF)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(6.44,4.65,;7.77,5.43,;9.11,4.66,;10.44,5.43,;11.77,4.67,;13.11,5.44,;9.11,3.12,;7.78,2.35,;7.78,.8,;6.45,.04,;9.12,.03,;10.45,.81,;11.92,.33,;12.83,1.58,;14.37,1.58,;11.92,2.84,;10.45,2.36,;12.75,-.97,;11.94,-2.29,;12.68,-3.63,;14.23,-3.67,;14.97,-5.02,;14.17,-6.34,;15.02,-2.34,;14.28,-1,;15.08,.32,)|
COCCN(CCF)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(21.66,4.29,;22.99,5.06,;24.33,4.29,;25.66,5.07,;27,4.3,;28.33,5.08,;29.66,4.31,;30.99,5.08,;27,2.76,;25.67,1.99,;25.67,.45,;24.34,-.32,;27,-.32,;28.34,.45,;29.81,-.03,;30.72,1.22,;32.26,1.22,;29.81,2.48,;28.34,2,;30.64,-1.32,;29.85,-2.64,;30.6,-3.99,;32.14,-4.01,;32.89,-5.36,;32.1,-6.68,;32.93,-2.68,;32.18,-1.34,;32.96,-.02,)|
CCN(CCCF)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(-9.06,-9.58,;-7.73,-8.81,;-6.39,-9.57,;-5.06,-8.8,;-3.73,-9.57,;-2.4,-8.79,;-1.06,-9.56,;-6.39,-11.11,;-7.72,-11.88,;-7.72,-13.43,;-9.05,-14.2,;-6.39,-14.2,;-5.05,-13.43,;-3.58,-13.9,;-2.67,-12.65,;-1.13,-12.65,;-3.58,-11.4,;-5.05,-11.88,;-2.74,-15.19,;-3.52,-16.52,;-2.76,-17.86,;-1.22,-17.87,;-.46,-19.21,;-1.24,-20.54,;-.44,-16.53,;-1.2,-15.2,;-.43,-13.87,)|
COCCN(CCCF)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(4.19,-10.05,;5.52,-9.27,;6.86,-10.04,;8.19,-9.27,;9.53,-10.03,;10.86,-9.26,;12.19,-10.02,;13.53,-9.25,;14.86,-10.02,;9.53,-11.57,;8.2,-12.34,;8.2,-13.89,;6.87,-14.66,;9.54,-14.66,;10.87,-13.89,;12.34,-14.36,;13.25,-13.11,;14.79,-13.11,;12.34,-11.86,;10.87,-12.34,;13.18,-15.65,;12.38,-16.98,;13.13,-18.32,;14.67,-18.35,;15.43,-19.69,;14.64,-21.01,;15.46,-17.01,;14.71,-15.67,;15.5,-14.35,)|
COc1ccc(-c2c(C)nn3c(nc(C)nc23)N(CCCF)CCC#N)c(C)n1 |(31.44,-21.09,;32.23,-19.77,;31.49,-18.43,;29.95,-18.4,;29.2,-17.05,;30,-15.73,;29.17,-14.43,;30.08,-13.18,;31.62,-13.18,;29.17,-11.93,;27.7,-12.41,;26.36,-11.64,;25.03,-12.41,;25.03,-13.96,;23.7,-14.73,;26.37,-14.73,;27.7,-13.96,;26.36,-10.1,;27.69,-9.33,;29.03,-10.09,;30.36,-9.32,;31.69,-10.09,;25.02,-9.34,;23.69,-10.11,;22.35,-9.34,;21.02,-8.58,;31.53,-15.76,;32.33,-14.43,;32.28,-17.1,)|
COCCN(CCCF)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1
COCCN(CCCF)c1nc(C)nc2c(c(C)nn12)-c1cnc(OC)nc1
COCCN(CCCF)c1nc(C)nc2c(c(C)nn12)-c1cnc(OC)nc1OC |(20.11,-25.39,;21.44,-24.61,;22.77,-25.38,;24.1,-24.6,;25.44,-25.37,;26.77,-24.6,;28.11,-25.36,;29.44,-24.59,;30.78,-25.35,;25.45,-26.91,;24.12,-27.68,;24.11,-29.23,;22.78,-29.99,;25.45,-30,;26.78,-29.22,;28.25,-29.7,;29.17,-28.45,;30.71,-28.45,;28.25,-27.19,;26.78,-27.67,;29.08,-31,;28.28,-32.32,;29.02,-33.66,;30.56,-33.7,;31.31,-35.04,;30.51,-36.36,;31.36,-32.37,;30.61,-31.03,;31.41,-29.71,;32.95,-29.73,)|
CCCN(CCC)c1nc2n(C)cc(-c3c(C)cc(C)cc3C)c2c(=O)[nH]1 |(5.1,-48,;6.43,-47.22,;7.76,-47.99,;9.09,-47.22,;9.09,-45.68,;7.75,-44.91,;7.75,-43.37,;10.43,-47.98,;11.76,-47.2,;13.09,-47.98,;14.55,-47.5,;15.03,-46.04,;15.46,-48.75,;14.55,-50,;15.24,-51.37,;14.39,-52.65,;12.85,-52.56,;15.08,-54.03,;16.62,-54.12,;17.31,-55.5,;17.46,-52.83,;16.77,-51.46,;17.62,-50.17,;13.09,-49.52,;11.76,-50.28,;11.76,-51.82,;10.43,-49.52,)|
CCCN(CCC)c1nc(OC)c2c(cn(C)c2n1)-c1c(C)cc(C)cc1C |(20.52,-49.51,;21.85,-48.74,;23.19,-49.51,;24.52,-48.73,;24.51,-47.19,;23.18,-46.43,;23.17,-44.89,;25.85,-49.5,;25.85,-51.04,;27.18,-51.8,;27.18,-53.34,;25.85,-54.11,;28.51,-51.04,;29.98,-51.52,;30.88,-50.27,;29.98,-49.02,;30.45,-47.56,;28.51,-49.5,;27.18,-48.72,;30.67,-52.88,;29.81,-54.17,;28.28,-54.08,;30.5,-55.55,;32.04,-55.64,;32.73,-57.02,;32.89,-54.35,;32.2,-52.97,;33.04,-51.69,)|
CCN(CC)c1nc2n(C)cc(-c3c(C)cc(C)cc3C)c2c(=O)n1C |(-9.32,4.62,;-7.98,3.85,;-7.98,2.31,;-9.31,1.54,;-10.65,2.31,;-6.64,1.55,;-5.31,2.33,;-3.98,1.55,;-2.52,2.02,;-2.04,3.49,;-1.61,.78,;-2.52,-.47,;-1.88,-1.86,;-.36,-2.01,;.54,-.76,;.28,-3.41,;-.61,-4.67,;.02,-6.07,;-2.15,-4.52,;-2.78,-3.12,;-4.32,-2.96,;-3.98,.01,;-5.31,-.75,;-5.31,-2.29,;-6.64,.01,;-7.98,-.76,)|
CCCN(CCC)c1nc2n(C)cc(-c3c(C)cc(C)cc3C)c2c(=O)n1C |(1.74,1.64,;3.07,2.41,;4.4,1.65,;5.73,2.42,;5.73,3.96,;4.39,4.73,;4.39,6.27,;7.07,1.66,;8.4,2.43,;9.73,1.66,;11.19,2.13,;11.67,3.6,;12.1,.89,;11.19,-.36,;11.82,-1.76,;13.35,-1.92,;14.25,-.67,;13.98,-3.32,;13.07,-4.57,;13.7,-5.98,;11.54,-4.41,;10.91,-3.01,;9.38,-2.84,;9.73,.11,;8.4,-.65,;8.4,-2.19,;7.07,.12,;5.74,-.66,)|
CCCCN(CCCC)c1nc2n(C)cc(-c3c(C)cc(C)cc3C)c2c(=O)n1C |(15,2.77,;16.33,2.01,;17.67,2.78,;19,2.01,;20.33,2.79,;20.33,4.33,;18.99,5.09,;18.99,6.63,;17.65,7.4,;21.67,2.02,;23,2.8,;24.33,2.02,;25.79,2.5,;26.27,3.96,;26.7,1.25,;25.79,0,;26.44,-1.39,;27.97,-1.52,;28.85,-.26,;28.61,-2.92,;27.72,-4.18,;28.37,-5.58,;26.19,-4.04,;25.55,-2.64,;24.01,-2.5,;24.33,.48,;23,-.28,;23,-1.82,;21.67,.48,;20.34,-.29,)|
Cc1cc(C)c(-c2cn(C)c3nc(N(CC4CC4)CC4CC4)n(C)c(=O)c23)c(C)c1 |(42.69,-6.48,;41.97,-5.12,;40.43,-5.05,;39.72,-3.69,;38.18,-3.62,;40.55,-2.39,;39.84,-1.03,;40.75,.22,;39.84,1.46,;40.32,2.93,;38.37,.99,;37.04,1.77,;35.72,.99,;34.38,1.75,;34.38,3.29,;33.04,4.06,;32.28,5.39,;31.51,4.05,;33.05,.98,;31.71,1.75,;30.94,3.08,;30.18,1.74,;35.72,-.55,;34.38,-1.32,;37.04,-1.31,;37.04,-2.85,;38.37,-.55,;42.08,-2.45,;42.91,-1.15,;42.8,-3.81,)|
Cc1cc(C)c(-c2cn(C)c3nc(N4CCCCC4)n(C)c(=O)c23)c(C)c1 |(.19,-18.78,;-.44,-17.38,;.47,-16.12,;-.16,-14.72,;.74,-13.48,;-1.68,-14.56,;-2.31,-13.16,;-1.4,-11.92,;-2.31,-10.67,;-1.83,-9.2,;-3.77,-11.15,;-5.1,-10.37,;-6.43,-11.15,;-7.77,-10.38,;-7.78,-8.84,;-9.1,-8.08,;-10.44,-8.84,;-10.44,-10.39,;-9.1,-11.16,;-6.43,-12.69,;-7.76,-13.46,;-5.1,-13.45,;-5.1,-14.99,;-3.77,-12.69,;-2.59,-15.81,;-4.13,-15.64,;-1.97,-17.21,)|
CCCN(CCC)c1nc2n(C)c(C)c(-c3c(C)cc(C)cc3C)c2c(=O)n1C |(5.56,-11.71,;6.89,-10.93,;8.23,-11.7,;9.56,-10.92,;9.56,-9.38,;8.22,-8.62,;8.22,-7.08,;10.9,-11.69,;12.23,-10.91,;13.55,-11.69,;15.02,-11.21,;15.5,-9.75,;15.93,-12.46,;17.47,-12.46,;15.02,-13.71,;15.71,-15.08,;14.86,-16.36,;13.32,-16.27,;15.54,-17.74,;17.08,-17.83,;17.77,-19.21,;17.93,-16.54,;17.24,-15.17,;18.08,-13.88,;13.55,-13.23,;12.23,-13.99,;12.23,-15.53,;10.9,-13.23,;9.56,-14,)|
CCCN(CCC)c1nc2n(C)c(C)c(-c3ccc(C)cc3C)c2c(=O)n1C |(22.56,-11.53,;23.89,-10.75,;25.22,-11.52,;26.56,-10.75,;26.55,-9.21,;25.21,-8.44,;25.21,-6.9,;27.89,-11.51,;29.22,-10.73,;30.55,-11.51,;32.02,-11.03,;32.49,-9.57,;32.92,-12.28,;34.46,-12.28,;32.02,-13.53,;32.67,-14.91,;34.2,-15.04,;34.86,-16.43,;33.98,-17.7,;34.63,-19.09,;32.44,-17.57,;31.79,-16.18,;30.25,-16.05,;30.55,-13.05,;29.22,-13.81,;29.22,-15.35,;27.89,-13.05,;26.56,-13.82,)|
CCCN(CCC)c1nc2n(C)cc(-c3ccc(C)cc3C)c2c(=O)n1C
CCCN(CCC)c1nc2n(C)cc(-c3c(OC)cc(OC)cc3OC)c2c(=O)n1C |(5.8,-23.67,;7.13,-22.89,;8.47,-23.66,;9.8,-22.89,;9.8,-21.35,;8.46,-20.58,;8.46,-19.04,;11.14,-23.65,;12.47,-22.87,;13.8,-23.65,;15.26,-23.18,;15.74,-21.71,;16.17,-24.42,;15.26,-25.67,;15.88,-27.07,;17.41,-27.23,;18.31,-25.99,;19.85,-26.15,;18.03,-28.64,;17.12,-29.89,;17.75,-31.3,;16.84,-32.54,;15.59,-29.72,;14.97,-28.31,;13.44,-28.15,;12.53,-29.39,;13.8,-25.19,;12.47,-25.95,;12.47,-27.49,;11.14,-25.19,;9.81,-25.96,)|
CCCN(CCC)c1nc2n(C)cc(-c3ccc(OC)cc3OC)c2c(=O)n1C
CCCN(CCC)c1nc2n(C)cc(-c3ccc(cc3C(F)(F)F)C(F)(F)F)c2c(=O)n1C
CCCN(CCC)c1nc(Cl)c2c(cn(C)c2n1)-c1c(C)cc(C)cc1C |(-9.78,-47.02,;-8.44,-46.25,;-7.11,-47.02,;-5.78,-46.24,;-5.78,-44.7,;-7.12,-43.94,;-7.12,-42.4,;-4.44,-47.01,;-4.44,-48.55,;-3.11,-49.31,;-3.11,-50.85,;-1.78,-48.55,;-.32,-49.03,;.59,-47.78,;-.32,-46.53,;.16,-45.07,;-1.78,-47.01,;-3.11,-46.23,;.37,-50.4,;-.48,-51.68,;-2.02,-51.59,;.21,-53.06,;1.74,-53.15,;2.43,-54.53,;2.59,-51.86,;1.9,-50.49,;2.75,-49.2,)|
Cc1nn2c(NCCN)cc(C)nc2c1-c1c(C)cc(C)cc1C |(-6.18,-.74,;-4.64,-.74,;-3.73,.51,;-2.26,.03,;-.93,.79,;-.93,2.33,;.4,3.11,;1.73,2.34,;3.07,3.11,;.41,.03,;.41,-1.52,;1.75,-2.29,;-.93,-2.29,;-2.26,-1.52,;-3.73,-2,;-4.49,-3.34,;-6.03,-3.34,;-6.8,-2.01,;-6.78,-4.68,;-6,-6.01,;-6.75,-7.35,;-4.45,-5.99,;-3.7,-4.65,;-2.16,-4.63,)|
CCN(CCN)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3c12 |(1.53,-.87,;2.87,-.1,;4.2,-.86,;5.53,-.09,;6.87,-.86,;8.2,-.08,;4.2,-2.4,;5.54,-3.17,;5.54,-4.72,;6.88,-5.48,;4.21,-5.49,;2.87,-4.72,;1.4,-5.19,;.64,-6.53,;-.89,-6.54,;-1.67,-5.21,;-1.65,-7.88,;-.86,-9.21,;-1.62,-10.55,;.68,-9.19,;1.43,-7.85,;2.97,-7.82,;.49,-3.94,;-1.04,-3.78,;-1.67,-2.38,;-.76,-1.12,;.78,-1.28,;1.4,-2.69,;2.88,-3.17,)|
CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(OC(F)F)cc1Cl
CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(OC)cc1Cl
CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(OC(F)(F)F)cc1OC
CCOc1ccc(c(Cl)c1)-c1nc(OC)c(NC(CC)CC)nc1C
CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(OC(F)F)cc1Cl
CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(OC(F)(F)F)cc1OC
CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC(F)F)cc1Cl
CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC)cc1C(F)(F)F
CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(cc1OC)C(F)(F)F
CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC)cc1CC
CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(OC)c(nc1C)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(OC)c(nc1OC)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(C)c(nc1C)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(C)c(nc1CC)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(CC)c(nc1C)-c1ccc(Cl)cc1Cl
CCCCc1nc(c(CC)nc1NC(CC)CC)-c1ccc(Cl)cc1Cl
CCOc1nc(c(CC)nc1NC(CC)CC)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(CC)c(nc1I)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(CC)c(nc1Cl)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(CC)c(nc1F)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1cnc(c(CC)n1)-c1ccc(Cl)cc1Cl
CCC(CC)Cc1nc(CC)c(nc1CC)-c1ccc(Cl)cc1Cl
CCC(C)Sc1nc(CC)c(nc1CC)-c1ccc(Cl)cc1Cl
CCC(CC)Oc1nc(CC)c(nc1CC)-c1ccc(Cl)cc1Cl
CCCN(CCN(C)C)c1nc(CC)c(nc1CC)-c1ccc(Cl)cc1Cl
CCc1nc(c(CC)nc1N(CCOC)CCOC)-c1ccc(Cl)cc1Cl
CCCN(CC1CC1)c1nc(CC)c(nc1CC)-c1ccc(Cl)cc1Cl
CCc1nc(c(CC)nc1N(CC1CC1)CC1CC1)-c1ccc(Cl)cc1Cl
CCc1nc(c(CC)nc1NC(C)CN(C)C)-c1ccc(Cl)cc1Cl
CCc1nc(c(CC)nc1NC(COC)COC)-c1ccc(Cl)cc1Cl
CCc1nc(c(CC)nc1NC(C1CC1)C1CC1)-c1ccc(Cl)cc1Cl
CCC(CC)Nc1nc(CC)c(nc1CC)-c1cnc(OC)nc1OC
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC)nc1OC
CCC(CC)Nc1nc(CC)c(nc1CC)-c1cnc(C)cc1N(C)C
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC)cc1C(F)(F)F
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC)cc1OC(F)(F)F
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC)cc1O
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(cc1OC)C(F)(F)F
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(C)cc1OC
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC(C)C)cc1OC
CCOc1ccc(c(OC)c1)-c1nc(CC)c(NC(CC)CC)nc1CC
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC(F)(F)F)cc1OC
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC)cc1OC
CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(Cl)cc1Cl
CCC(CC)Oc1cc(C)c(Oc2c(C)cc(C)cc2C)nc1C
COCCC(CCOC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(11.15,-15.32,;12.48,-14.54,;13.82,-15.31,;15.15,-14.54,;16.49,-15.3,;16.49,-16.84,;15.16,-17.62,;13.82,-16.85,;12.49,-17.62,;17.82,-14.53,;19.15,-15.3,;19.15,-16.84,;20.49,-17.61,;20.49,-19.15,;21.83,-16.84,;21.82,-15.29,;22.96,-14.25,;22.33,-12.85,;23.09,-11.51,;20.8,-13.01,;20.48,-14.52,;24.47,-14.57,;24.94,-16.03,;26.45,-16.34,;27.48,-15.19,;28.99,-15.5,;29.47,-16.97,;26.99,-13.72,;25.48,-13.42,;24.99,-11.96,)|
CCC(CC)Oc1c(C)nc(nc1OC)-c1c(OC)cc(Cl)cc1OC
CCCN(CCC)c1c(C)ncc2c(cccc12)-c1ccc(Cl)cc1Cl
CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc(nc1Cl)N1CCOCC1 |(8.98,-11.26,;8.98,-12.8,;7.65,-13.58,;6.32,-12.81,;4.99,-13.59,;7.66,-15.12,;6.34,-15.89,;6.33,-17.43,;5,-18.2,;7.67,-18.2,;9.01,-17.43,;10.49,-17.9,;11.4,-16.64,;12.94,-16.63,;10.48,-15.39,;9,-15.88,;10.98,-19.36,;12.45,-19.83,;12.46,-21.37,;11,-21.85,;10.09,-20.61,;8.55,-20.62,;13.71,-22.26,;13.55,-23.79,;14.79,-24.69,;16.2,-24.06,;16.36,-22.53,;15.11,-21.62,)|
COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1 |r|
CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(cc1OC)C(F)(F)F
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-2.08,4.74,;-3.43,3.99,;-3.46,2.45,;-2.14,1.66,;-.79,2.41,;-4.8,1.71,;-4.83,.17,;-6.18,-.57,;-7.64,-.07,;-8.57,-1.3,;-7.69,-2.56,;-6.21,-2.12,;-4.89,-2.91,;-3.53,-2.16,;-2.08,-2.65,;-1.16,-1.42,;.38,-1.43,;-2.05,-.16,;-3.51,-.62,;-1.62,-4.12,;-2.66,-5.25,;-2.21,-6.72,;-.7,-7.05,;-.24,-8.52,;-1.29,-9.66,;.34,-5.91,;-.12,-4.45,;.92,-3.31,)|
CCC(CC)Nc1c2OCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C |(13.98,4.51,;12.63,3.77,;12.61,2.23,;13.92,1.43,;15.27,2.18,;11.26,1.48,;11.23,-.06,;9.88,-.8,;8.42,-.3,;7.49,-1.53,;8.37,-2.79,;9.85,-2.34,;11.17,-3.14,;12.53,-2.38,;13.98,-2.87,;14.9,-1.64,;16.44,-1.66,;14.01,-.39,;12.55,-.85,;14.44,-4.34,;13.4,-5.47,;13.85,-6.94,;15.36,-7.28,;15.82,-8.75,;14.78,-9.88,;16.4,-6.14,;15.94,-4.67,;16.98,-3.54,)|
CCC(CC)Nc1c2SCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C |(29.13,4.45,;27.79,3.71,;27.76,2.17,;29.08,1.37,;30.42,2.12,;26.41,1.42,;26.38,-.12,;25.03,-.86,;23.57,-.36,;22.64,-1.59,;23.52,-2.85,;25,-2.4,;26.32,-3.2,;27.68,-2.44,;29.13,-2.94,;30.05,-1.7,;31.59,-1.72,;29.16,-.45,;27.7,-.91,;29.59,-4.41,;28.55,-5.53,;29.01,-7,;30.51,-7.34,;30.97,-8.81,;29.93,-9.95,;31.55,-6.2,;31.09,-4.74,;32.13,-3.6,)|
CCC(CC)Nc1c2NCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-1.6,-13.26,;-2.94,-14,;-2.97,-15.54,;-1.65,-16.34,;-.31,-15.59,;-4.32,-16.29,;-4.35,-17.83,;-5.7,-18.57,;-7.16,-18.07,;-8.09,-19.3,;-7.21,-20.56,;-5.73,-20.11,;-4.41,-20.91,;-3.05,-20.15,;-1.6,-20.65,;-.68,-19.41,;.86,-19.43,;-1.57,-18.16,;-3.03,-18.62,;-1.14,-22.12,;-2.18,-23.24,;-1.72,-24.71,;-.22,-25.05,;.24,-26.52,;-.8,-27.66,;.82,-23.91,;.36,-22.45,;1.4,-21.31,)|
CCC(CC)Nc1c2COCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C |(15.25,-13.3,;13.9,-14.05,;13.87,-15.59,;15.19,-16.38,;16.54,-15.64,;12.53,-16.33,;12.5,-17.87,;11.14,-18.62,;9.69,-18.11,;8.76,-19.35,;9.64,-20.61,;11.12,-20.16,;12.44,-20.96,;13.8,-20.2,;15.25,-20.69,;16.17,-19.46,;17.71,-19.48,;15.28,-18.21,;13.81,-18.66,;15.71,-22.16,;14.66,-23.29,;15.12,-24.76,;16.63,-25.1,;17.09,-26.57,;16.04,-27.7,;17.67,-23.96,;17.21,-22.49,;18.25,-21.36,)|
CCC(CC)Nc1c2CSCc2nc2c(c(C)nn12)-c1ccc(OC)cc1C |(31.02,-13.82,;29.68,-14.56,;29.65,-16.1,;30.97,-16.9,;32.31,-16.15,;28.3,-16.85,;28.27,-18.39,;26.92,-19.13,;25.46,-18.63,;24.53,-19.86,;25.41,-21.12,;26.89,-20.67,;28.21,-21.47,;29.57,-20.71,;31.02,-21.21,;31.94,-19.97,;33.48,-19.99,;31.05,-18.72,;29.59,-19.18,;31.48,-22.68,;30.44,-23.8,;30.9,-25.27,;32.4,-25.61,;32.86,-27.08,;31.82,-28.22,;33.44,-24.47,;32.98,-23.01,;34.02,-21.87,)|
CCC(CC)Nc1c2CCCc2nc2c(cnn12)-c1ccc(OC)cc1C
CCC(CC)Nc1c2CCCc2nc2c(c(CC)nn12)-c1ccc(OC)cc1C |(7.87,-29.24,;6.52,-29.99,;6.49,-31.53,;7.81,-32.32,;9.16,-31.58,;5.14,-32.27,;5.12,-33.81,;3.76,-34.56,;2.31,-34.05,;1.38,-35.28,;2.26,-36.55,;3.73,-36.1,;5.12,-36.95,;6.41,-36.14,;7.87,-36.63,;8.79,-35.4,;10.33,-35.41,;11.11,-34.09,;7.9,-34.14,;6.43,-34.6,;8.33,-38.1,;7.28,-39.23,;7.74,-40.7,;9.24,-41.04,;9.7,-42.51,;8.66,-43.64,;10.29,-39.89,;9.83,-38.43,;10.87,-37.29,)|
CCC(CC)Nc1c2CCCc2nc2c(c(nn12)C1CCC1)-c1ccc(OC)cc1C |(20.34,-29.88,;18.99,-30.62,;18.96,-32.16,;20.28,-32.96,;21.63,-32.21,;17.61,-32.91,;17.58,-34.45,;16.23,-35.19,;14.77,-34.69,;13.84,-35.92,;14.73,-37.18,;16.2,-36.74,;17.52,-37.53,;18.88,-36.77,;20.34,-37.27,;21.26,-36.03,;20.37,-34.78,;18.9,-35.24,;22.8,-36.05,;23.86,-37.16,;24.97,-36.08,;23.89,-34.98,;20.8,-38.74,;19.75,-39.87,;20.21,-41.33,;21.71,-41.67,;22.17,-43.14,;21.13,-44.28,;22.76,-40.53,;22.29,-39.07,;23.33,-37.93,)|
CCC(CC)Nc1c2CCCc2nc2c(c(nn12)C(F)(F)F)-c1ccc(OC)cc1C |(32.15,-30.33,;30.8,-31.08,;30.77,-32.62,;32.09,-33.41,;33.44,-32.66,;29.43,-33.36,;29.4,-34.9,;28.05,-35.64,;26.59,-35.14,;25.66,-36.37,;26.54,-37.63,;28.02,-37.19,;29.34,-37.98,;30.7,-37.23,;32.15,-37.72,;33.07,-36.49,;32.18,-35.23,;30.72,-35.69,;34.61,-36.5,;35.36,-37.85,;35.4,-35.18,;36.14,-36.5,;32.61,-39.19,;31.57,-40.32,;32.02,-41.79,;33.53,-42.12,;33.99,-43.59,;32.94,-44.73,;34.57,-40.98,;34.11,-39.52,;35.15,-38.38,)|
CCC(CC)Nc1c2CCCc2nc2c(c(CSC)nn12)-c1ccc(OC)cc1C |(44.51,-29.45,;43.16,-30.2,;43.13,-31.74,;44.45,-32.53,;45.8,-31.79,;41.79,-32.48,;41.76,-34.02,;40.4,-34.77,;38.95,-34.26,;38.02,-35.49,;38.9,-36.76,;40.38,-36.31,;41.7,-37.1,;43.06,-36.35,;44.51,-36.84,;45.43,-35.61,;46.97,-35.62,;47.75,-34.3,;49.29,-34.32,;44.54,-34.35,;43.07,-34.81,;44.97,-38.31,;43.92,-39.44,;44.38,-40.91,;45.89,-41.25,;46.35,-42.72,;45.3,-43.85,;46.93,-40.1,;46.47,-38.64,;47.51,-37.5,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(C)cc1C |(-1.88,4.93,;-3.22,4.18,;-3.25,2.64,;-1.93,1.85,;-.59,2.59,;-4.6,1.9,;-4.63,.36,;-5.98,-.39,;-7.44,.12,;-8.37,-1.11,;-7.49,-2.38,;-6.01,-1.93,;-4.69,-2.73,;-3.33,-1.97,;-1.88,-2.46,;-.96,-1.23,;.58,-1.25,;-1.85,.02,;-3.31,-.43,;-1.42,-3.93,;-2.46,-5.06,;-2,-6.53,;-.5,-6.87,;-.04,-8.34,;.54,-5.73,;.08,-4.26,;1.12,-3.13,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(F)cc1C |(12.52,4.29,;11.17,3.54,;11.14,2,;12.46,1.21,;13.81,1.95,;9.8,1.26,;9.77,-.28,;8.41,-1.03,;6.96,-.52,;6.03,-1.75,;6.91,-3.02,;8.39,-2.57,;9.65,-3.42,;11.07,-2.61,;12.52,-3.1,;13.44,-1.87,;14.98,-1.88,;12.55,-.61,;11.08,-1.07,;12.98,-4.57,;11.93,-5.7,;12.39,-7.17,;13.9,-7.51,;14.36,-8.98,;14.94,-6.36,;14.48,-4.9,;15.52,-3.76,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(cc1C)N(C)C |(26.44,3.99,;25.09,3.25,;25.07,1.71,;26.38,.91,;27.73,1.66,;23.72,.96,;23.69,-.58,;22.34,-1.32,;20.88,-.82,;19.95,-2.05,;20.83,-3.31,;22.31,-2.86,;23.63,-3.66,;24.99,-2.9,;26.44,-3.39,;27.36,-2.16,;28.9,-2.18,;26.47,-.91,;25.01,-1.37,;26.9,-4.86,;25.86,-5.99,;26.31,-7.46,;27.82,-7.8,;28.86,-6.66,;28.4,-5.2,;29.44,-4.06,;28.28,-9.27,;27.24,-10.4,;29.78,-9.61,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1cc(C)ccc1C |(38.64,4.34,;37.29,3.6,;37.26,2.06,;38.58,1.26,;39.93,2.01,;35.91,1.31,;35.88,-.23,;34.53,-.97,;33.07,-.47,;32.14,-1.7,;33.03,-2.96,;34.5,-2.51,;35.83,-3.31,;37.18,-2.55,;38.64,-3.04,;39.56,-1.81,;41.1,-1.83,;38.67,-.56,;37.2,-1.02,;39.1,-4.51,;38.05,-5.64,;38.51,-7.11,;37.46,-8.24,;40.01,-7.45,;41.06,-6.31,;40.6,-4.85,;41.64,-3.71,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1cc(C)c(OC)cc1C |(-1.74,-12.88,;-3.09,-13.63,;-3.12,-15.17,;-1.8,-15.96,;-.45,-15.22,;-4.47,-15.91,;-4.5,-17.45,;-5.85,-18.2,;-7.31,-17.69,;-8.24,-18.93,;-7.35,-20.19,;-5.88,-19.74,;-4.56,-20.54,;-3.2,-19.78,;-1.74,-20.27,;-.83,-19.04,;.71,-19.06,;-1.71,-17.79,;-3.18,-18.24,;-1.28,-21.74,;-2.33,-22.87,;-1.87,-24.34,;-2.92,-25.47,;-.37,-24.68,;.09,-26.15,;-.95,-27.28,;.68,-23.54,;.21,-22.07,;1.25,-20.94,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1c(C)cc(OC)cc1C |(11.43,-13.22,;10.08,-13.96,;10.05,-15.5,;11.37,-16.3,;12.72,-15.55,;8.71,-16.25,;8.68,-17.79,;7.33,-18.53,;5.87,-18.03,;4.94,-19.26,;5.82,-20.52,;7.3,-20.08,;8.62,-20.87,;9.98,-20.11,;11.43,-20.61,;12.35,-19.37,;13.89,-19.39,;11.46,-18.12,;10,-18.58,;11.89,-22.08,;13.39,-22.41,;14.43,-21.27,;13.85,-23.87,;12.81,-25.01,;13.27,-26.48,;12.22,-27.62,;11.3,-24.67,;10.85,-23.21,;9.34,-22.87,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(23.48,-13.44,;22.13,-14.18,;22.1,-15.72,;23.42,-16.52,;24.77,-15.77,;20.75,-16.47,;20.72,-18.01,;19.37,-18.75,;17.91,-18.25,;16.98,-19.48,;17.87,-20.74,;19.34,-20.29,;20.67,-21.09,;22.02,-20.33,;23.48,-20.82,;24.4,-19.59,;25.94,-19.61,;23.51,-18.34,;22.04,-18.8,;23.94,-22.29,;22.89,-23.42,;23.35,-24.89,;24.85,-25.23,;25.31,-26.7,;24.27,-27.83,;25.9,-24.09,;25.44,-22.62,;26.47,-21.49,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1SC |(36.6,-14.42,;35.25,-15.17,;35.22,-16.71,;36.54,-17.5,;37.89,-16.76,;33.88,-17.45,;33.85,-18.99,;32.49,-19.74,;31.04,-19.23,;30.11,-20.47,;30.99,-21.73,;32.47,-21.28,;33.79,-22.08,;35.15,-21.32,;36.6,-21.81,;37.52,-20.58,;39.06,-20.6,;36.63,-19.33,;35.16,-19.78,;37.06,-23.28,;36.01,-24.41,;36.47,-25.88,;37.98,-26.22,;38.44,-27.69,;37.39,-28.82,;39.02,-25.08,;38.56,-23.61,;39.6,-22.48,;41.1,-22.81,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC)c(OC)c1
CCOc1ccc(-c2c(C)nn3c(NC(CC)CC)c4CCCc4nc23)c(Cl)c1 |(11.29,-47.27,;10.83,-45.8,;11.87,-44.67,;11.41,-43.2,;9.91,-42.86,;9.45,-41.39,;10.5,-40.26,;10.04,-38.79,;10.96,-37.56,;12.5,-37.58,;10.07,-36.31,;8.6,-36.76,;7.29,-35.97,;7.31,-34.43,;8.66,-33.69,;8.69,-32.15,;10.04,-31.4,;9.98,-34.48,;11.33,-33.74,;5.93,-36.72,;4.48,-36.21,;3.55,-37.44,;4.43,-38.71,;5.9,-38.26,;7.23,-39.06,;8.58,-38.3,;12,-40.59,;13.04,-39.46,;12.46,-42.06,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC(F)(F)F)cc1Cl |(22.39,-31.23,;21.04,-31.98,;21.01,-33.52,;22.33,-34.31,;23.68,-33.57,;19.67,-34.26,;19.64,-35.8,;18.28,-36.55,;16.83,-36.04,;15.9,-37.27,;16.78,-38.54,;18.26,-38.09,;19.58,-38.89,;20.94,-38.13,;22.39,-38.62,;23.31,-37.39,;24.85,-37.41,;22.42,-36.13,;20.95,-36.59,;22.85,-40.09,;21.8,-41.22,;22.26,-42.69,;23.77,-43.03,;24.23,-44.5,;23.18,-45.63,;23.64,-47.1,;21.68,-45.29,;22.08,-46.71,;24.81,-41.89,;24.35,-40.42,;25.39,-39.28,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(34.43,-32.02,;33.08,-32.76,;33.05,-34.3,;34.37,-35.1,;35.72,-34.35,;31.71,-35.05,;31.68,-36.59,;30.32,-37.33,;28.87,-36.83,;27.94,-38.06,;28.82,-39.32,;30.3,-38.87,;31.62,-39.67,;32.98,-38.91,;34.43,-39.41,;35.35,-38.17,;36.89,-38.19,;34.46,-36.92,;32.99,-37.38,;34.89,-40.88,;33.84,-42,;34.3,-43.47,;35.81,-43.81,;36.27,-45.28,;36.85,-42.67,;36.39,-41.21,;37.43,-40.07,)|
CCC(CC)Nc1c2CCCc2nc2c(c(C)nn12)-c1ccc(OC(F)F)cc1Cl |(46.52,-30.65,;45.17,-31.39,;45.14,-32.93,;46.46,-33.73,;47.81,-32.98,;43.79,-33.68,;43.76,-35.22,;42.41,-35.96,;40.95,-35.46,;40.02,-36.69,;40.91,-37.95,;42.38,-37.51,;43.7,-38.3,;45.06,-37.54,;46.52,-38.04,;47.44,-36.8,;48.98,-36.82,;46.55,-35.55,;45.08,-36.01,;46.98,-39.51,;45.93,-40.64,;46.39,-42.1,;47.89,-42.44,;48.35,-43.91,;47.31,-45.05,;47.77,-46.52,;45.81,-44.71,;48.94,-41.3,;48.47,-39.84,;49.51,-38.7,)|
CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(-1.48,5.16,;-2.83,4.41,;-2.86,2.87,;-1.54,2.08,;-.19,2.83,;-4.2,2.13,;-4.23,.59,;-5.59,-.15,;-5.61,-1.7,;-6.96,-2.44,;-4.29,-2.55,;-2.93,-1.74,;-1.48,-2.23,;-.56,-1,;.98,-1.01,;-1.45,.26,;-2.92,-.2,;-1.02,-3.7,;-2.07,-4.83,;-1.61,-6.3,;-.1,-6.63,;.36,-8.1,;-.69,-9.24,;.94,-5.49,;.48,-4.03,;1.52,-2.89,)|
CCC(CC)Nc1c(C)c(C)nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(13.79,4.7,;12.44,3.96,;12.41,2.42,;13.73,1.62,;15.08,2.37,;11.06,1.67,;11.03,.13,;9.68,-.61,;8.36,.18,;9.65,-2.16,;8.31,-2.9,;10.98,-2.95,;12.33,-2.19,;13.79,-2.69,;14.71,-1.45,;16.25,-1.47,;13.82,-.2,;12.35,-.66,;14.25,-4.16,;13.2,-5.29,;13.66,-6.75,;15.16,-7.09,;15.62,-8.56,;14.58,-9.7,;16.21,-5.95,;15.75,-4.49,;16.79,-3.35,)|
CCC(CC)Nc1c2OCCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(27.95,4.87,;26.6,4.13,;26.57,2.59,;27.89,1.79,;29.24,2.54,;25.23,1.84,;25.2,.3,;23.85,-.44,;22.39,.06,;21.46,-1.17,;22.34,-2.43,;23.82,-1.98,;25.14,-2.78,;26.5,-2.02,;27.95,-2.52,;28.87,-1.28,;30.41,-1.3,;27.98,-.03,;26.52,-.49,;28.41,-3.99,;27.37,-5.11,;27.82,-6.58,;29.33,-6.92,;29.79,-8.39,;28.74,-9.53,;30.37,-5.78,;29.91,-4.32,;30.95,-3.18,)|
CCC(CC)Nc1c2COCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(-.65,-11.56,;-2,-12.31,;-2.02,-13.85,;-.71,-14.64,;.64,-13.9,;-3.37,-14.59,;-3.4,-16.13,;-4.75,-16.88,;-6.21,-16.37,;-7.14,-17.6,;-6.26,-18.87,;-4.78,-18.42,;-3.4,-19.27,;-2.1,-18.46,;-.65,-18.95,;.27,-17.72,;1.81,-17.74,;-.62,-16.46,;-2.08,-16.92,;-.19,-20.42,;-1.23,-21.55,;-.78,-23.02,;.73,-23.36,;1.19,-24.83,;.15,-25.96,;1.77,-22.22,;1.31,-20.75,;2.35,-19.61,)|
CCC(CC)Nc1c2CCOc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl |(15.19,-12.03,;13.84,-12.77,;13.81,-14.31,;15.13,-15.11,;16.48,-14.36,;12.46,-15.06,;12.43,-16.6,;11.08,-17.34,;9.62,-16.84,;8.69,-18.07,;9.58,-19.33,;11.05,-18.89,;12.38,-19.74,;13.73,-18.92,;15.19,-19.42,;16.11,-18.18,;17.65,-18.2,;15.22,-16.93,;13.75,-17.39,;15.65,-20.89,;14.6,-22.02,;15.06,-23.48,;16.56,-23.82,;17.02,-25.29,;15.98,-26.43,;17.61,-22.68,;17.15,-21.22,;18.19,-20.08,)|
CCCN(CCC)c1c(C(C)C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
CCCCc1c(Nc2ccc(OC)cc2Cl)nc2ccnn2c1N(CCC)CCC
CCCN(CCC)c1c(C2CCCC2)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
CCCN(CCC)c1c(OC)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
CCCN(CCC)c1cc(nc2ccnn12)N(C)c1ccc(OC)cc1Cl
CCCN(CCC)c1cc(nc2ccnn12)N(CC)c1ccc(OC)cc1Cl
CCCN(CCC)c1cc(nc2ccnn12)N(CCC)c1ccc(OC)cc1Cl
CCCN(CCC)c1cc(nc2ccnn12)N(CC(C)=C)c1ccc(OC)cc1Cl
CCCN(CCC)c1cc(nc2ccnn12)N(CC=C)c1ccc(OC)cc1Cl
CCCN(CCC)c1cc(nc2ccnn12)N(CC1CC1)c1ccc(OC)cc1Cl
CCCN(CCC)c1cc(nc2ccnn12)N(CCOC)c1ccc(OC)cc1Cl
CCCN(CCC)c1cc(nc2ccnn12)N(COC)c1ccc(OC)cc1Cl
CCC(CC)Nc1c(C)c(Nc2ccc(OC)cc2Cl)nc2ncnn12
CCC(CC)Nc1cc(nc2ncnn12)N(C)c1ccc(OC)cc1Cl
CCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2ncnn12
CCCN(CCC)c1cc(nc2ncnn12)N(C)c1ccc(OC)cc1Cl
CCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2nccn12
CCCN(CCC)c1cc(nc2nccn12)N(C)c1ccc(OC)cc1Cl
CCCN(CCC)c1cc(nc2nccn12)N(CC)c1ccc(OC)cc1Cl
CCCN(CCC)c1nc(nc2ccnn12)N(C)c1ccc(OC)cc1Cl
CCC(CC)n1ccc2c(Nc3ccc(OC)cc3Cl)nc3ccnn3c12
CCC(CC)n1ccc2c(Nc3ccc(OC)cc3CC)nc3ccnn3c12
CCC(CC)n1ccc2c(Nc3ccc(Cl)cc3CC)nc3ccnn3c12
CCC(CC)n1ccc2c(Cc3c(C)cc(C)cc3C)nc3ccnn3c12
CCC(CC)n1ccc2c(Oc3ccc(CC)cc3OC)nc3ccnn3c12
CCC(CC)Nc1cc(Nc2ccc(OC)cc2Cl)nc2ccnn12
CCC(CC)Nc1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
CCCN(CCC)c1cc(Nc2ccc(OC)cc2Cl)nc2ccnn12
CCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
CCCN(CCC)c1c(CC)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
CCCN(CCC)c1c(CCC)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
CCC(CC)n1ccc2c(Nc3c(C)cc(C)cc3C)nc3ccnn3c12
COc1ccc(c(C)c1)-n1ncc2c(NC(C3CC3)C3CC3)nc(C)nc12
COc1ccc(c(C)c1)-n1cnc2c(NC(C3CC3)C3CC3)nc(C)nc12
COc1ccc(cc1)-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12
COc1ccc(c(C)c1)-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12 |(20.29,-8.23,;21.04,-6.89,;20.24,-5.57,;18.7,-5.59,;17.91,-4.27,;18.66,-2.93,;20.2,-2.9,;20.94,-1.55,;20.99,-4.21,;17.87,-1.61,;18.78,-.36,;20.32,-.36,;17.87,.9,;16.4,.42,;15.06,1.18,;15.06,2.72,;13.72,3.49,;13.72,5.03,;14.48,6.35,;12.94,6.35,;12.39,2.71,;10.85,2.71,;11.62,1.38,;13.73,.41,;13.73,-1.13,;12.4,-1.9,;15.07,-1.9,;16.4,-1.13,)|
COCc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC)cc1
COc1ccc(cc1)-n1c(CC2CC2)nc2c(NC(C3CC3)C3CC3)nc(C)nc12
COc1ccc(cc1)-n1c(CC(C)C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12
COc1ccc(cc1)-n1c(nc2c(NC(C3CC3)C3CC3)nc(C)nc12)C1CCCO1
COc1ccc(cc1)-n1c(nc2c(NC(C3CC3)C3CC3)nc(C)nc12)C1CC(F)(F)C1
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(cc1)C#N
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(cc1)S(C)(=O)=O
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(Cl)cc1
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(F)cc1
CCOc1ccc(cc1)-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC(F)(F)F)cc1
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC(F)F)cc1
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC(F)F)cc1Cl |(10.94,-43.27,;9.4,-43.27,;8.49,-42.02,;7.02,-42.5,;5.68,-41.73,;5.68,-40.19,;4.34,-39.43,;4.34,-37.89,;5.1,-36.57,;3.56,-36.56,;3.01,-40.2,;1.47,-40.21,;2.24,-41.54,;4.35,-42.51,;4.35,-44.05,;3.02,-44.82,;5.69,-44.82,;7.02,-44.05,;8.49,-44.53,;9.28,-45.85,;8.53,-47.19,;9.32,-48.51,;10.86,-48.49,;11.66,-49.8,;10.91,-51.15,;11.7,-52.47,;9.37,-51.18,;11.61,-47.13,;10.82,-45.82,;11.56,-44.47,)|
COc1ccc(c(Cl)c1)-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12 |(24.71,-51.72,;25.46,-50.37,;24.66,-49.05,;23.12,-49.08,;22.33,-47.76,;23.08,-46.42,;24.61,-46.38,;25.36,-45.03,;25.41,-47.7,;22.29,-45.1,;23.2,-43.84,;24.74,-43.84,;22.29,-42.59,;20.81,-43.07,;19.48,-42.3,;19.47,-40.76,;18.14,-40,;18.13,-38.46,;18.9,-37.13,;17.36,-37.13,;16.81,-40.77,;15.27,-40.77,;16.04,-42.11,;18.15,-43.07,;18.15,-44.62,;16.81,-45.39,;19.48,-45.39,;20.82,-44.62,)|
COc1cc(OC(F)F)ccc1-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc12 |(44.5,-44.78,;42.97,-44.81,;42.22,-46.16,;43.02,-47.47,;42.27,-48.83,;43.06,-50.15,;42.32,-51.49,;43.11,-52.81,;40.78,-51.52,;40.73,-48.85,;39.94,-47.53,;40.69,-46.19,;39.9,-44.87,;40.81,-43.62,;42.35,-43.62,;39.9,-42.36,;38.42,-42.84,;37.09,-42.08,;37.08,-40.54,;35.75,-39.77,;35.74,-38.23,;36.51,-36.91,;34.97,-36.91,;34.42,-40.55,;32.88,-40.55,;33.65,-41.88,;35.76,-42.85,;35.76,-44.39,;34.42,-45.16,;37.09,-45.16,;38.42,-44.39,)|
Cc1nc2c(NC(C3CC3)C3CC3)nc(C)nc2n1-c1ccc(OC(F)F)cc1F |(42.35,-43.62,;40.81,-43.62,;39.9,-42.36,;38.42,-42.84,;37.09,-42.08,;37.08,-40.54,;35.75,-39.77,;35.74,-38.23,;36.51,-36.91,;34.97,-36.91,;34.42,-40.55,;32.88,-40.55,;33.65,-41.88,;35.76,-42.85,;35.76,-44.39,;34.42,-45.16,;37.09,-45.16,;38.42,-44.39,;39.9,-44.87,;40.69,-46.19,;39.94,-47.53,;40.73,-48.85,;42.27,-48.83,;43.06,-50.15,;42.32,-51.49,;43.11,-52.81,;40.78,-51.52,;43.02,-47.47,;42.22,-46.16,;42.97,-44.81,)|
CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1C |(28.23,-5.21,;26.9,-5.98,;26.9,-7.52,;28.23,-8.29,;29.57,-7.52,;25.56,-8.29,;25.56,-9.83,;24.24,-10.61,;24.24,-12.15,;22.9,-12.92,;25.56,-12.91,;26.89,-12.15,;28.36,-12.63,;29.27,-11.38,;30.81,-11.38,;28.36,-10.13,;26.89,-10.61,;28.84,-14.09,;27.8,-15.23,;28.28,-16.69,;29.78,-17.01,;30.26,-18.48,;30.82,-15.86,;30.34,-14.4,;31.36,-13.25,)|
CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(C)cc1Cl |(40.46,-5.09,;39.13,-5.86,;39.13,-7.4,;40.46,-8.17,;41.79,-7.4,;37.79,-8.17,;37.79,-9.71,;36.46,-10.48,;36.46,-12.02,;35.13,-12.8,;37.79,-12.79,;39.12,-12.03,;40.59,-12.5,;41.49,-11.26,;43.03,-11.26,;40.59,-10.01,;39.12,-10.48,;41.06,-13.97,;40.03,-15.1,;40.5,-16.57,;42.01,-16.89,;42.49,-18.35,;43.04,-15.73,;42.56,-14.28,;43.59,-13.12,)|
CCCCN(CC)c1cc(C)nc2c(c(CCCC)nn12)-c1ccc(Cl)cc1Cl |(7.21,-2.04,;7.21,-3.58,;8.54,-4.35,;8.54,-5.89,;9.88,-6.66,;11.21,-5.89,;11.21,-4.35,;9.88,-8.2,;8.55,-8.98,;8.55,-10.52,;7.22,-11.29,;9.88,-11.28,;11.21,-10.52,;12.67,-10.99,;13.58,-9.75,;15.12,-9.75,;15.89,-11.08,;17.43,-11.08,;18.2,-12.41,;12.67,-8.5,;11.21,-8.98,;13.15,-12.46,;12.11,-13.59,;12.59,-15.06,;14.1,-15.38,;14.57,-16.84,;15.13,-14.23,;14.65,-12.77,;15.67,-11.62,)|
CCN(CC(=O)NC)c1ccc(Br)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCC(CC)Nc1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCC(=O)N(C(C)C)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCN(CCO)c1ccc(Br)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCN(CC(C)O)c1ccc(Br)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCN(CC(N)=O)c1ccc(Br)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCCC(CCC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCC(CC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(Cl)cc3Cl)n(C)c12
CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(cc3Cl)C#N)n(C)c12
CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(cc3Cl)C(N)=O)n(C)c12
CCC(CC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3Cl)n(C)c12
CCN(CCC(F)(F)F)c1ccc(Br)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCCCN(CC)c1nc(C)nc2n(c(CO)c(C)c12)-c1c(C)cc(C)cc1C |(51.18,-11.74,;52.51,-10.97,;53.85,-11.74,;55.18,-10.97,;56.51,-11.74,;57.85,-10.97,;57.85,-9.43,;56.51,-13.28,;55.18,-14.06,;55.18,-15.6,;53.85,-16.37,;56.51,-16.36,;57.85,-15.6,;59.31,-16.06,;60.21,-14.82,;61.75,-14.81,;62.51,-13.47,;59.3,-13.58,;59.77,-12.11,;57.84,-14.06,;59.79,-17.52,;61.3,-17.83,;62.32,-16.68,;61.78,-19.29,;60.76,-20.45,;61.24,-21.91,;59.25,-20.13,;58.77,-18.67,;57.26,-18.36,)|
CCCCN(CC)c1nc(C)nc2n(c(C=O)c(C)c12)-c1c(C)cc(C)cc1C |(-9.11,-24.17,;-7.77,-23.4,;-6.44,-24.17,;-5.11,-23.4,;-3.77,-24.17,;-2.44,-23.4,;-2.44,-21.86,;-3.77,-25.71,;-5.1,-26.48,;-5.1,-28.02,;-6.43,-28.8,;-3.77,-28.79,;-2.44,-28.02,;-.97,-28.48,;-.08,-27.24,;1.46,-27.23,;2.22,-25.89,;-.99,-26,;-.52,-24.53,;-2.44,-26.48,;-.49,-29.94,;1.01,-30.25,;2.03,-29.1,;1.5,-31.71,;.47,-32.87,;.96,-34.33,;-1.04,-32.55,;-1.52,-31.09,;-3.03,-30.78,)|
CCCCN(CC)c1nc(C)nc2n(c(COC)c(C)c12)-c1c(C)cc(C)cc1C |(10.4,-24.1,;11.73,-23.33,;13.07,-24.1,;14.4,-23.33,;15.73,-24.1,;17.07,-23.33,;17.07,-21.79,;15.73,-25.64,;14.4,-26.41,;14.4,-27.95,;13.07,-28.73,;15.73,-28.72,;17.07,-27.95,;18.53,-28.41,;19.43,-27.17,;20.97,-27.16,;21.73,-25.82,;23.27,-25.81,;18.52,-25.93,;18.99,-24.46,;17.06,-26.41,;19.01,-29.87,;20.52,-30.18,;21.54,-29.03,;21.01,-31.64,;19.98,-32.8,;20.47,-34.26,;18.47,-32.48,;17.99,-31.02,;16.48,-30.71,)|
CCN(CC(=O)N(C)C)c1ccc(Br)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1ccc(OC)cc1C
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12
CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1ccc(C)cc1C
CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cc(C)c(C)cc1C
CCOc1ccc(c(CC)c1)-c1nn2c(C)cc(C(CC)CC)c2cc1C
CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cc2OCOc2cc1C
CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cc(OC)c(OC)cc1CC
CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cnc(cc1C)N(C)C
CCC(CC)c1nc(C)c2nc(c(C)cn12)-c1ccc(OC)cc1C
CCC(CC)c1nc(C)n2nc(c(C)cc12)-c1ccc(OC)cc1C
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)nc3C)n(C)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(OC(F)F)nc3C)n(C)c(=O)c12
CCC(C)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12
COc1ccc(c(Cl)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C
CCC(C)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(nc3C)N(C)C)n(C)c(=O)c12
CC(C)c1cc(C)n2nc(-c3ccc(nc3C)N(C)C)n(C)c(=O)c12
CCC(C)c1cc(C)n2nc(-c3ccc(nc3C)N(C)C)n(C)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 |(8.13,-31.11,;8.6,-32.58,;7.57,-33.72,;6.06,-33.4,;5.59,-31.93,;8.04,-35.19,;7.14,-36.43,;8.04,-37.68,;7.56,-39.14,;9.5,-37.2,;10.84,-37.98,;12.18,-37.2,;13.5,-37.97,;13.5,-39.51,;12.17,-40.28,;14.83,-40.27,;16.16,-39.51,;17.5,-40.27,;17.5,-41.81,;16.15,-37.96,;14.83,-37.2,;14.82,-35.66,;12.17,-35.65,;13.5,-34.88,;10.83,-34.89,;10.83,-33.35,;9.51,-35.66,)|
COc1cc(C)c(c(C)c1)-c1nn2c(C)cc(C(C)C)c2c(=O)n1C |(30.32,-42.59,;30.32,-41.05,;28.99,-40.28,;27.66,-41.05,;26.33,-40.28,;24.99,-41.05,;26.33,-38.75,;27.65,-37.98,;27.65,-36.44,;28.98,-38.74,;25,-37.98,;23.66,-38.75,;22.33,-37.98,;20.86,-38.45,;20.38,-39.92,;19.96,-37.21,;20.86,-35.96,;20.39,-34.5,;21.42,-33.35,;18.88,-34.17,;22.33,-36.44,;23.66,-35.66,;23.65,-34.12,;24.99,-36.43,;26.33,-35.65,)|
CCC(C)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 |(34,-31.12,;34.48,-32.59,;33.44,-33.73,;31.94,-33.41,;33.92,-35.2,;33.01,-36.44,;33.91,-37.69,;33.44,-39.16,;35.38,-37.22,;36.71,-37.99,;38.05,-37.22,;39.38,-37.98,;39.38,-39.52,;38.04,-40.29,;40.71,-40.29,;42.04,-39.52,;43.37,-40.29,;43.38,-41.83,;42.03,-37.98,;40.7,-37.22,;40.7,-35.68,;38.05,-35.66,;39.38,-34.89,;36.71,-34.9,;36.7,-33.36,;35.38,-35.68,)|
CCC(CC)c1cc(C)n2nc(-c3cnc(OC(F)F)cc3C)n(C)c(=O)c12
CCC(CC)c1cc(C)n2nc([nH]c(=O)c12)-c1ccc(OC)cc1C
CCC(CC)c1cc(C)n2nc([nH]c(=O)c12)-c1ccc(OC)cc1Cl
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CC)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CCO)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CCO)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C(C)C)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C3CC3)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C3CC3)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC(C)C)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC3CC3)c(=O)c12
CCC(CC)c1cc(C)n2nc(-c3cnc(OC)cc3C)n(C)c(=O)c12
CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(C)cc(nc12)-c1ccccc1
CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(C)cc(=O)[nH]c12
CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(C)cc(Cl)nc12
CCN(c1cc(C)nc(C)n1)c1ccc(cc1Br)C(C)C
CC(C)c1ccc(c(Br)c1)-n1ccc2c(C)cc(Cl)nc12
COc1cc(Br)c(c(OC)c1)-n1cc(C#N)c2c(C)cc(C)nc12 |(12.47,-15.06,;10.97,-14.75,;10.48,-13.3,;11.5,-12.14,;11.01,-10.69,;12.02,-9.53,;9.5,-10.37,;8.48,-11.53,;6.98,-11.21,;5.96,-12.35,;8.97,-12.98,;9.03,-8.92,;9.92,-7.66,;9.01,-6.42,;9.48,-4.95,;9.95,-3.48,;7.54,-6.91,;6.21,-6.14,;6.21,-4.6,;4.88,-6.91,;4.88,-8.45,;3.55,-9.22,;6.21,-9.22,;7.56,-8.45,)|
CC(C)c1ccc(c(Br)c1)-n1ccc2c(C)cc(nc12)-c1ccccc1
CC(C)c1ccc(c(Br)c1)-n1cc(C(O)=O)c2c(C)cc(C)nc12
CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(cc(C)nc12)N1CCOCC1
CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2ccc(C)nc12
CC(C)c1ccc(c(Br)c1)-n1ccc2c(C)ccnc12
CC(C)c1ccc(c(Br)c1)-n1ccc2c(Cl)cc(C)nc12
CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(cc(C)nc12)-c1ccccc1
CC(C)c1ccc(c(Br)c1)-n1ccc2c(cc(C)nc12)-c1ccccc1
CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(C)cc(C)nc12
CC(C)c1ccc(c(Br)c1)-n1ccc2c(cc(C)nc12)N1CCOCC1
CC(C)c1ccc(c(Br)c1)-n1ccc2c(C)cc(C)nc12
CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2ccc(C)[n+]([O-])c12
CC(C)c1ccc(N(C)c2nc(C)cc(C)n2)c(I)c1
CC(C)c1ccc(cc1)-n1ccc2c(C)cc(C)nc12
CC(C)c1ccc(Nc2nc(C)cc(C)n2)c(Br)c1
CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(C)ccnc12
COc1cc(Br)c(c(OC)c1)-n1ccc2c(C)cc(C)nc12 |(12.47,-15.06,;10.97,-14.75,;10.48,-13.3,;11.5,-12.14,;11.01,-10.69,;12.02,-9.53,;9.5,-10.37,;8.48,-11.53,;6.98,-11.21,;5.96,-12.35,;8.97,-12.98,;9.03,-8.92,;9.92,-7.66,;9.01,-6.42,;7.54,-6.91,;6.21,-6.14,;6.21,-4.6,;4.88,-6.91,;4.88,-8.45,;3.55,-9.22,;6.21,-9.22,;7.56,-8.45,)|
CC(C)c1ccc(c(Br)c1)-n1cc(C#N)c2c(Cl)cc(C)nc12
CC(C)c1ccc(c(Br)c1)-n1ccc2ccc(C)nc12
CC(C)c1ccc(c(Br)c1)-n1cc(C(N)=O)c2c(C)cc(C)nc12
CCOCC(COCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.15,7.54,;6.77,6.06,;7.87,4.97,;7.49,3.49,;8.6,2.41,;10.07,2.82,;10.46,4.3,;11.93,4.72,;12.32,6.21,;8.19,.9,;7.73,-.56,;6.22,-.9,;5.77,-2.35,;4.27,-2.69,;6.8,-3.48,;8.29,-3.15,;9.54,-4.05,;10.78,-3.14,;12.25,-3.63,;10.3,-1.68,;8.76,-1.7,;9.56,-5.58,;8.22,-6.36,;8.22,-7.9,;9.56,-8.67,;9.54,-10.21,;10.89,-7.9,;10.89,-6.35,;12.22,-5.58,)|
CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(2.03,6.37,;1.57,4.9,;2.61,3.75,;4.12,4.1,;4.59,5.55,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
CCCCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(17.92,-3.84,;16.84,-2.77,;15.35,-3.15,;14.26,-2.06,;12.77,-2.48,;11.69,-1.38,;10.2,-1.78,;12.39,-3.97,;11.9,-5.44,;10.4,-5.77,;9.94,-7.24,;8.43,-7.57,;10.98,-8.37,;12.48,-8.04,;13.74,-8.94,;14.97,-8.04,;16.44,-8.5,;14.49,-6.56,;12.94,-6.57,;13.74,-10.47,;12.42,-11.26,;12.42,-12.81,;13.74,-13.58,;13.74,-15.12,;15.09,-12.81,;15.09,-11.26,;16.41,-10.47,)|
CN(c1ccccc1)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(1.23,2.46,;2.28,1.3,;3.79,1.64,;4.25,3.1,;5.74,3.43,;6.78,2.3,;6.32,.82,;4.81,.5,;1.81,-.16,;.3,-.49,;-.15,-1.96,;-1.66,-2.29,;.88,-3.08,;2.37,-2.76,;3.63,-3.66,;4.86,-2.74,;6.33,-3.22,;4.37,-1.28,;2.83,-1.29,;3.64,-5.18,;2.31,-5.97,;2.31,-7.51,;3.64,-8.28,;3.63,-9.82,;4.97,-7.51,;4.97,-5.95,;6.3,-5.18,)|
CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(10.17,.44,;8.83,1.19,;7.5,.42,;6.27,1.35,;4.86,.77,;7.11,-1.07,;6.63,-2.54,;5.13,-2.87,;4.67,-4.34,;3.15,-4.68,;5.71,-5.47,;7.21,-5.15,;8.46,-6.05,;9.7,-5.15,;11.17,-5.61,;9.21,-3.67,;7.67,-3.68,;8.46,-7.59,;7.14,-8.37,;7.14,-9.91,;8.46,-10.68,;8.46,-12.23,;9.81,-9.91,;9.81,-8.37,;11.13,-7.57,)|
CCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.35,1.18,;6.96,-.3,;5.47,-.72,;4.4,.37,;4.78,1.85,;3.67,2.94,;5.1,-2.22,;4.62,-3.67,;3.12,-4.02,;2.66,-5.47,;1.16,-5.82,;3.7,-6.59,;5.2,-6.27,;6.43,-7.17,;7.68,-6.27,;9.14,-6.75,;7.2,-4.79,;5.66,-4.82,;6.43,-8.71,;5.13,-9.48,;5.13,-11.02,;6.43,-11.79,;6.43,-13.33,;7.8,-11.02,;7.8,-9.48,;9.11,-8.71,)|
CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(12.07,5.86,;11.59,4.39,;10.11,4.06,;9.63,2.6,;8.13,2.27,;7.1,3.4,;7.55,4.88,;7.64,.8,;6.17,.47,;5.69,-.99,;4.18,-1.33,;6.75,-2.12,;8.22,-1.8,;9.47,-2.69,;10.72,-1.8,;12.17,-2.26,;10.24,-.32,;8.7,-.33,;9.47,-4.23,;8.16,-5,;8.16,-6.54,;9.47,-7.31,;9.47,-8.85,;10.82,-6.54,;10.82,-5,;12.14,-4.21,)|
CCCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(15.31,1.18,;13.83,.79,;12.75,1.88,;11.26,1.46,;10.18,2.56,;8.69,2.14,;10.88,-.04,;10.39,-1.49,;8.9,-1.84,;8.44,-3.28,;6.93,-3.64,;9.48,-4.41,;10.97,-4.09,;12.22,-4.98,;13.45,-4.09,;14.92,-4.57,;12.97,-2.61,;11.43,-2.64,;12.22,-6.52,;10.91,-7.29,;10.91,-8.83,;12.22,-9.6,;12.22,-11.14,;13.57,-8.83,;13.57,-7.29,;14.89,-6.52,)|
CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;2.03,6.37,;3.54,6.69,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.56,7.35,;6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;2.03,6.37,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.68,2.14,;6.65,3.27,;5.14,2.94,;4.12,4.1,;2.61,3.75,;1.57,4.9,;.08,4.58,;-.96,5.7,;-2.47,5.38,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;.08,4.58,;-1.4,5.04,;-1.08,3.53,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
CCCC(CCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(18.94,.92,;17.43,.53,;16.37,1.63,;14.86,1.21,;13.8,2.3,;12.3,1.88,;11.21,2.97,;14.48,-.3,;14,-1.74,;12.52,-2.1,;12.04,-3.54,;10.53,-3.89,;13.1,-4.66,;14.57,-4.34,;15.83,-5.24,;17.08,-4.34,;18.52,-4.82,;16.6,-2.87,;15.06,-2.9,;15.83,-6.78,;14.51,-7.55,;14.51,-9.09,;15.83,-9.86,;15.83,-11.4,;17.17,-9.09,;17.17,-7.55,;18.49,-6.78,)|
COCC(COC)n1nnc2c(Nc3c(C)cc(C)cc3Cl)nc(C)cc12
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](N)Cc2ccccc2)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N1)[C@@H](C)CC)C(N)=O
CCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)c(OC)c1
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(N)=O
CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-4.14,5.56,;-4.16,4.02,;-5.51,3.27,;-5.53,1.73,;-6.87,.97,;-8.19,1.76,;-8.17,3.3,;-6.89,-.57,;-8.23,-1.32,;-8.24,-2.86,;-9.59,-3.61,;-6.93,-3.63,;-5.6,-2.88,;-4.14,-3.38,;-3.22,-2.15,;-4.11,-.89,;-3.61,.57,;-5.58,-1.35,;-4.13,-4.92,;-2.79,-5.69,;-1.46,-4.91,;-2.79,-7.24,;-4.12,-8.01,;-4.12,-9.55,;-5.46,-7.24,;-5.45,-5.69,;-6.79,-4.92,)|
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)NC(CC(O)=O)C(=O)C(CC(O)=O)NC(=O)C(N)CC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O
CCC(CC)n1nnc2c(nc(C)cc12)N1CCc2cc(Cl)cc(Cl)c12
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)O)C(C)C)[C@@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]([C@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]([C@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]([C@H](C)CC)C(N)=O
CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]([C@H](C)CC)C(N)=O
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(2.5,2.36,;1.17,3.13,;-.17,2.36,;-1.5,3.12,;-2.85,2.35,;-4.18,3.11,;-5.51,2.34,;-6.84,3.11,;-8.17,2.34,;-2.83,.81,;-4.16,.04,;-4.16,-1.51,;-5.51,-2.28,;-2.83,-2.28,;-1.49,-1.5,;-.03,-1.98,;.88,-.73,;2.42,-.73,;-.03,.52,;-1.49,.04,;.44,-3.44,;-.59,-4.58,;-.12,-6.04,;1.39,-6.36,;1.87,-7.83,;2.43,-5.21,;1.94,-3.75,;2.96,-2.61,)|
CCCC(CCC)N1CCc2cn(-c3ccccc3OC)c3nc(C)cc1c23
CCCCN1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
CCCC(CCC)N1CCc2cn(-c3ccc(OC)cc3C)c3nc(C)cc1c23
CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
CCCC(CCC)N1CCc2cn(-c3ccc(OC)nc3OC)c3nc(C)cc1c23
CCC(CC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
CCCC(CCC)N1CCc2nn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
CCCC(CCC)N1CCc2cn(-c3cccc(OC)c3)c3nc(C)cc1c23
CCCC(CCC)N1CCc2cn(Cc3ccc(Cl)cc3C)c3nc(C)cc1c23
CCC(COC)N1CCc2cn(-c3c(C)cc(Cl)cc3C)c3nc(C)cc1c23 |(-5.96,4.44,;-4.63,3.66,;-4.63,2.12,;-5.96,1.37,;-7.29,2.14,;-8.62,1.37,;-3.28,1.34,;-1.95,2.11,;-.62,1.34,;-.62,-.21,;.54,-1.24,;-.49,-2.99,;.05,-4.44,;1.56,-4.68,;2.53,-3.5,;2.11,-6.11,;1.13,-7.32,;1.66,-8.75,;-.39,-7.07,;-.93,-5.62,;-2.45,-5.37,;-1.95,-2.53,;-3.28,-3.29,;-4.61,-2.53,;-5.96,-3.31,;-4.61,-.98,;-3.28,-.21,;-1.95,-.98,)|
CCCC(CCC)N1CCc2cn(-c3ccc(cc3Cl)C#N)c3nc(C)cc1c23
CCCC(CCC)N1CCc2cn(-c3ccc(C)cc3Cl)c3nc(C)cc1c23
CCCC(CCC)N1CCc2cn(CCCOC(C)C)c3nc(C)cc1c23
CCCC(CCC)N1CCc2cn(-c3ccc(cc3Cl)S(C)(=O)=O)c3nc(C)cc1c23
CCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
CCC(CC)N1CCc2cn(-c3ccc(OC(F)(F)F)cc3C)c3nc(C)cc1c23
COCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
CCCC(CCC)N1CCc2cn(-c3ccc(C)cc3)c3nc(C)cc1c23
CCC(N(CC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
CCCN(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
CCCCC(N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1
CCCN(C(C)CC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
CCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
CCCC(N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1)c1ccccc1
CCCCC(CC)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
CCCC(N(CCC)c1nc(-c2cc(OC)c(OC)cc2Cl)n(C)n1)c1ccccc1
CCCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1
CCCC(N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1
CCCN(C(CC)c1ccccc1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
CCCCC(CC)N(CC1CC1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
CCCN(C(C(C)C)C(C)C)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
CCCCC(CC)N(OCCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
CCCN(C(CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(OC)cc2C)n(C)n1
CCCN(CC1CC1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
CCCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
CCCN(C(CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
CCCCC(N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1)c1ccc(F)cc1
CCC(CC)Oc1c(C)nc(nc1OC)-c1c(OC)cc(cc1OC)C(F)F
CCC(CC)Oc1c(C)nc(nc1OC)-c1c(C)cc(C)cc1OC
COc1cc(C)cc(C)c1-c1nc(C)c(NCC(C)(C)C)c(OC)n1
CCC(CC)Nc1c(C)nc(nc1OC)-c1c(C)cc(C)cc1OC
CCCNc1c(C)nc(nc1OC)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(C)nc(nc1OC)-c1c(OC)cc(Cl)cc1OC
CCCN(CCC)c1c(C)nc(nc1OC)-c1c(OC)cc(cc1C(F)(F)F)C(F)(F)F
CCCN(CCC)c1c(C)nc(nc1OC)-c1c(C)cc(C)cc1C
CCCN(CCC)c1c(C)nc(nc1OC)-c1c(OC)cccc1OC
CCCN(CCC)c1c(C)nc(nc1OC)-c1ccc(OC)cc1OC
CCCN(CCC)c1c(C)nc(nc1OC)-c1ccc(Cl)cc1Cl
CCCN(CCC)c1c(CC(C)(C)O)nc(nc1OC)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(CC(C)O)nc(nc1OC)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(CCC)nc(nc1OC)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(CC)nc(nc1OC)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(C)nc(nc1OCCO)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(C)nc(nc1OC(C)C)-c1c(C)cc(C)cc1OC
CCCOc1nc(nc(C)c1N(CCC)CCC)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(C)nc(nc1OCC)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(C)nc(nc1Cl)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1c(C)nc(nc1OC)-c1c(C)cc(C)cc1OC
CCCN(CCC)c1cnc(nc1C)-c1c(C)cc(C)cc1OC
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)c1=O |r|
CC[C@H](COC)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O |r|
COC[C@@H](C)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O |r|
CC[C@H](COC)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O |r|
COC[C@@H](C)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O |r|
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O |r|
CCCC(CCC)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O |r|
COCC(COC)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2Cl)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(cc2Cl)C#N)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)c1=O |r|
C[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O |r|
C[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)S(C)(=O)=O)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(Cl)cc2C#N)c1=O |r|
COc1cc(Cl)c(C)cc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(C)cc2C)c1=O |r|
CCOc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C |r|
COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1OC |r|
COc1cc(Cl)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1F |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(C)cc2Cl)c1=O |r|
C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc3COCc3cc2Cl)c1=O |r|
C[C@H](C1CC1)n1cc(C)nc(Nc2c(C)cc(Cl)cc2C)c1=O |r|
C[C@H](C1CC1)n1cc(nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O)C#N |r|
C[C@H](C1CC1)n1cc(nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O)C#N |r|
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)nc12
CCCC(CCC)Nc1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)nc12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(=O)[nH]c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(=O)n(C)c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)cc12
CCN(CC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
CCCN(CCC)c1cccc2nc(N(C)c3c(C)cc(C)cc3C)c(=O)n(C)c12
Cc1cc(C)c(Nc2nc3cccc(N(CC4CC4)CC4CC4)c3cc2C)c(C)c1
Cc1cc(C)c(Nc2nc3cccc(N(CC4CC4)CC4CCOCC4)c3cc2C)c(C)c1
Cc1cc(C)c(Nc2nc3cccc(N(CC4CC4)C4CCOCC4)c3cc2C)c(C)c1
CCCN(CCC)c1cccc2nc(Nc3c(OC)cc(COC)cc3OC)c(C)cc12
CCCN(CCC)c1cccc2nc(Nc3c(OC)cc(OC)cc3OC)c(C)cc12
CCCN(CCC)c1cccc2nc(Oc3c(C)cc(C)cc3C)c(C)cc12
CCCN(CCC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
COCc1cc(OC)c(Oc2nc3cccc(N(CC4CC4)CC4CCOCC4)c3cc2C)c(OC)c1
CCN(CC1CCOCC1)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
COCc1cc(OC)c(Oc2nc3cccc(N(CC4CC4)C4CCOCC4)c3cc2C)c(OC)c1
CCN(C1CCOCC1)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
CCC(CC)Nc1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
COCc1cc(OC)c(Oc2nc3cccc(NC4CCCCC4)c3cc2C)c(OC)c1
CCN(Cc1ccncc1)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
CCC(C1CC1)n1c2nccc(-c3cc(C)c(OC(C)C)cc3Cl)c2nc(C)c1=O
COCC(C1CC1)n1c2ncnc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O
CCC(C1CC1)n1c2nccc(-c3cc(F)c(cc3Cl)N(C)C)c2nc(C)c1=O
CCC(C1CC1)n1c2nccc(-c3cc(C#N)c(C)cc3Cl)c2nc(C)c1=O
CCC(C1CC1)n1c2nccc(-c3cc(C)c(Cl)cc3OC)c2nc(C)c1=O
CCC(C1CC1)n1c2nccc(-c3cc(Cl)c(OC)cc3OC)c2nc(C)c1=O
CC[C@H](C1CC1)n1c2nccc(-c3ccc(OC)cc3C)c2nc(C)c1=O |r|
CC[C@H](C1CC1)n1c2nccc(-c3ccc(OC)nc3C)c2nc(C)c1=O |r|
CC[C@H](C1CC1)n1c2nccc(-c3cc(C)c(OC)cc3C)c2nc(C)c1=O |r|
CC[C@H](C1CC1)n1c2nccc(-c3cc(C)c(OC)nc3C)c2nc(C)c1=O |r|
CC[C@@H](C1CC1)n1c2ncnc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r|
CC[C@H](COC)n1c2ncnc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r|
CCC(C1CC1)n1c2ncnc(-c3cc(Cl)c(OC(F)F)cc3C)c2nc(C)c1=O
COc1ccc(c(C)c1)-c1ncnc2n(C(C3CC3)C3CC3)c(=O)c(C)nc12
CCC(COC)n1c2ncnc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O
CC[C@@H](C1CC1)n1c2ccnc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r|
CC[C@H](COC)n1c2ccnc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r|
COc1ccc(c(C)c1)-c1ccnc2n(C(C3CC3)C3CC3)c(=O)c(C)nc12
CCC(COC)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O
COCC(C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O
CC(C)Cn1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O
CC(C)C(C)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O
CCCC(C)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O
CC[C@H](C1CC1)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r|
CC[C@@H](C1CC1)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r|
CCCC(C1CC1)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O
COCC(C)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O
CC[C@H](COC)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r|
CC[C@@H](COC)n1c2nccc(-c3ccc(Cl)cc3Cl)c2nc(C)c1=O |r|
CCC(C1CC1)n1c2nccc(-c3ccc(C)cc3C)c2nc(C)c1=O
CCC(C1CC1)n1c2nccc(-c3cc(C)c(C)cc3C)c2nc(C)c1=O
CCC(C1CC1)n1c2nccc(-c3cc(C)c(C)c(C)c3C)c2nc(C)c1=O
CC[C@@H](C1CC1)n1c2nccc(-c3ccc(cc3Cl)C(F)(F)F)c2nc(C)c1=O |r|
CC[C@@H](C1CC1)n1c2nccc(-c3ccc(OC(F)F)cc3Cl)c2nc(C)c1=O |r|
CC[C@@H](C1CC1)n1c2nccc(-c3ccc(OC)cc3Cl)c2nc(C)c1=O |r|
CC[C@H](C1CC1)n1c2nccc(-c3ccc(OC)cc3Cl)c2nc(C)c1=O |r|
CCC(C1CC1)n1c2nccc(-c3cc(C)c(OC)cc3Cl)c2nc(C)c1=O
CCOc1cc(Cl)c(cc1C)-c1ccnc2n(C(CC)C3CC3)c(=O)c(C)nc12
CC[C@H](C1CC1)n1c2nccc(-c3cc(Cl)c(OC)cc3C)c2nc(C)c1=O |r|
CCC(C1CC1)n1c2nccc(-c3cc(Cl)c(OC(F)F)cc3C)c2nc(C)c1=O
CC[C@H](C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O |r|
CC[C@H](C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3C)c2nc(C)c1=O |r|
CCC(C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3F)c2nc(C)c1=O
CCCN(CCC)c1ccc(C)c2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
CCCN(CCC)c1cccc2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(27.38,8.73,;27.39,7.17,;26.06,6.4,;26.07,4.86,;27.4,4.09,;28.73,4.87,;30.07,4.1,;24.73,4.08,;23.4,4.85,;22.07,4.08,;22.07,2.53,;23.4,1.76,;23.4,.22,;24.73,-.55,;26.07,.23,;27.41,-.54,;26.07,1.76,;24.74,2.53,;24.74,-2.09,;23.4,-2.85,;22.07,-2.08,;20.73,-2.85,;23.4,-4.39,;24.73,-5.16,;24.73,-6.7,;23.4,-7.48,;22.07,-6.71,;26.07,-4.39,;26.07,-2.85,;27.4,-2.08,;28.73,-2.84,)|
CCCN(CCC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(41.21,8.74,;41.21,7.19,;39.88,6.41,;39.89,4.87,;41.22,4.11,;42.55,4.88,;43.89,4.12,;38.56,4.1,;37.22,4.86,;35.89,4.09,;35.89,2.55,;34.56,1.78,;37.22,1.78,;37.22,.24,;38.55,-.53,;39.89,.24,;41.23,-.52,;39.89,1.78,;38.56,2.55,;38.56,-2.07,;37.22,-2.84,;35.89,-2.07,;34.55,-2.84,;37.22,-4.38,;38.55,-5.15,;38.56,-6.69,;37.22,-7.46,;35.89,-6.69,;39.89,-4.37,;39.89,-2.83,;41.22,-2.06,;42.55,-2.83,)|
CCCN(CCC)c1ccc(CC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(56.46,9.32,;56.46,7.78,;55.13,6.99,;55.14,5.45,;56.48,4.68,;57.81,5.46,;59.14,4.69,;53.81,4.67,;52.47,5.44,;51.14,4.67,;51.14,3.12,;49.81,2.35,;48.47,3.12,;52.47,2.36,;52.47,.82,;53.81,.04,;55.15,.82,;56.48,.05,;55.14,2.36,;53.81,3.12,;53.81,-1.49,;52.47,-2.26,;51.14,-1.49,;49.81,-2.26,;52.47,-3.8,;53.81,-4.57,;53.81,-6.11,;52.48,-6.88,;51.14,-6.12,;55.14,-3.79,;55.14,-2.26,;56.47,-1.49,;57.81,-2.25,)|
COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(C)C)c2cc1C |(-6.68,-25.51,;-5.34,-26.28,;-4.01,-25.51,;-4.01,-23.97,;-5.35,-23.2,;-5.35,-21.66,;-6.68,-20.89,;-8.01,-21.66,;-4.01,-20.89,;-2.68,-21.66,;-1.35,-20.88,;-.01,-21.65,;-2.68,-23.19,;-4.01,-19.36,;-5.35,-18.58,;-5.35,-17.04,;-6.68,-16.28,;-8.01,-17.05,;-6.68,-14.73,;-5.35,-13.96,;-4.01,-14.72,;-2.68,-13.95,;-1.34,-14.71,;-2.69,-12.41,;-4.01,-16.27,;-2.68,-17.04,;-2.67,-18.58,;-1.34,-19.35,)|
CCN(CC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(9.62,-11.23,;10.96,-12,;10.96,-13.54,;12.3,-14.3,;12.3,-15.84,;9.63,-14.31,;8.3,-13.55,;6.97,-14.32,;6.96,-15.86,;5.63,-16.63,;8.3,-16.63,;8.29,-18.17,;9.63,-18.94,;10.97,-18.17,;12.3,-18.93,;10.97,-16.63,;9.64,-15.86,;9.63,-20.48,;8.29,-21.25,;6.96,-20.48,;5.63,-21.25,;8.29,-22.79,;9.63,-23.56,;9.63,-25.1,;8.3,-25.87,;6.96,-25.1,;10.97,-22.78,;10.96,-21.24,;12.29,-20.47,;13.63,-21.24,)|
COCCN(C)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(38.36,-17.8,;38.35,-16.26,;37.01,-15.49,;37.01,-13.95,;35.67,-13.19,;35.67,-11.65,;34.34,-13.96,;33.01,-13.2,;31.68,-13.97,;31.67,-15.51,;30.34,-16.28,;33.01,-16.28,;33,-17.82,;34.34,-18.59,;35.68,-17.82,;37.01,-18.58,;35.68,-16.28,;34.35,-15.51,;34.34,-20.13,;33,-20.9,;31.67,-20.13,;30.34,-20.9,;33,-22.44,;34.34,-23.21,;34.34,-24.75,;33.01,-25.52,;31.67,-24.75,;35.68,-22.43,;35.67,-20.89,;37,-20.12,;38.34,-20.89,)|
CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)|
COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(CC3CC3)CC3CCOCC3)c2cc1C |(58.2,-23.88,;59.53,-24.65,;60.86,-23.88,;60.86,-22.34,;59.53,-21.57,;59.53,-20.03,;58.19,-19.26,;56.86,-20.02,;60.86,-19.26,;62.19,-20.02,;63.52,-19.25,;64.86,-20.02,;62.2,-21.56,;60.86,-17.72,;59.53,-16.95,;59.53,-15.41,;58.2,-14.64,;56.86,-15.41,;58.2,-13.1,;59.53,-12.33,;60.86,-13.09,;62.19,-12.32,;62.19,-10.78,;60.85,-10.01,;60.08,-8.69,;59.31,-10.02,;63.53,-13.08,;64.86,-12.31,;66.19,-13.08,;67.52,-12.31,;67.52,-10.77,;66.19,-10,;64.85,-10.77,;60.87,-14.64,;62.2,-15.41,;62.2,-16.95,;63.54,-17.71,)|
COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(CC3CC3)C3CCOCC3)c2cc1C |(-6.48,-43.43,;-5.14,-44.19,;-3.81,-43.42,;-3.81,-41.88,;-5.15,-41.11,;-5.15,-39.57,;-6.48,-38.8,;-7.81,-39.57,;-3.81,-38.8,;-2.48,-39.57,;-1.15,-38.8,;.19,-39.56,;-2.47,-41.1,;-3.81,-37.27,;-5.15,-36.49,;-5.14,-34.95,;-6.48,-34.19,;-7.81,-34.96,;-6.47,-32.64,;-5.14,-31.87,;-3.81,-32.64,;-2.48,-31.86,;-2.48,-30.32,;-1.15,-29.55,;.38,-29.53,;-.39,-28.2,;-1.14,-32.63,;-1.13,-34.16,;.2,-34.93,;1.53,-34.16,;1.53,-32.62,;.19,-31.84,;-3.8,-34.19,;-2.47,-34.95,;-2.47,-36.49,;-1.14,-37.26,)|
CCC(CC)Nc1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(13.54,-33.34,;12.2,-32.58,;12.2,-31.04,;13.53,-30.26,;14.86,-31.03,;10.86,-30.27,;9.53,-31.05,;8.19,-30.29,;6.87,-31.06,;6.86,-32.6,;5.53,-33.37,;8.2,-33.37,;8.19,-34.91,;9.53,-35.68,;10.87,-34.9,;12.2,-35.67,;10.86,-33.37,;9.53,-32.6,;9.53,-37.22,;8.19,-37.99,;6.86,-37.21,;5.53,-37.98,;8.19,-39.52,;9.53,-40.3,;9.53,-41.84,;8.2,-42.61,;6.86,-41.84,;10.87,-39.52,;10.86,-37.98,;12.19,-37.21,;13.53,-37.98,)|
COCCNc1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(29.43,-30.55,;28.1,-31.33,;26.77,-30.56,;25.43,-31.34,;24.1,-30.57,;22.77,-31.35,;21.43,-30.58,;20.1,-31.35,;20.1,-32.9,;18.77,-33.67,;21.43,-33.66,;21.43,-35.2,;22.77,-35.98,;24.11,-35.2,;25.44,-35.97,;24.1,-33.66,;22.77,-32.9,;22.77,-37.51,;21.43,-38.28,;20.1,-37.51,;18.76,-38.28,;21.43,-39.82,;22.77,-40.59,;22.77,-42.13,;21.43,-42.9,;20.1,-42.13,;24.1,-39.81,;24.1,-38.28,;25.43,-37.5,;26.76,-38.27,)|
CCN(CC)c1ccc(C)c2nc(ccc12)-c1c(OC)cc(COC)cc1OC
CCN(CC)c1ccc(C)c2nc(c(F)cc12)-c1c(OC)cc(COC)cc1OC |(48.85,-28.49,;50.19,-29.26,;50.19,-30.8,;51.53,-31.56,;51.53,-33.1,;48.86,-31.57,;47.53,-30.81,;46.2,-31.58,;46.2,-33.12,;44.86,-33.89,;47.53,-33.89,;47.52,-35.43,;48.86,-36.2,;50.2,-35.43,;51.54,-36.19,;50.2,-33.89,;48.87,-33.12,;48.86,-37.74,;47.53,-38.51,;46.19,-37.74,;44.86,-38.5,;47.52,-40.05,;48.86,-40.82,;48.86,-42.36,;47.53,-43.13,;46.19,-42.36,;50.2,-40.04,;50.19,-38.5,;51.52,-37.73,;52.86,-38.5,)|
CCN(CC)c1ccc(C)c2nc(c(Cl)cc12)-c1c(OC)cc(COC)cc1OC |(62.06,-27.68,;63.4,-28.45,;63.41,-29.99,;64.74,-30.75,;64.75,-32.29,;62.08,-30.76,;60.74,-30,;59.41,-30.77,;59.41,-32.31,;58.08,-33.08,;60.74,-33.08,;60.74,-34.62,;62.07,-35.39,;63.41,-34.62,;64.75,-35.38,;63.41,-33.08,;62.08,-32.31,;62.08,-36.93,;60.74,-37.7,;59.41,-36.93,;58.07,-37.7,;60.74,-39.24,;62.07,-40.01,;62.08,-41.55,;60.74,-42.32,;59.41,-41.55,;63.41,-39.23,;63.41,-37.69,;64.74,-36.92,;66.07,-37.69,)|
COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(CC3CC3)CC3CC3)c2cc1C |(19.14,-25.33,;20.48,-26.1,;21.81,-25.33,;21.81,-23.79,;20.47,-23.02,;20.47,-21.48,;19.14,-20.71,;17.81,-21.48,;21.81,-20.71,;23.14,-21.48,;24.47,-20.7,;25.81,-21.47,;23.15,-23.01,;21.81,-19.18,;20.47,-18.4,;20.48,-16.86,;19.14,-16.1,;17.81,-16.87,;19.15,-14.55,;20.48,-13.78,;21.81,-14.55,;23.14,-13.77,;24.48,-14.54,;24.48,-16.08,;23.73,-17.41,;25.27,-17.4,;23.14,-12.23,;21.8,-11.47,;21.03,-10.14,;20.26,-11.48,;21.82,-16.1,;23.15,-16.86,;23.15,-18.4,;24.48,-19.17,)|
CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(C)cc1OC |(3.3,6.94,;1.97,6.16,;1.98,4.62,;3.32,3.86,;4.55,4.53,;.65,3.84,;-.69,4.61,;-2.02,3.83,;-2.01,2.29,;-3.34,1.52,;-4.68,2.28,;-.67,1.53,;-.67,-.01,;.67,-.78,;2,,;3.34,-.76,;1.99,1.54,;.66,2.3,;.67,-2.32,;-.66,-3.09,;-1.99,-2.33,;-3.32,-3.1,;-.65,-4.63,;.69,-5.4,;.69,-6.94,;2.02,-4.62,;2.01,-3.08,;3.34,-2.3,;4.68,-3.07,)|
CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(cc1OC)C#N |(3.34,3.08,;3.34,4.62,;2.01,5.39,;2.01,6.93,;3.34,7.7,;.67,4.62,;-.66,5.39,;-2,4.62,;-2,3.08,;-3.33,2.32,;-4.67,3.09,;-.67,2.31,;-.67,.77,;.67,0,;2,.77,;3.33,-0,;2,2.31,;.67,3.08,;.67,-1.54,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;2,-3.85,;.66,-4.62,;-.67,-3.85,;-.67,-2.31,;-2,-1.54,;-3.34,-2.3,;.66,-6.16,;.66,-7.7,)|
CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(Cl)cc(COC)cc1OC |(3.38,8.07,;2.04,7.32,;2.01,5.78,;3.33,4.99,;4.69,5.72,;.67,5.04,;-.65,5.83,;-2,5.08,;-2.02,3.54,;-3.37,2.79,;-4.69,3.58,;-.7,2.75,;-.73,1.21,;.6,.42,;1.94,1.17,;3.26,.37,;1.96,2.7,;.64,3.5,;.57,-1.12,;1.89,-1.91,;3.24,-1.17,;1.87,-3.45,;.52,-4.2,;.5,-5.74,;1.82,-6.53,;1.8,-8.07,;-.8,-3.41,;-.77,-1.87,;-2.1,-1.08,;-3.44,-1.83,)|
COCCN(CC(C)C)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(1.41,9.22,;.07,8.47,;.05,6.93,;1.37,6.14,;1.35,4.6,;2.68,3.82,;4.02,4.57,;5.34,3.78,;4.04,6.11,;.01,3.85,;-1.31,4.64,;-2.66,3.88,;-2.68,2.34,;-4.02,1.59,;-5.34,2.38,;-1.35,1.56,;-1.37,.02,;-.05,-.77,;1.29,-.02,;2.62,-.8,;1.31,1.52,;-.01,2.31,;-.07,-2.31,;-1.41,-3.06,;-2.74,-2.28,;-4.08,-3.03,;-1.43,-4.6,;-.11,-5.39,;-.13,-6.93,;-1.47,-7.68,;-1.49,-9.22,;1.24,-4.64,;1.25,-3.1,;2.6,-2.34,;3.92,-3.13,)|
CCCN(CCC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.01,7.31,;2.67,8.08,;1.34,7.31,;1.34,5.77,;2.67,5,;4,5.77,;5.34,5,;0,5.01,;-1.33,5.78,;-2.67,5.01,;-2.67,3.47,;-4,2.7,;-5.34,3.47,;-1.34,2.7,;-1.34,1.16,;-.01,.39,;1.33,1.15,;2.66,.38,;1.33,2.69,;-0,3.47,;-.01,-1.15,;-1.34,-1.92,;-2.68,-1.15,;-4.01,-1.92,;-1.35,-3.46,;-.01,-4.23,;-.01,-5.77,;-1.35,-6.54,;-1.35,-8.08,;1.32,-3.47,;1.32,-1.93,;2.66,-1.16,;3.99,-1.93,)|
CCN(CCOC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(1.98,8.1,;.65,7.32,;.66,5.78,;2,5.02,;3.33,5.8,;4.67,5.03,;5.99,5.81,;-.67,5,;-2.01,5.76,;-3.34,4.98,;-3.33,3.44,;-4.66,2.67,;-5.99,3.43,;-1.99,2.68,;-1.98,1.14,;-.64,.38,;.69,1.16,;2.03,.4,;.68,2.7,;-.66,3.46,;-.63,-1.16,;-1.96,-1.94,;-3.3,-1.18,;-4.63,-1.95,;-1.95,-3.48,;-.61,-4.24,;-.6,-5.78,;-1.93,-6.56,;-1.92,-8.1,;.72,-3.46,;.71,-1.92,;2.04,-1.14,;3.37,-1.9,)|
CCN(CC)c1ccc(OC)c2nc(c(CC)cc12)-c1c(OC)cc(COC)cc1OC |(4.67,5.76,;3.33,5,;2,5.77,;2.01,7.31,;3.35,8.08,;.67,5.01,;-.66,5.78,;-2,5.02,;-2.01,3.48,;-3.34,2.71,;-4.67,3.49,;-.68,2.7,;-.68,1.16,;.65,.39,;1.98,1.15,;3.32,.38,;4.65,1.15,;1.99,2.69,;.66,3.47,;.64,-1.15,;-.69,-1.92,;-2.03,-1.14,;-3.36,-1.91,;-.7,-3.46,;.63,-4.23,;.62,-5.77,;-.71,-6.54,;-.72,-8.08,;1.97,-3.47,;1.97,-1.93,;3.31,-1.16,;4.64,-1.94,)|
CCN(CC)c1ccc(OC)c2nc(c(Cl)cc12)-c1c(OC)cc(COC)cc1OC |(4.67,5.76,;3.33,5,;2,5.77,;2.01,7.31,;3.35,8.08,;.67,5.01,;-.66,5.78,;-2,5.02,;-2.01,3.48,;-3.34,2.71,;-4.67,3.49,;-.68,2.7,;-.68,1.16,;.65,.39,;1.98,1.15,;3.32,.38,;1.99,2.69,;.66,3.47,;.64,-1.15,;-.69,-1.92,;-2.03,-1.14,;-3.36,-1.91,;-.7,-3.46,;.63,-4.23,;.62,-5.77,;-.71,-6.54,;-.72,-8.08,;1.97,-3.47,;1.97,-1.93,;3.31,-1.16,;4.64,-1.94,)|
CCN(CC)c1ccc(OC)c2nc(c(F)cc12)-c1c(OC)cc(COC)cc1OC |(3.29,8.1,;1.96,7.32,;1.97,5.78,;3.31,5.02,;4.64,5.79,;.64,5,;-.7,5.76,;-2.03,4.98,;-2.02,3.44,;-3.35,2.67,;-4.69,3.43,;-.68,2.68,;-.67,1.14,;.67,.38,;2,1.16,;3.34,.4,;1.99,2.7,;.65,3.46,;.68,-1.16,;-.65,-1.94,;-1.99,-1.18,;-3.32,-1.95,;-.64,-3.48,;.7,-4.24,;.71,-5.78,;-.62,-6.56,;-.61,-8.1,;2.03,-3.46,;2.02,-1.92,;3.35,-1.14,;4.69,-1.9,)|
CCN(CC)c1ccc(OC)c2nc(ccc12)-c1c(OC)cc(COC)cc1OC
CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(3.37,8.06,;2.03,7.31,;2.01,5.77,;3.33,4.98,;4.69,5.72,;.67,5.01,;-.66,5.8,;-2,5.04,;-2.02,3.5,;-3.36,2.75,;-4.69,3.54,;-.69,2.72,;-.71,1.18,;.61,.39,;1.95,1.15,;3.28,.36,;1.97,2.69,;.65,3.47,;.59,-1.15,;-.75,-1.9,;-2.07,-1.11,;-3.42,-1.87,;-.77,-3.44,;.56,-4.23,;.54,-5.77,;-.8,-6.52,;-.82,-8.06,;1.9,-3.47,;1.92,-1.93,;3.26,-1.18,;4.58,-1.96,)|
CCN(CC)c1ccc(C#N)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.59,5.83,;3.28,5.03,;1.94,5.78,;1.92,7.32,;3.25,8.11,;.61,5,;-.73,5.75,;-2.05,4.97,;-2.04,3.43,;-3.36,2.65,;-4.69,1.86,;-.7,2.67,;-.68,1.13,;.66,.38,;1.99,1.16,;3.33,.41,;1.97,2.7,;.63,3.46,;.68,-1.16,;-.65,-1.95,;-1.99,-1.19,;-3.31,-1.97,;-.63,-3.49,;.71,-4.24,;.73,-5.78,;-.6,-6.57,;-.58,-8.11,;2.04,-3.46,;2.02,-1.92,;3.35,-1.13,;4.69,-1.89,)|
CCN(CC)c1ccc(c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC)C(F)(F)F |(3.33,8.09,;2,7.32,;2,5.78,;3.33,5.01,;4.67,5.78,;.67,5,;-.67,5.77,;-2,5,;-2,3.46,;-.67,2.69,;-.67,1.15,;.67,.38,;2,1.16,;3.33,.39,;2,2.7,;.67,3.46,;.67,-1.16,;-.67,-1.93,;-2,-1.16,;-3.33,-1.93,;-.67,-3.47,;.67,-4.24,;.67,-5.78,;-.67,-6.55,;-.67,-8.09,;2,-3.46,;2,-1.92,;3.33,-1.15,;4.67,-1.92,;-3.33,2.69,;-4.42,3.78,;-4.67,1.92,;-3.33,1.15,)|
CCN(CC)c1ccc(Cl)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.04,5.73,;2.69,4.99,;1.36,5.77,;1.38,7.31,;2.72,8.07,;.02,5.01,;-1.3,5.79,;-2.64,5.03,;-2.66,3.49,;-4,2.74,;-1.33,2.71,;-1.34,1.17,;-.02,.39,;1.32,1.15,;2.65,.37,;1.34,2.69,;.01,3.47,;-.03,-1.15,;-1.37,-1.91,;-2.7,-1.13,;-4.04,-1.88,;-1.39,-3.45,;-.06,-4.23,;-.07,-5.77,;-1.41,-6.53,;-1.43,-8.07,;1.28,-3.47,;1.3,-1.93,;2.64,-1.17,;3.96,-1.95,)|
CCN(CC)c1ccc(F)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(2.67,8.08,;1.34,7.31,;1.34,5.77,;2.67,5,;4,5.77,;0,5.01,;-1.33,5.78,;-2.67,5.01,;-2.67,3.47,;-4,2.7,;-1.33,2.7,;-1.33,1.16,;-0,.39,;1.33,1.15,;2.67,.38,;1.33,2.69,;0,3.47,;-0,-1.15,;-1.34,-1.92,;-2.67,-1.15,;-4,-1.92,;-1.34,-3.46,;-0,-4.23,;-0,-5.77,;-1.34,-6.54,;-1.34,-8.08,;1.33,-3.47,;1.33,-1.93,;2.67,-1.16,;4,-1.93,)|
CCN(CC)c1ccc(COC)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.02,8.08,;2.68,7.31,;2.68,5.77,;4.01,5,;5.34,5.77,;1.34,5.01,;.01,5.78,;-1.33,5.02,;-1.34,3.48,;-2.67,2.71,;-4,3.49,;-5.34,2.72,;-0,2.7,;-.01,1.16,;1.32,.39,;2.66,1.15,;3.99,.38,;2.66,2.69,;1.33,3.47,;1.31,-1.15,;-.02,-1.92,;-1.35,-1.14,;-2.69,-1.91,;-.03,-3.46,;1.3,-4.23,;1.29,-5.77,;-.04,-6.54,;-.05,-8.08,;2.64,-3.47,;2.64,-1.93,;3.98,-1.16,;5.31,-1.94,)|
CCN(CC)c1ccc(C(F)F)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.63,5.81,;3.3,5.02,;1.97,5.78,;1.95,7.32,;3.28,8.1,;.64,5,;-.7,5.76,;-2.03,4.98,;-2.02,3.44,;-3.35,2.66,;-4.69,3.42,;-3.34,1.12,;-.68,2.68,;-.67,1.14,;.67,.38,;2,1.16,;3.34,.4,;1.99,2.7,;.65,3.46,;.68,-1.16,;-.65,-1.94,;-1.99,-1.18,;-3.32,-1.96,;-.64,-3.48,;.7,-4.24,;.71,-5.78,;-.61,-6.56,;-.6,-8.1,;2.03,-3.46,;2.02,-1.92,;3.35,-1.14,;4.69,-1.9,)|
COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(-.62,5.04,;-1.96,5.81,;-3.29,5.03,;-4.63,5.8,;-5.96,5.03,;-7.29,5.79,;-8.63,5.02,;-9.96,5.78,;-11.29,5.01,;-5.95,3.49,;-7.28,2.71,;-7.28,1.17,;-8.62,.4,;-5.95,.4,;-4.62,1.17,;-3.14,.69,;-2.23,1.95,;-.69,1.95,;-3.14,3.2,;-4.62,2.72,;-2.34,-.61,;-3.16,-1.92,;-2.44,-3.28,;-.9,-3.34,;-.17,-4.69,;-.08,-2.02,;-.8,-.67,;.01,.64,)|
COCCN(CCOC)Cc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(25.82,-9.73,;27.14,-10.52,;27.12,-12.06,;25.77,-12.81,;25.76,-14.34,;27.09,-15.12,;28.43,-14.35,;29.76,-15.12,;31.1,-14.36,;24.43,-15.12,;24.44,-16.66,;23.11,-17.43,;23.11,-18.97,;21.78,-19.74,;24.44,-19.74,;25.78,-18.97,;27.25,-19.46,;28.17,-18.2,;29.7,-18.19,;27.25,-16.94,;25.78,-17.42,;27.99,-20.8,;27.19,-22.11,;27.92,-23.47,;29.46,-23.5,;30.21,-24.85,;30.26,-22.17,;29.52,-20.83,;30.32,-19.51,)|
COCC(COC)n1cc(Br)nc(Nc2cc(C)c(OC)cc2C)c1=O
COCC(COC)n1cc(Br)nc(Nc2c(C)cc(OCF)cc2C)c1=O
COCC(COC)n1cc(Br)nc(Nc2c(C)cc(OC)cc2C)c1=O
COCC(COC)n1cc(Cl)nc(Nc2c(Cl)cc(OCCF)cc2Cl)c1=O
COCC(COC)n1cc(Cl)nc(Nc2c(Cl)cc(OCF)cc2Cl)c1=O
COCC(COC)n1cc(Cl)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OCCF)cc2C)c1=O |r|
COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OCF)cc2C)c1=O |r|
CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(2.51,-41.6,;3.29,-42.93,;4.83,-42.92,;5.59,-41.58,;7.13,-41.58,;7.85,-40.22,;9.39,-40.17,;10.11,-38.82,;9.3,-37.51,;7.76,-37.56,;7.03,-38.92,;7.67,-43.03,;6.79,-44.29,;5.26,-44.32,;4.52,-45.67,;7.72,-45.51,;9.18,-45.01,;10.66,-45.45,;11.53,-44.19,;10.6,-42.96,;9.15,-43.47,;11.4,-46.8,;10.62,-48.12,;9.08,-48.09,;8.28,-49.41,;11.36,-49.46,;12.9,-49.49,;13.65,-50.84,;15.19,-50.87,;15.93,-52.21,;17.47,-52.24,;13.69,-48.17,;12.94,-46.82,;13.74,-45.5,;12.99,-44.16,)|
CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C#N |(24.95,-40.75,;25.72,-42.08,;27.26,-42.07,;28.03,-40.74,;29.57,-40.73,;30.29,-39.37,;31.83,-39.32,;32.55,-37.97,;31.74,-36.66,;30.19,-36.71,;29.46,-38.07,;30.11,-42.18,;29.23,-43.44,;27.69,-43.47,;26.95,-44.82,;30.16,-44.66,;31.62,-44.16,;33.1,-44.6,;33.97,-43.34,;33.04,-42.11,;31.59,-42.62,;33.84,-45.95,;33.05,-47.27,;31.51,-47.24,;30.72,-48.57,;33.8,-48.62,;35.34,-48.64,;36.13,-47.33,;35.38,-45.97,;36.17,-44.66,;37.71,-44.68,;36.09,-49.99,;36.84,-51.33,)|
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1ccc(COC)cc1OC
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(Cl)cc(COC)cc1OC |(4.17,-24.41,;5.71,-24.4,;6.47,-23.06,;8.01,-23.06,;8.74,-21.7,;10.28,-21.65,;11,-20.3,;10.19,-18.98,;8.64,-19.04,;7.91,-20.4,;8.56,-24.51,;7.68,-25.77,;6.14,-25.8,;5.4,-27.15,;8.61,-26.99,;10.07,-26.49,;11.55,-26.93,;12.42,-25.67,;11.49,-24.44,;10.04,-24.95,;12.29,-28.28,;13.83,-28.3,;14.62,-26.98,;14.58,-29.65,;13.79,-30.97,;14.53,-32.32,;16.08,-32.34,;16.82,-33.69,;12.25,-30.94,;11.5,-29.6,;9.96,-29.57,;9.16,-30.89,)|
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C#N |(23.92,-9.38,;25.46,-9.38,;26.22,-8.04,;27.76,-8.04,;28.49,-6.67,;30.03,-6.63,;30.75,-5.27,;29.93,-3.96,;28.39,-4.01,;27.66,-5.38,;28.31,-9.48,;27.43,-10.74,;25.89,-10.78,;25.15,-12.13,;28.36,-11.97,;29.82,-11.46,;31.29,-11.91,;32.17,-10.64,;31.24,-9.42,;29.78,-9.93,;32.04,-13.25,;31.25,-14.57,;29.71,-14.55,;28.91,-15.87,;31.99,-15.92,;33.54,-15.95,;34.33,-14.63,;33.58,-13.28,;34.37,-11.96,;35.91,-11.98,;34.28,-17.3,;35.04,-18.64,)|
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(4.37,-7.47,;5.91,-7.46,;6.68,-6.13,;8.22,-6.12,;8.94,-4.76,;10.48,-4.71,;11.2,-3.36,;10.39,-2.05,;8.85,-2.1,;8.11,-3.46,;8.76,-7.57,;7.88,-8.83,;6.34,-8.86,;5.6,-10.21,;8.81,-10.06,;10.27,-9.55,;11.75,-9.99,;12.62,-8.73,;11.69,-7.5,;10.24,-8.01,;12.49,-11.34,;11.71,-12.66,;10.16,-12.64,;9.37,-13.96,;12.45,-14.01,;13.99,-14.03,;14.74,-15.38,;16.28,-15.41,;17.02,-16.75,;18.56,-16.78,;14.78,-12.72,;14.03,-11.37,;14.83,-10.05,;16.36,-10.07,)|
COCc1cc(OC)c(-c2csc3c(N(CC(C)C)C4CCOCC4)c(OC)nn23)c(OC)c1 |(49.89,-48.42,;49.15,-47.08,;47.61,-47.05,;46.86,-45.7,;45.32,-45.68,;44.57,-44.33,;43.03,-44.31,;42.23,-45.63,;45.36,-43.01,;44.62,-41.67,;45.49,-40.4,;44.56,-39.17,;43.11,-39.69,;41.63,-39.24,;41.09,-37.79,;39.54,-37.8,;38.77,-36.47,;37.23,-36.47,;39.54,-35.13,;41.81,-36.43,;43.35,-36.39,;44.07,-35.03,;43.26,-33.72,;41.71,-33.77,;40.98,-35.14,;40.75,-40.5,;39.21,-40.54,;38.47,-41.89,;41.68,-41.73,;43.14,-41.22,;46.9,-43.04,;47.69,-41.72,;49.23,-41.74,;47.65,-44.39,)|
COCc1cc(OC)c(-c2csc3c(N(C(C)C)C4CCOCC4)c(OC)nn23)c(OC)c1 |(32.39,-47.8,;31.65,-46.45,;30.11,-46.43,;29.36,-45.08,;27.82,-45.05,;27.07,-43.71,;25.53,-43.68,;24.73,-45,;27.86,-42.39,;27.12,-41.04,;27.99,-39.78,;27.06,-38.55,;25.61,-39.06,;24.13,-38.62,;23.59,-37.17,;22.04,-37.17,;21.28,-38.51,;21.27,-35.84,;24.31,-35.81,;25.85,-35.76,;26.57,-34.41,;25.76,-33.09,;24.21,-33.15,;23.48,-34.51,;23.25,-39.88,;21.71,-39.91,;20.97,-41.26,;24.18,-41.1,;25.64,-40.6,;29.4,-42.41,;30.19,-41.1,;31.73,-41.12,;30.15,-43.76,)|
CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(2.77,-37.47,;3.55,-38.8,;5.09,-38.79,;5.85,-37.45,;7.39,-37.45,;8.11,-36.09,;9.66,-36.04,;10.38,-34.69,;9.56,-33.38,;8.02,-33.43,;7.29,-34.79,;7.94,-38.9,;7.06,-40.16,;5.52,-40.19,;4.78,-41.54,;7.99,-41.38,;9.45,-40.88,;10.92,-41.32,;11.8,-40.06,;10.87,-38.83,;9.41,-39.34,;11.67,-42.67,;10.88,-43.99,;9.34,-43.96,;8.54,-45.28,;11.62,-45.33,;13.17,-45.36,;13.91,-46.71,;15.46,-46.74,;16.2,-48.08,;13.96,-44.04,;13.21,-42.69,;14,-41.38,;15.54,-41.4,)|
COCc1cc(OC)c(-c2csc3c(N(CCC4CC4)C4CCOCC4)c(OC)nn23)c(OC)c1 |(48.83,-31.39,;48.08,-30.05,;46.54,-30.02,;45.79,-28.67,;44.25,-28.64,;43.51,-27.3,;41.97,-27.27,;41.17,-28.59,;44.3,-25.98,;43.55,-24.63,;44.42,-23.37,;43.5,-22.14,;42.04,-22.65,;40.57,-22.21,;40.02,-20.76,;38.48,-20.76,;37.71,-19.43,;36.17,-19.44,;34.83,-18.68,;34.84,-20.22,;40.74,-19.4,;42.28,-19.35,;43,-18,;42.19,-16.68,;40.65,-16.74,;39.92,-18.1,;39.68,-23.47,;38.15,-23.5,;37.41,-24.85,;40.62,-24.69,;42.07,-24.19,;45.84,-26,;46.63,-24.69,;48.16,-24.71,;46.58,-27.35,)|
CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(17.83,-21.66,;19.37,-21.66,;20.13,-20.32,;21.67,-20.32,;22.39,-18.95,;23.94,-18.91,;24.66,-17.55,;23.84,-16.24,;22.3,-16.29,;21.57,-17.66,;22.22,-21.76,;21.34,-23.03,;19.8,-23.06,;19.06,-24.41,;22.27,-24.25,;23.73,-23.74,;25.2,-24.19,;26.08,-22.92,;25.15,-21.7,;23.69,-22.21,;25.95,-25.53,;25.16,-26.85,;23.62,-26.83,;22.82,-28.15,;25.9,-28.2,;27.44,-28.23,;28.19,-29.58,;29.73,-29.6,;30.48,-30.95,;28.24,-26.91,;27.49,-25.56,;28.28,-24.24,;29.82,-24.26,)|
CCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(3.39,-22.15,;4.15,-20.81,;5.69,-20.81,;6.41,-19.44,;7.95,-19.4,;8.67,-18.05,;7.86,-16.73,;6.32,-16.79,;5.59,-18.15,;6.23,-22.25,;5.35,-23.52,;3.82,-23.55,;3.08,-24.9,;6.28,-24.74,;7.74,-24.23,;9.22,-24.68,;10.09,-23.42,;9.16,-22.19,;7.71,-22.7,;9.96,-26.02,;9.17,-27.34,;7.63,-27.32,;6.84,-28.64,;9.92,-28.69,;11.46,-28.71,;12.21,-30.06,;13.75,-30.09,;14.49,-31.44,;12.25,-27.4,;11.5,-26.05,;12.29,-24.73,;13.83,-24.75,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C4CCOCC4)c(OC)nn23)c(OC)c1 |(48.64,-15.26,;47.9,-13.92,;46.36,-13.89,;45.61,-12.54,;44.07,-12.52,;43.33,-11.17,;41.79,-11.15,;40.99,-12.47,;44.11,-9.85,;43.37,-8.51,;44.24,-7.25,;43.32,-6.02,;41.86,-6.53,;40.39,-6.09,;39.84,-4.64,;38.32,-4.39,;37.35,-5.59,;35.91,-6.13,;37.1,-7.11,;40.56,-3.28,;42.1,-3.23,;42.82,-1.88,;42.01,-.57,;40.47,-.62,;39.74,-1.99,;39.5,-7.35,;37.97,-7.38,;37.23,-8.73,;40.44,-8.57,;41.89,-8.07,;45.65,-9.88,;46.44,-8.57,;47.98,-8.59,;46.4,-11.23,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCCO4)c(OC)nn23)c(OC)c1 |(15.79,-14.95,;15.04,-13.6,;13.5,-13.58,;12.76,-12.23,;11.22,-12.2,;10.47,-10.86,;8.93,-10.83,;8.13,-12.15,;11.26,-9.54,;10.52,-8.19,;11.39,-6.93,;10.46,-5.7,;9.01,-6.22,;7.53,-5.77,;6.99,-4.32,;5.47,-4.08,;4.5,-5.27,;3.05,-5.81,;4.25,-6.79,;7.74,-2.98,;6.8,-1.76,;7.22,-.29,;5.94,.59,;4.73,-.37,;5.25,-1.82,;6.65,-7.03,;5.11,-7.06,;4.37,-8.41,;7.58,-8.26,;9.04,-7.75,;12.8,-9.56,;13.59,-8.25,;15.13,-8.27,;13.55,-10.92,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOC4)c(OC)nn23)c(OC)c1 |(35.84,-54.51,;35.1,-53.16,;33.55,-53.14,;32.81,-51.79,;31.27,-51.76,;30.52,-50.42,;28.98,-50.39,;28.18,-51.71,;31.31,-49.1,;30.57,-47.75,;31.44,-46.49,;30.51,-45.26,;29.06,-45.77,;27.58,-45.33,;27.04,-43.88,;25.52,-43.63,;24.55,-44.82,;23.1,-45.37,;24.3,-46.35,;27.79,-42.54,;26.85,-41.32,;27.27,-39.84,;25.99,-38.98,;24.78,-39.92,;25.3,-41.37,;26.7,-46.59,;25.16,-46.62,;24.42,-47.97,;27.63,-47.81,;29.09,-47.31,;32.85,-49.12,;33.64,-47.81,;35.18,-47.83,;33.6,-50.47,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCCCO4)c(OC)nn23)c(OC)c1 |(17.31,-54.73,;16.57,-53.39,;15.03,-53.36,;14.28,-52.01,;12.74,-51.99,;12,-50.64,;10.46,-50.62,;9.66,-51.94,;12.78,-49.32,;12.04,-47.98,;12.91,-46.72,;11.99,-45.49,;10.53,-46,;9.06,-45.55,;8.51,-44.11,;6.99,-43.86,;6.02,-45.05,;4.58,-45.6,;5.78,-46.57,;9.27,-42.77,;8.48,-41.45,;9.23,-40.11,;8.44,-38.78,;6.9,-38.8,;6.15,-40.15,;6.94,-41.47,;8.18,-46.82,;6.64,-46.85,;5.9,-48.2,;9.11,-48.04,;10.57,-47.53,;14.32,-49.35,;15.12,-48.03,;16.65,-48.05,;15.07,-50.7,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCCOC4)c(OC)nn23)c(OC)c1 |(37.2,-35.01,;36.46,-33.66,;34.92,-33.64,;34.17,-32.29,;32.63,-32.26,;31.88,-30.92,;30.35,-30.9,;29.55,-32.21,;32.67,-29.6,;31.93,-28.26,;32.8,-26.99,;31.87,-25.77,;30.42,-26.28,;28.94,-25.83,;28.4,-24.39,;26.88,-24.14,;25.91,-25.33,;24.47,-25.88,;25.66,-26.85,;29.16,-23.04,;28.36,-21.72,;29.12,-20.39,;28.33,-19.06,;26.79,-19.08,;26.04,-20.42,;26.82,-21.74,;28.06,-27.09,;26.53,-27.13,;25.79,-28.48,;28.99,-28.32,;30.45,-27.81,;34.21,-29.63,;35,-28.31,;36.54,-28.33,;34.96,-30.98,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4(F)CCOCC4)c(OC)nn23)c(OC)c1 |(17.48,-35.29,;16.73,-33.94,;15.19,-33.92,;14.44,-32.57,;12.9,-32.54,;12.16,-31.2,;10.62,-31.17,;9.82,-32.49,;12.95,-29.88,;12.21,-28.54,;13.08,-27.27,;12.15,-26.05,;10.7,-26.56,;9.22,-26.11,;8.68,-24.67,;7.16,-24.42,;6.19,-25.61,;4.74,-26.16,;5.94,-27.13,;9.43,-23.32,;8.64,-22,;10.17,-22,;9.39,-20.67,;8.6,-19.34,;7.06,-19.36,;6.32,-20.7,;7.1,-22.02,;8.34,-27.37,;6.81,-27.41,;6.07,-28.76,;9.27,-28.6,;10.73,-28.09,;14.49,-29.91,;15.28,-28.59,;16.81,-28.61,;15.24,-31.26,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4(O)CCOCC4)c(OC)nn23)c(OC)c1 |(39.04,-16.42,;38.3,-15.08,;36.76,-15.05,;36.01,-13.7,;34.47,-13.68,;33.73,-12.33,;32.19,-12.31,;31.39,-13.63,;34.51,-11.01,;33.77,-9.67,;34.64,-8.4,;33.72,-7.18,;32.26,-7.69,;30.79,-7.24,;30.24,-5.8,;28.72,-5.55,;27.75,-6.74,;26.31,-7.29,;27.5,-8.26,;31,-4.46,;30.21,-3.13,;31.74,-3.13,;30.96,-1.8,;30.17,-.47,;28.63,-.49,;27.88,-1.83,;28.67,-3.16,;29.9,-8.51,;28.37,-8.54,;27.63,-9.89,;30.84,-9.73,;32.29,-9.22,;36.05,-11.04,;36.84,-9.72,;38.38,-9.74,;36.8,-12.39,)|
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOCC4)c(OC)nn23)c(OC)c1 |(33.89,-37.67,;33.14,-36.32,;31.61,-36.3,;30.86,-34.95,;29.32,-34.92,;28.57,-33.58,;27.03,-33.55,;26.24,-34.87,;29.36,-32.26,;28.62,-30.91,;29.49,-29.65,;28.56,-28.42,;27.11,-28.94,;25.63,-28.49,;25.09,-27.05,;23.57,-26.8,;22.6,-27.99,;21.16,-28.53,;22.35,-29.51,;25.85,-25.7,;25.05,-24.38,;25.8,-23.04,;25.02,-21.72,;23.48,-21.74,;22.73,-23.08,;23.51,-24.4,;24.75,-29.75,;23.22,-29.78,;22.48,-31.13,;25.68,-30.97,;27.14,-30.47,;30.9,-32.28,;31.69,-30.97,;33.23,-30.99,;31.65,-33.63,)|
CCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=N)sc12 |(16.61,-2.72,;16.61,-4.26,;17.95,-5.02,;19.28,-4.25,;19.28,-2.71,;17.95,-6.56,;16.63,-7.33,;16.62,-8.88,;15.29,-9.65,;17.96,-9.65,;19.3,-8.88,;20.78,-9.35,;20.77,-10.89,;19.42,-11.65,;18.1,-10.86,;19.41,-13.18,;20.74,-13.96,;20.73,-15.5,;22.08,-13.2,;22.09,-11.66,;23.42,-10.9,;21.68,-8.09,;23.22,-8.08,;20.76,-6.84,;19.29,-7.33,)|
CCCCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=N)sc12 |(33.93,-2.38,;33.94,-3.92,;32.61,-4.69,;32.61,-6.23,;31.28,-7.01,;29.95,-6.24,;29.94,-4.7,;31.29,-8.55,;29.96,-9.32,;29.95,-10.86,;28.62,-11.63,;31.29,-11.63,;32.63,-10.86,;34.11,-11.33,;34.1,-12.87,;32.75,-13.63,;31.43,-12.85,;32.74,-15.17,;34.07,-15.95,;34.06,-17.49,;35.41,-15.18,;35.42,-13.64,;36.76,-12.88,;35.01,-10.07,;36.55,-10.06,;34.09,-8.82,;32.62,-9.31,)|
CCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)\c(=N/N)sc12 |(3.83,-3.22,;3.84,-4.76,;5.17,-5.52,;6.5,-4.75,;6.5,-3.21,;5.18,-7.06,;3.85,-7.83,;3.85,-9.38,;2.51,-10.15,;5.18,-10.15,;6.52,-9.38,;8,-9.85,;7.99,-11.39,;6.64,-12.14,;5.32,-11.36,;6.63,-13.68,;7.96,-14.46,;7.95,-16,;9.3,-13.69,;9.31,-12.16,;10.65,-11.39,;8.9,-8.59,;10.44,-8.58,;11.22,-9.91,;7.98,-7.34,;6.51,-7.83,)|
CCCN([C@H](CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 |r|
CCCC[C@@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
CCC[C@@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
CCCC[C@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
CCC[C@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
CCCN([C@@H](CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 |r|
CCCC[C@H](N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1 |r|
CCCC[C@@H](N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1 |r|
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(C)c1
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCCC2=O)c(C)c1
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCN(C)C2=O)c(C)c1
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCOC2=O)c(C)c1
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)-n2cc[nH]c2=O)c(C)c1
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCCNC2=O)c(C)c1
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNS2(=O)=O)c(C)c1
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCCS2(=O)=O)c(C)c1
CCOc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(C)c1
CC(C)Oc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(C)c1
Cc1cc(c2CCN(c2n1)c1ccc(OC(F)(F)F)cc1C)-n1ccc(n1)N1CCNC1=O
Cc1cc(c2CCN(c2n1)c1ccc(cc1C)C#N)-n1ccc(n1)N1CCNC1=O
Cc1cc(c2CCN(c2n1)c1ccc(cc1C)-n1cccn1)-n1ccc(n1)N1CCNC1=O
Cc1cc(c2CCN(c2n1)c1ccc(cc1C(F)(F)F)C#N)-n1ccc(n1)N1CCNC1=O
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(c1)C(F)F
Cc1cc(c2CCN(c2n1)c1ccc(cc1OC(F)(F)F)C#N)-n1ccc(n1)N1CCNC1=O
CCc1cc(ccc1N1CCc2c1nc(C)cc2-n1ccc(n1)N1CCNC1=O)C#N
COc1cc(ccc1N1CCc2c1nc(C)cc2-n1ccc(n1)-n1cc[nH]c1=O)-n1cccn1
Cc1cc(c2CCN(c2n1)c1ccc(Cl)cc1Cl)-n1ccc(n1)-n1cc[nH]c1=O
Cc1cc(c2CCN(c2n1)c1ccc(cc1C(F)(F)F)C(F)(F)F)-n1ccc(n1)-n1cc[nH]c1=O
FC(F)(F)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C(F)(F)F
[O-][N+](=O)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C(F)(F)F
FC(F)(F)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(C)c1
Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)-n1cccn1
Cc1cc(F)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
Cc1cc(O)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
Cc1noc(C)c1-c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(C)c1
Cc1cc(OC(F)(F)F)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
CCc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(OC)c1
FC(F)(F)Oc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(Cl)c1
Clc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
CS(=O)(=O)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(Cl)c1
N#Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)-c1cccs1
N#Cc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C#N
[O-][N+](=O)c1cc(F)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
[O-][N+](=O)c1cc(Cl)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
[O-][N+](=O)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)[N+]([O-])=O
CS(=O)(=O)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)S(C)(=O)=O
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C(F)F
COc1ccc(cc1)N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
Fc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(C)n1
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(OC)n1
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(n1)C(F)(F)F
CN(C)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(C)n1
Clc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1ccccn1)C#N
Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1ccccn1)C#N
FC(F)(F)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1ccccn1)C#N
Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-n1cccn1)C#N
Clc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-n1cccn1)C#N
FC(F)(F)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-n1cccn1)C#N
COc1ccc(c(C)c1)-n1ccc2c(cc(C)nc12)-n1ccc(n1)-c1nccs1
Cc1cc(-n2ccc(n2)-c2nccs2)c2cnn(-c3ccc(cc3C)C#N)c2n1
Cc1cc(-n2ccc(n2)-c2nccs2)c2nc(n(-c3ccc(cc3C(F)(F)F)C(F)(F)F)c2n1)C(F)(F)F |(10.43,-27.88,;11.76,-27.11,;11.77,-25.57,;13.09,-24.79,;13.09,-23.26,;11.84,-22.35,;12.31,-20.89,;13.85,-20.88,;14.33,-22.35,;14.76,-19.64,;16.3,-19.63,;16.77,-18.17,;15.53,-17.28,;14.28,-18.18,;14.43,-25.56,;15.9,-25.08,;16.82,-26.33,;15.9,-27.59,;15.44,-29.06,;13.93,-29.38,;13.46,-30.85,;14.5,-31.99,;16.01,-31.65,;16.47,-30.19,;17.98,-29.86,;19.5,-29.6,;17.68,-28.34,;18.26,-31.37,;14.03,-33.46,;15.49,-33.96,;12.58,-32.95,;13.57,-34.92,;14.43,-27.11,;13.1,-27.88,;18.36,-26.33,;19.9,-26.33,;18.36,-27.87,;18.36,-24.79,)|
Cc1cc(c2CS(=O)(=O)N(c2n1)c1ccc(cc1C(F)(F)F)C(F)(F)F)-n1ccc(n1)-c1nccs1
COc1ccc2N(CCc2c1)c1cc(cc(C)n1)-n1ccc(n1)-c1nccs1
Cc1cc(-n2ccc(n2)-c2nccs2)c2[nH]c(=O)n(-c3ccc(cc3C(F)(F)F)C(F)(F)F)c2n1 |(21.34,-6.37,;22.68,-5.6,;22.68,-4.05,;24.01,-3.28,;24,-1.74,;22.75,-.84,;23.23,.63,;24.77,.63,;25.25,-.83,;25.68,1.87,;27.22,1.88,;27.69,3.34,;26.44,4.23,;25.19,3.34,;25.34,-4.05,;26.82,-3.57,;27.73,-4.82,;29.27,-4.82,;26.82,-6.08,;27.29,-7.53,;26.26,-8.68,;26.73,-10.14,;28.24,-10.46,;29.27,-9.31,;28.79,-7.85,;29.82,-6.7,;30.91,-5.6,;28.7,-5.65,;30.94,-7.76,;28.72,-11.93,;29.11,-13.41,;30.2,-11.49,;27.25,-12.37,;25.34,-5.6,;24.01,-6.37,)|
Cc1nc2c(cc(C)nc2n1-c1ccc(cc1C(F)(F)F)C(F)(F)F)-n1ccc(n1)-c1nccs1 |(.44,-25.52,;-1.1,-25.52,;-2.01,-24.26,;-3.48,-24.74,;-4.82,-23.98,;-6.15,-24.75,;-6.15,-26.29,;-7.48,-27.06,;-4.81,-27.06,;-3.48,-26.29,;-2.01,-26.77,;-1.53,-28.23,;-2.56,-29.38,;-2.09,-30.84,;-.58,-31.16,;.45,-30.01,;-.03,-28.55,;1,-27.4,;2.08,-26.3,;-.13,-26.35,;2.11,-28.46,;-.1,-32.62,;.29,-34.11,;1.37,-32.19,;-1.58,-33.07,;-4.82,-22.44,;-6.07,-21.54,;-5.6,-20.07,;-4.06,-20.07,;-3.58,-21.53,;-3.15,-18.82,;-1.61,-18.82,;-1.14,-17.35,;-2.39,-16.47,;-3.63,-17.36,)|
COc1ccc(-c2c(C)nn3c(NCc4nc(C)no4)cc(C)nc23)c(C)c1 |(6.38,-31.64,;4.84,-31.6,;4.1,-30.25,;2.56,-30.2,;1.84,-28.87,;2.63,-27.55,;1.89,-26.2,;2.79,-24.96,;4.33,-24.95,;1.88,-23.72,;.43,-24.19,;-.91,-23.43,;-.91,-21.89,;-2.31,-21.25,;-3.57,-22.14,;-5.03,-21.65,;-5.94,-22.86,;-7.48,-22.84,;-5.06,-24.13,;-3.58,-23.68,;-2.25,-24.2,;-2.24,-25.75,;-3.57,-26.52,;-.9,-26.5,;.43,-25.73,;4.17,-27.59,;4.97,-26.27,;4.91,-28.95,)|
CCN(Cc1nc(C)no1)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(18.29,-22.05,;16.95,-21.3,;15.64,-22.08,;14.29,-21.33,;13.03,-22.21,;11.57,-21.7,;10.65,-22.92,;9.11,-22.88,;11.52,-24.19,;13,-23.75,;15.65,-23.62,;14.32,-24.41,;14.34,-25.95,;13.02,-26.74,;15.69,-26.7,;17.01,-25.91,;18.48,-26.37,;19.37,-25.12,;20.91,-25.1,;18.45,-23.89,;17,-24.38,;19.19,-27.74,;18.37,-29.04,;19.07,-30.39,;20.61,-30.47,;21.31,-31.83,;22.86,-31.91,;21.44,-29.18,;20.73,-27.81,;21.56,-26.51,)|
CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |(-2.06,-31.7,;-3.39,-32.46,;-3.39,-34,;-2.06,-34.77,;-2.07,-36.31,;-3.41,-37.08,;-3.41,-38.62,;-4.75,-39.39,;-2.08,-39.39,;-.75,-38.62,;.72,-39.1,;1.63,-37.87,;3.17,-37.87,;.72,-36.62,;-.74,-37.08,;1.47,-40.45,;.69,-41.78,;1.43,-43.1,;2.97,-43.13,;3.72,-44.47,;5.27,-44.5,;3.76,-41.82,;3.01,-40.46,;3.8,-39.14,;-4.65,-34.89,;-6.11,-34.39,;-7.02,-35.61,;-8.56,-35.59,;-6.14,-36.88,;-4.66,-36.43,)|
CC[C@@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wU:2.2,(12.72,-33.43,;14.06,-34.18,;14.08,-35.71,;15.43,-36.46,;15.45,-38.01,;14.11,-38.8,;14.13,-40.34,;12.81,-41.13,;15.48,-41.08,;16.8,-40.3,;18.27,-40.76,;19.16,-39.51,;20.7,-39.48,;18.24,-38.27,;16.79,-38.76,;19.05,-42.09,;18.28,-43.43,;19.04,-44.74,;20.58,-44.75,;21.35,-46.08,;22.9,-46.08,;21.35,-43.42,;20.58,-42.08,;21.35,-40.75,;12.85,-36.64,;11.38,-36.18,;10.5,-37.42,;8.96,-37.45,;11.41,-38.66,;12.88,-38.18,)|
CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wD:2.2,(20.63,-20.94,;21.95,-21.72,;21.94,-23.26,;23.27,-24.04,;23.25,-25.58,;21.89,-26.34,;21.88,-27.88,;20.54,-28.64,;23.21,-28.66,;24.55,-27.91,;26,-28.4,;26.93,-27.17,;28.47,-27.19,;26.03,-25.91,;24.57,-26.37,;26.72,-29.77,;25.89,-31.07,;26.59,-32.42,;28.13,-32.5,;28.83,-33.87,;30.37,-33.94,;28.96,-31.21,;28.25,-29.84,;29.08,-28.54,;20.69,-24.16,;19.23,-23.68,;18.32,-24.9,;16.78,-24.89,;19.22,-26.16,;20.69,-25.7,)|
COc1ccc(-c2c(C)nn3c(NC4(CC4)c4nc(C)no4)cc(C)nc23)c(C)c1 |(27.22,-34.82,;25.68,-34.81,;24.91,-33.47,;23.37,-33.46,;22.62,-32.15,;23.39,-30.81,;22.62,-29.48,;23.52,-28.23,;25.06,-28.22,;22.6,-26.99,;21.15,-27.47,;19.81,-26.71,;19.8,-25.17,;18.45,-24.41,;17.68,-23.07,;19.22,-23.07,;17.21,-25.32,;15.75,-24.84,;14.85,-26.06,;13.31,-26.06,;15.74,-27.32,;17.22,-26.86,;18.47,-27.49,;18.49,-29.03,;17.16,-29.81,;19.83,-29.79,;21.15,-29.01,;24.92,-30.81,;25.7,-29.48,;25.69,-32.16,)|
COc1ccc(-c2c(C)nn3c(NC4(CCC4)c4nc(C)no4)cc(C)nc23)c(C)c1 |(23.57,-41.97,;22.03,-41.99,;21.24,-40.66,;19.7,-40.67,;18.92,-39.37,;19.67,-38.02,;18.88,-36.7,;19.78,-35.46,;21.32,-35.45,;18.87,-34.21,;17.42,-34.69,;16.08,-33.93,;16.08,-32.38,;14.74,-31.62,;13.68,-30.52,;14.78,-29.45,;15.84,-30.55,;13.51,-32.56,;12.04,-32.11,;11.17,-33.36,;9.63,-33.4,;12.09,-34.59,;13.55,-34.1,;14.74,-34.7,;14.75,-36.24,;13.42,-37.02,;16.09,-37,;17.42,-36.23,;21.21,-38,;21.96,-36.65,;22,-39.33,)|
COc1ccc(-c2c(C)nn3c(NC(C)Cc4nc(C)no4)cc(C)nc23)c(C)c1 |(23.42,-39.36,;21.87,-39.32,;21.13,-37.97,;19.59,-37.92,;18.86,-36.59,;19.65,-35.27,;18.91,-33.92,;19.83,-32.69,;21.37,-32.69,;18.93,-31.43,;17.46,-31.89,;16.13,-31.12,;16.14,-29.57,;14.82,-28.8,;14.83,-27.26,;13.49,-29.55,;12.28,-28.6,;10.8,-29.02,;9.95,-27.74,;8.42,-27.68,;10.9,-26.54,;12.34,-27.07,;14.78,-31.88,;14.78,-33.42,;13.44,-34.19,;16.11,-34.2,;17.45,-33.43,;21.19,-35.3,;21.99,-33.98,;21.94,-36.66,)|
CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nnc(C)o1 |(13.26,-29.56,;14.57,-30.33,;14.57,-31.87,;15.9,-32.65,;15.88,-34.19,;14.52,-34.95,;14.51,-36.49,;13.17,-37.25,;15.84,-37.27,;17.18,-36.52,;18.64,-37.01,;19.56,-35.78,;21.1,-35.8,;18.67,-34.52,;17.2,-34.98,;19.41,-38.34,;18.64,-39.68,;19.4,-41,;20.94,-41.01,;21.71,-42.34,;23.26,-42.35,;21.72,-39.69,;20.95,-38.34,;21.72,-37.01,;13.33,-32.79,;13.35,-34.33,;11.88,-34.8,;10.97,-33.56,;9.43,-33.57,;11.86,-32.32,)|
COc1ccc(-c2c(C)nn3c(NC(C)Cc4nnc(C)o4)cc(C)nc23)c(C)c1 |(24.76,-42.57,;23.22,-42.6,;22.42,-41.28,;20.88,-41.31,;20.09,-40.02,;20.82,-38.66,;20.02,-37.34,;20.93,-36.11,;22.47,-36.11,;20.03,-34.86,;18.57,-35.32,;17.24,-34.55,;17.25,-33.01,;15.92,-32.23,;15.9,-30.7,;14.58,-33,;13.35,-32.08,;13.37,-30.55,;11.91,-30.06,;11,-31.29,;9.46,-31.27,;11.88,-32.54,;15.89,-35.31,;15.89,-36.86,;14.55,-37.62,;17.22,-37.63,;18.56,-36.86,;22.36,-38.62,;23.1,-37.27,;23.16,-39.95,)|
COc1ccc(-c2c(C)nn3c(NC(C)Cc4noc(C)n4)cc(C)nc23)c(C)c1 |(24.48,-40.44,;22.94,-40.39,;22.2,-39.04,;20.66,-39,;19.93,-37.66,;20.73,-36.34,;19.99,-34.99,;20.87,-33.74,;22.41,-33.71,;19.94,-32.51,;18.49,-33,;17.15,-32.26,;17.12,-30.72,;15.77,-29.97,;15.72,-28.44,;14.41,-30.69,;13.19,-29.76,;13.22,-28.24,;11.77,-27.73,;10.84,-28.95,;9.31,-28.92,;11.72,-30.21,;15.81,-33.06,;15.85,-34.6,;14.53,-35.39,;17.2,-35.34,;18.52,-34.54,;22.27,-36.38,;23.07,-35.06,;23,-37.74,)|
CCC(Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C)c1nc(C)no1 |(16.27,-27.55,;17.6,-28.32,;17.6,-29.86,;18.94,-30.63,;18.94,-32.17,;17.6,-32.95,;17.6,-34.5,;16.27,-35.27,;18.94,-35.26,;20.27,-34.5,;21.74,-34.98,;22.65,-33.73,;24.19,-33.73,;21.74,-32.48,;20.27,-32.95,;22.5,-36.33,;21.7,-37.64,;22.46,-38.99,;24,-39.01,;24.79,-37.67,;24.03,-36.33,;24.81,-35.01,;24.76,-40.35,;23.9,-41.64,;26.29,-40.45,;16.34,-30.74,;14.89,-30.24,;13.96,-31.46,;12.42,-31.42,;14.83,-32.73,;16.31,-32.29,)|
CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC)c1nc(C)no1 |(13.38,-27.25,;14.71,-28.02,;14.71,-29.55,;16.04,-30.32,;16.04,-31.86,;14.7,-32.64,;14.7,-34.18,;13.37,-34.95,;16.04,-34.94,;17.37,-34.18,;18.83,-34.66,;19.74,-33.41,;21.28,-33.41,;18.83,-32.16,;17.37,-32.64,;19.55,-36.02,;18.73,-37.32,;19.45,-38.68,;20.99,-38.74,;21.72,-40.1,;20.9,-41.41,;21.81,-37.42,;21.09,-36.06,;21.9,-34.75,;23.43,-34.8,;13.46,-30.44,;12.01,-29.95,;11.09,-31.18,;9.56,-31.16,;11.98,-32.43,;13.44,-31.98,)|
COc1ccc(-c2c(C)nn3c(NC(C)c4nc(C)no4)cc(C)nc23)c(C)c1 |(24.98,-32.53,;23.44,-32.51,;22.69,-31.16,;21.15,-31.13,;20.4,-29.81,;21.19,-28.48,;20.43,-27.14,;21.39,-25.94,;22.92,-25.99,;20.53,-24.65,;19.05,-25.07,;17.75,-24.25,;17.81,-22.71,;16.5,-21.89,;16.55,-20.36,;15.25,-22.79,;13.79,-22.31,;12.88,-23.53,;11.34,-23.53,;13.77,-24.79,;15.25,-24.33,;16.37,-24.97,;16.32,-26.51,;14.96,-27.23,;17.63,-27.33,;18.99,-26.61,;22.73,-28.5,;23.51,-27.18,;23.48,-29.85,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(OC)cc1Cl
CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(OC)cc1C
CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(C)cc1OC
CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1c(C)cc(C)cc1OC |(-4.21,1.75,;-3.44,.42,;-1.9,.42,;-.99,-.82,;.48,-.34,;1.81,-1.1,;3.14,-.32,;3.14,1.22,;1.8,1.98,;.47,1.2,;-1,1.67,;-1.48,3.14,;-2.99,3.45,;-3.39,4.94,;-3,6.43,;-4.49,6.02,;-.45,4.29,;-.86,5.77,;-.47,7.26,;-1.95,6.86,;1.82,-2.64,;3.16,-3.4,;4.49,-2.63,;3.16,-4.94,;1.83,-5.72,;1.84,-7.26,;.5,-4.96,;.49,-3.42,;-.85,-2.65,;-2.18,-3.43,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1c(C)cc(OC)cc1C |(-4.21,2.14,;-3.44,.81,;-1.9,.81,;-.99,-.43,;.47,.05,;1.81,-.72,;3.14,.05,;3.13,1.59,;1.8,2.36,;.47,1.59,;-1,2.06,;-1.48,3.53,;-2.98,3.84,;-3.38,5.33,;-2.99,6.82,;-4.48,6.42,;-.45,4.67,;-.85,6.16,;-.45,7.65,;-1.94,7.25,;1.81,-2.26,;3.14,-3.03,;4.48,-2.25,;3.15,-4.57,;1.81,-5.34,;1.82,-6.88,;3.15,-7.65,;.48,-4.57,;.48,-3.03,;-.86,-2.26,)|
CCCN(CCC)c1c(CC)nn2c(cccc12)-c1ccc(OC)cc1Cl
CCCN(CCC)c1c(CC)nn2c(cccc12)-c1ccc(OC)cc1C
CCc1nn2c(cccc2c1N(CCOC)CC1CC1)-c1c(C)cc(C)cc1OC |(-4.74,1.26,;-3.99,-.08,;-2.45,-.09,;-1.55,-1.35,;-.08,-.88,;1.25,-1.66,;2.59,-.9,;2.6,.64,;1.27,1.42,;-.07,.66,;-1.53,1.15,;-1.99,2.61,;-.96,3.75,;-1.5,5.19,;-.52,6.38,;-1.06,7.82,;-3.5,2.95,;-4.04,4.39,;-5.23,5.37,;-3.79,5.91,;1.23,-3.2,;-.11,-3.96,;-1.43,-3.18,;-.12,-5.5,;1.21,-6.28,;1.2,-7.82,;2.55,-5.52,;2.56,-3.98,;3.9,-3.22,;5.23,-4,)|
CCc1nn2c(cccc2c1N(CCCF)CC1CC1)-c1c(C)cc(C)cc1OC |(-4.75,1.19,;-3.97,-.14,;-2.43,-.13,;-1.52,-1.37,;-.06,-.88,;1.28,-1.65,;2.61,-.87,;2.6,.67,;1.26,1.43,;-.07,.66,;-1.54,1.12,;-2.02,2.58,;-1,3.74,;-1.56,5.17,;-.59,6.37,;-1.16,7.81,;-3.53,2.9,;-4.09,4.33,;-5.29,5.29,;-3.86,5.85,;1.29,-3.19,;-.04,-3.96,;-1.38,-3.2,;-.03,-5.5,;1.3,-6.27,;1.31,-7.81,;2.63,-5.49,;2.62,-3.95,;3.95,-3.17,;5.29,-3.93,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOC1)-c1c(C)cc(C)cc1OC |(-4.51,-1.39,;-3.74,-.05,;-2.2,-.05,;-1.3,-1.28,;.17,-.81,;1.5,-1.58,;2.83,-.81,;2.83,.73,;1.5,1.5,;.17,.73,;-1.3,1.21,;-1.78,2.67,;-3.5,2.95,;-4.3,4.26,;-5.81,4.72,;-4.41,5.79,;-.69,3.76,;-1.09,5.25,;-2.52,5.8,;-2.44,7.34,;-.96,7.74,;-.12,6.44,;1.51,-3.12,;.17,-3.89,;-1.16,-3.12,;.17,-5.43,;1.51,-6.2,;1.51,-7.74,;2.84,-5.42,;2.85,-3.89,;4.18,-3.12,;5.51,-3.89,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCCO1)-c1c(C)cc(C)cc1OC |(-4.19,-1.4,;-3.42,-.06,;-1.88,-.05,;-.97,-1.29,;.49,-.81,;1.83,-1.57,;3.16,-.8,;3.15,.74,;1.81,1.51,;.48,.73,;-.98,1.2,;-1.47,2.66,;-2.98,2.97,;-4.3,2.19,;-5.07,.86,;-5.84,2.18,;-.44,3.81,;-1,5.24,;-2.49,5.64,;-2.58,7.17,;-1.15,7.73,;-.17,6.54,;1.84,-3.11,;.51,-3.89,;-.83,-3.13,;.52,-5.43,;1.86,-6.19,;1.86,-7.73,;3.19,-5.42,;3.18,-3.88,;4.51,-3.1,;5.84,-3.86,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(C)cc(C)cc1OC |(-4.15,-1.62,;-3.38,-.29,;-2.03,-.24,;-1.12,-1.48,;.34,-1,;1.68,-1.76,;3.01,-.99,;3,.55,;1.66,1.32,;.33,.54,;-1.13,1.01,;-1.62,2.47,;-3.13,2.78,;-4.21,1.69,;-5.69,1.28,;-4.6,.2,;-.59,3.62,;-1.15,5.05,;-.19,6.26,;-.75,7.69,;-2.27,7.92,;-3.23,6.72,;-2.67,5.29,;1.69,-3.3,;.36,-4.08,;-.98,-3.32,;.37,-5.62,;1.71,-6.38,;1.71,-7.92,;3.03,-5.61,;3.03,-4.07,;4.36,-3.29,;5.69,-4.05,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(C)cc1OC |(-4.48,1.41,;-3.7,.09,;-2.16,.1,;-1.25,-1.14,;.21,-.65,;1.55,-1.41,;2.88,-.63,;2.87,.91,;1.53,1.67,;.2,.89,;-1.27,1.35,;-1.75,2.81,;-.73,3.96,;.79,3.73,;2.22,4.3,;2,2.77,;-3.26,3.12,;-3.67,4.6,;-5.16,4.99,;-5.57,6.48,;-4.49,7.57,;-3,7.19,;-2.59,5.7,;1.57,-2.95,;2.91,-3.71,;4.23,-2.93,;5.57,-3.69,;2.92,-5.25,;1.59,-6.03,;1.6,-7.57,;.25,-5.27,;.24,-3.73,;-1.1,-2.97,;-2.43,-3.75,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(C)cc(OC)cc1OC |(-3.66,-1.15,;-2.89,.19,;-1.35,.17,;-.46,-1.08,;1.01,-.62,;2.34,-1.4,;3.68,-.64,;3.69,.9,;2.37,1.68,;1.03,.92,;-.44,1.41,;-.9,2.88,;-2.4,3.21,;-3.5,2.13,;-4.99,1.75,;-3.91,.65,;.14,4.01,;-.4,5.46,;.58,6.65,;.05,8.09,;-1.47,8.34,;-2.45,7.15,;-1.91,5.71,;2.32,-2.94,;3.65,-3.72,;4.99,-2.97,;3.64,-5.26,;2.3,-6.02,;2.28,-7.56,;3.61,-8.34,;.97,-5.24,;.98,-3.7,;-.34,-2.92,;-1.68,-3.67,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1cc(OC)c(OC)cc1OC
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(CO)cc1OC |(-4.48,1.82,;-3.71,.48,;-2.17,.49,;-1.26,-.76,;.2,-.28,;1.54,-1.05,;2.87,-.28,;2.87,1.26,;1.53,2.03,;.2,1.26,;-1.27,1.73,;-1.74,3.2,;-.71,4.34,;.81,4.1,;2.24,4.66,;2,3.14,;-3.25,3.52,;-3.65,5,;-5.14,5.4,;-5.54,6.89,;-4.45,7.98,;-2.96,7.58,;-2.56,6.09,;1.54,-2.59,;.2,-3.36,;-1.13,-2.59,;-2.46,-3.36,;.21,-4.9,;1.54,-5.67,;1.54,-7.21,;2.88,-7.98,;2.87,-4.9,;2.87,-3.36,;4.2,-2.59,;5.54,-3.35,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-4.48,2.67,;-3.74,1.32,;-2.2,1.29,;-1.32,.02,;.16,.47,;1.48,-.33,;2.82,.42,;2.86,1.96,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.3,5.36,;2.03,3.85,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.32,8.82,;-2.84,8.39,;-2.47,6.9,;1.44,-1.87,;2.76,-2.66,;4.11,-1.92,;5.43,-2.72,;2.73,-4.2,;1.38,-4.95,;1.35,-6.49,;2.67,-7.28,;2.64,-8.82,;.07,-4.15,;.1,-2.61,;-1.22,-1.81,;-2.57,-2.56,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(COC)cc(OC)cc1OC |(-5.15,1.89,;-4.41,.54,;-2.87,.51,;-1.99,-.75,;-.51,-.3,;.8,-1.1,;2.15,-.35,;2.18,1.19,;.86,1.98,;-.49,1.24,;-1.94,1.74,;-2.39,3.22,;-1.34,4.34,;.18,4.07,;1.63,4.6,;1.36,3.08,;-3.89,3.57,;-4.26,5.06,;-5.74,5.49,;-6.11,6.98,;-5,8.05,;-3.52,7.62,;-3.15,6.13,;.77,-2.64,;2.09,-3.43,;3.44,-2.69,;4.76,-3.48,;6.11,-2.74,;2.06,-4.97,;.72,-5.71,;.69,-7.25,;2.01,-8.05,;-.6,-4.92,;-.57,-3.38,;-1.89,-2.58,;-3.24,-3.33,)|
CCOCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(CC)nn12 |(4.24,-9.12,;2.9,-8.36,;2.9,-6.82,;1.56,-6.05,;1.56,-4.51,;2.89,-3.74,;2.88,-2.2,;4.21,-1.42,;5.55,-2.19,;1.55,-1.43,;.22,-2.21,;-1.12,-1.44,;-2.45,-2.21,;.22,-3.75,;1.54,.11,;2.87,.88,;2.87,2.42,;1.53,3.19,;.2,2.41,;-1.27,2.89,;-1.75,4.35,;-.72,5.5,;.8,5.26,;2.24,5.82,;2,4.3,;-3.25,4.66,;-3.66,6.15,;-5.15,6.54,;-5.55,8.03,;-4.47,9.12,;-2.98,8.73,;-2.57,7.24,;-2.17,1.64,;-3.71,1.63,;-4.48,2.96,;-1.26,.39,;.21,.87,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cccc1OC |(-4.48,.73,;-3.74,-.62,;-2.2,-.65,;-1.32,-1.92,;.15,-1.47,;1.47,-2.27,;2.82,-1.53,;2.85,.01,;1.54,.81,;.19,.07,;-1.27,.57,;-1.71,2.05,;-.65,3.17,;.86,2.9,;2.31,3.42,;2.04,1.9,;-3.21,2.4,;-3.57,3.9,;-5.05,4.33,;-5.42,5.83,;-4.3,6.89,;-2.83,6.46,;-2.46,4.96,;1.43,-3.81,;2.75,-4.61,;4.1,-3.87,;5.42,-4.67,;2.72,-6.15,;1.36,-6.89,;.05,-6.09,;.08,-4.55,;-1.23,-3.75,;-2.58,-4.49,)|
CCCN(CC1CCOCC1)c1c(CC)nn2c(cccc12)-c1c(OC)cc(C)cc1OC |(-3.23,6.87,;-4.32,5.78,;-3.92,4.3,;-2.41,3.98,;-1.07,5.46,;.45,5.22,;1,3.79,;2.52,3.54,;3.49,4.74,;2.94,6.18,;1.42,6.42,;-1.79,2.07,;-2.7,.83,;-4.24,.83,;-5.01,2.16,;-1.79,-.42,;-.33,.06,;1.01,-.71,;2.34,.06,;2.34,1.6,;1.01,2.37,;-.33,1.6,;1.01,-2.25,;2.34,-3.02,;3.67,-2.25,;5.01,-3.02,;2.34,-4.56,;1.01,-5.33,;1.01,-6.87,;-.33,-4.56,;-.33,-3.02,;-1.66,-2.25,;-2.99,-3.02,)|
CCCN(CC1CCOCC1)c1c(CC)nn2c(cccc12)-c1c(OC)cc(COC)cc1OC |(-3.07,8.08,;-4.18,7.02,;-3.82,5.52,;-2.32,5.17,;-.95,6.63,;.57,6.36,;1.09,4.91,;2.61,4.64,;3.6,5.81,;3.08,7.26,;1.56,7.53,;-1.74,3.26,;-2.67,2.03,;-4.21,2.06,;-4.95,3.41,;-1.79,.76,;-.32,1.21,;1,.41,;2.35,1.15,;2.38,2.69,;1.06,3.49,;-.28,2.75,;.97,-1.13,;2.28,-1.93,;3.63,-1.18,;4.95,-1.98,;2.25,-3.47,;.9,-4.21,;.87,-5.75,;2.19,-6.55,;2.16,-8.08,;-.41,-3.41,;-.38,-1.87,;-1.7,-1.07,;-3.05,-1.81,)|
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(OC)nn12 |(2.88,-8.75,;2.88,-7.21,;1.54,-6.44,;1.54,-4.9,;2.87,-4.13,;2.87,-2.59,;4.2,-1.82,;5.54,-2.59,;1.54,-1.82,;.2,-2.59,;-1.13,-1.82,;-2.46,-2.59,;.21,-4.13,;1.53,-.28,;2.87,.49,;2.87,2.03,;1.53,2.8,;.2,2.03,;-1.27,2.5,;-1.74,3.97,;-.71,5.11,;.81,4.87,;2.24,5.43,;2,3.91,;-3.25,4.29,;-3.65,5.77,;-5.14,6.17,;-5.54,7.66,;-4.45,8.75,;-2.96,8.35,;-2.56,6.86,;-2.17,1.26,;-3.71,1.26,;-4.48,2.59,;-1.26,.01,;.2,.49,)|
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(SC)nn12 |(2.74,-8.79,;2.75,-7.25,;1.43,-6.47,;1.45,-4.93,;2.79,-4.17,;2.81,-2.63,;4.15,-1.88,;5.47,-2.66,;1.48,-1.85,;.14,-2.6,;-1.18,-1.82,;-2.53,-2.57,;.12,-4.14,;1.5,-.31,;2.84,.45,;2.86,1.99,;1.53,2.77,;.19,2.02,;-1.27,2.51,;-1.73,3.98,;-.68,5.11,;.84,4.85,;2.28,5.39,;2.02,3.87,;-3.23,4.32,;-3.61,5.81,;-5.09,6.22,;-5.47,7.72,;-4.37,8.79,;-2.89,8.38,;-2.51,6.89,;-2.19,1.27,;-3.73,1.29,;-4.48,2.63,;-1.29,.02,;.18,.48,)|
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(C)nn12 |(2.97,-8.96,;2.99,-7.42,;1.67,-6.63,;1.7,-5.09,;3.04,-4.34,;3.06,-2.79,;4.4,-2.05,;5.73,-2.84,;1.74,-2.01,;.39,-2.76,;-.93,-1.97,;-2.28,-2.72,;.37,-4.3,;1.76,-.47,;3.1,.28,;3.13,1.82,;1.8,2.61,;.46,1.86,;-1,2.36,;-1.45,3.83,;-2.93,4.25,;-4.04,3.18,;-5.53,2.8,;-4.46,1.7,;-.41,4.96,;-.86,6.43,;.19,7.56,;-.27,9.03,;-1.77,9.37,;-2.82,8.24,;-2.36,6.77,;-1.92,1.12,;-3.46,1.15,;-1.03,-.13,;.44,.32,)|
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(nn12)C#N |(2.63,-8.83,;2.66,-7.29,;1.35,-6.49,;1.38,-4.95,;2.73,-4.21,;2.76,-2.67,;4.11,-1.92,;5.43,-2.72,;1.44,-1.87,;.09,-2.61,;-1.23,-1.81,;-2.57,-2.56,;.06,-4.15,;1.47,-.33,;2.82,.41,;2.85,1.95,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.31,5.36,;2.03,3.84,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.31,8.83,;-2.84,8.4,;-2.47,6.9,;-2.2,1.29,;-1.32,.02,;.16,.47,;-3.74,1.32,;-5.28,1.35,)|
COc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(C)cc1OC |(-4.48,1.44,;-3.71,.1,;-2.17,.1,;-1.27,-1.14,;.2,-.67,;1.53,-1.44,;2.87,-.67,;2.87,.87,;1.53,1.64,;.2,.87,;-1.27,1.35,;-1.74,2.81,;-.71,3.96,;.81,3.72,;2.25,4.27,;2.01,2.75,;-3.25,3.13,;-3.65,4.62,;-5.13,5.02,;-5.53,6.51,;-4.44,7.6,;-2.96,7.2,;-2.56,5.71,;1.53,-2.98,;2.86,-3.75,;4.2,-2.98,;5.53,-3.75,;2.86,-5.29,;1.53,-6.06,;1.53,-7.6,;.2,-5.29,;.2,-3.75,;-1.14,-2.98,;-2.47,-3.75,)|
COc1cc(C)cc(OC)c1-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(SC)nn12 |(5.46,-3.84,;4.14,-3.05,;2.8,-3.8,;2.78,-5.34,;1.43,-6.1,;1.41,-7.64,;.11,-5.31,;.13,-3.77,;-1.19,-2.98,;-2.54,-3.73,;1.47,-3.02,;1.49,-1.48,;2.84,-.72,;2.86,.82,;1.54,1.6,;.19,.85,;-1.27,1.35,;-1.72,2.82,;-.68,3.95,;.84,3.69,;2.29,4.22,;2.02,2.7,;-3.23,3.16,;-3.6,4.65,;-5.09,5.07,;-5.46,6.56,;-4.36,7.64,;-2.88,7.22,;-2.5,5.72,;-2.19,.11,;-3.73,.13,;-4.48,1.48,;-1.3,-1.15,;.17,-.69,)|
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CCOCC3)CC3(O)CC3)c(SC)nn12 |(3.02,-8.94,;3.01,-7.4,;1.67,-6.64,;1.66,-5.1,;2.99,-4.32,;2.98,-2.78,;4.31,-2,;5.64,-2.76,;1.64,-2.02,;.31,-2.8,;-1.03,-2.04,;-2.36,-2.82,;.32,-4.34,;1.63,-.48,;2.95,.3,;2.94,1.84,;1.6,2.6,;.28,1.82,;-1.19,2.28,;-1.83,4.18,;-3.33,4.49,;-3.74,5.97,;-5.23,6.36,;-5.64,7.85,;-4.56,8.94,;-3.07,8.56,;-2.66,7.07,;-.8,5.33,;.75,5.32,;1.52,6.66,;1,3.81,;2.18,4.79,;-2.09,1.03,;-3.63,1.02,;-4.41,2.34,;-1.17,-.21,;.29,.28,)|
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CCOCC3)CC3(CC3)C#N)c(SC)nn12 |(2.83,-9,;2.85,-7.46,;1.52,-6.68,;1.53,-5.14,;2.87,-4.38,;2.89,-2.84,;4.23,-2.09,;5.56,-2.87,;1.56,-2.06,;.22,-2.82,;-1.11,-2.04,;-2.45,-2.8,;.21,-4.36,;1.58,-.52,;2.92,.23,;2.93,1.77,;1.6,2.56,;.26,1.8,;-1.2,2.29,;-1.8,4.2,;-3.3,4.53,;-3.69,6.02,;-5.17,6.43,;-5.56,7.93,;-4.46,9,;-2.97,8.59,;-2.59,7.1,;-.76,5.33,;.8,5.32,;1.03,3.8,;2.24,4.77,;1.06,6.84,;1.31,8.36,;-2.11,1.05,;-3.65,1.06,;-4.41,2.41,;-1.22,-.2,;.25,.26,)|
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3COCCO3)c(SC)nn12 |(2.79,-8.78,;2.8,-7.24,;1.47,-6.46,;1.48,-4.92,;2.82,-4.16,;2.83,-2.62,;4.17,-1.86,;5.5,-2.64,;1.5,-1.84,;.16,-2.6,;-1.17,-1.82,;-2.5,-2.58,;.15,-4.14,;1.51,-.3,;2.85,.46,;2.86,2,;1.53,2.78,;.19,2.02,;-1.27,2.51,;-1.73,3.98,;-.69,5.11,;.83,4.86,;2.27,5.4,;2.02,3.88,;-3.24,4.31,;-3.62,5.8,;-2.53,6.88,;-2.92,8.37,;-4.4,8.78,;-5.5,7.7,;-5.11,6.21,;-2.18,1.27,;-3.72,1.28,;-4.48,2.62,;-1.28,.02,;.18,.48,)|
COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3OCCCO3)c(SC)nn12 |(2.87,-8.75,;2.87,-7.21,;1.53,-6.44,;1.53,-4.9,;2.87,-4.13,;2.87,-2.59,;4.2,-1.82,;5.53,-2.59,;1.53,-1.82,;.2,-2.59,;-1.13,-1.82,;-2.47,-2.59,;.2,-4.13,;1.53,-.28,;2.87,.49,;2.87,2.03,;1.53,2.8,;.2,2.03,;-1.27,2.5,;-1.74,3.97,;-.71,5.11,;.81,4.87,;2.25,5.42,;2.01,3.9,;-3.25,4.29,;-3.65,5.78,;-2.56,6.87,;-2.96,8.35,;-4.45,8.75,;-5.53,7.66,;-5.14,6.17,;-2.17,1.26,;-3.71,1.26,;-4.48,2.59,;-1.27,.01,;.2,.49,)|
COCCN(CC1CCOCC1)c1c(SC)nn2c(cccc12)-c1c(OC)cc(COC)cc1OC |(-3.55,8.8,;-3.16,7.31,;-4.26,6.23,;-3.88,4.74,;-2.37,4.4,;-1.02,5.88,;.5,5.63,;1.04,4.18,;2.56,3.93,;3.54,5.12,;3,6.56,;1.48,6.81,;-1.77,2.49,;-2.69,1.26,;-4.23,1.27,;-4.99,2.61,;-1.79,0,;-.32,.47,;1,-.32,;2.34,.44,;2.36,1.98,;1.03,2.76,;-.31,2.01,;.99,-1.86,;2.32,-2.64,;3.66,-1.88,;4.99,-2.66,;2.3,-4.18,;.96,-4.94,;.95,-6.48,;2.28,-7.26,;2.27,-8.8,;-.36,-4.15,;-.35,-2.61,;-1.68,-1.83,;-3.02,-2.59,)|
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(OC)cc1OC |(-4.48,1.81,;-3.71,.48,;-2.17,.49,;-1.26,-.76,;.2,-.28,;1.54,-1.05,;2.87,-.27,;2.87,1.27,;1.53,2.03,;.2,1.26,;-1.27,1.73,;-1.74,3.2,;-.72,4.34,;.8,4.11,;2.24,4.66,;2,3.14,;-3.25,3.51,;-3.65,5,;-5.14,5.4,;-5.54,6.88,;-4.46,7.97,;-2.97,7.58,;-2.57,6.09,;1.54,-2.59,;2.88,-3.35,;4.21,-2.58,;5.54,-3.35,;2.88,-4.89,;1.55,-5.67,;1.55,-7.21,;2.89,-7.97,;.21,-4.9,;.21,-3.36,;-1.13,-2.59,;-2.46,-3.37,)|
CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(N1CC1CC1)c23
CCCC(CCC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)nc1c23
CCCC(CCC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)cc1c23
CCCC(CCC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)nc1c23
CCC(COC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
CCC(CC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)nc1c23
CCC(COC)n1cc2CCN(c3ccc(OC)cc3C)c3nc(C)cc1c23
CCC(CC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)cc1c23
CCC(CC)n1cc2CCN(c3ccc(OC(F)(F)F)cc3C)c3nc(C)cc1c23
CCCC(CCC)N1CCC2CN(c3nc(C)nc1c23)c1ccc(Cl)cc1Cl
CCC(CC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
CCC(CC)n1cc2CCN(c3ccc(OC)c(F)c3)c3nc(C)cc1c23
CCCC(CCC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
CCCC(CCC)n1cc2CCN(c3ccc(OC)c(F)c3)c3nc(C)cc1c23
CCCC(CCC)n1cc2CCN(c3ccc(OC)cc3C)c3nc(C)cc1c23
CCC(CC)n1cc2CCN(c3ccc(OC)cc3C)c3nc(C)cc1c23
CCC(CC)n1cc2CCN(c3ccc(OC)cc3)c3nc(C)cc1c23
COc1cc(Cl)c(Nc2nc(Br)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1 |r|
COc1cc(Cl)c(Nc2nc(Cl)cn([C@@H](COCCF)C3CC3)c2=O)c(Cl)c1 |r|
COc1cc(C)c(Nc2nc(Cl)cn([C@@H](COCCF)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn(C(CCF)C3CC3)c2=O)c(OC)n1
COc1nc(C)c(Nc2nc(C)cn([C@@H](CF)C3CC3)c2=O)cc1C |r|
COc1cc(C)c(Nc2nc(C)cn([C@@H](CF)C3CC3)c2=O)cc1C |r|
COc1cc(C)c(Nc2nc(Cl)cn([C@@H](CF)C3CC3)c2=O)cc1C |r|
FCCOC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(F)c(cc2F)C#N)c1=O |r|
COc1cc2CCN(c2c(Cl)c1)c1nc(Cl)cn([C@@H](COCCF)C2CC2)c1=O |r|
FCCOC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O |r|
Cc1cc(cc(C)c1Nc1nc(Cl)cn([C@@H](COCCF)C2CC2)c1=O)C#N |r|
Cc1cc(cc(Cl)c1Nc1nc(Cl)cn([C@@H](COCCF)C2CC2)c1=O)C#N |r|
COc1nc(Cl)nc(C)c1Nc1nc(Br)cn([C@@H](COCCF)C2CC2)c1=O |r|
COc1nc(Cl)nc(C)c1Nc1nc(Cl)cn([C@@H](COCCF)C2CC2)c1=O |r|
COc1cc(Cl)c(Nc2nc(cn([C@@H](COCCF)C3CC3)c2=O)C#N)c(Cl)c1 |r|
CCC(C#N)c1ccc(Cl)c2nc3N(CCCn3c12)c1ccc(Cl)cc1Cl
CCN(CC)c1ccc(Cl)c2nc3N(CCCn3c12)c1ccc(Cl)cc1Cl
CCc1nc(C)nc(CC)c1N1CCCn2c1nc1c(Cl)ccc(C(OC(F)F)C(F)(F)F)c21
CCC(OC)c1ccc(Cl)c2nc3N(CCCn3c12)c1ccc(Cl)cc1Cl
COc1nc(C)c(N2CCCn3c2nc2c(Cl)ccc([C@@H](OC(F)F)C(F)(F)F)c32)c(C)n1 |r|
COc1nc(C)c(N2CCCn3c2nc2c(Cl)ccc(C(OC(F)F)C(F)(F)F)c32)c(C)n1
CCN(CC)c1cccc2nc3N(C(=O)CCn3c12)c1ccc(Cl)cc1Cl
CCN(CC)c1cccc2nc3C(OCCn3c12)c1ccc(Cl)cc1Cl
CCN(CC)c1cccc2nc(Nc3c(C)cc(Cl)cc3Cl)n(C)c12
CCCN(CCC)c1cccc2nc(Nc3c(C)cc(Cl)cc3Cl)n(C)c12
CCC(c1ccc(Cl)c2nc3N(CCCn3c12)c1ccc(Cl)cc1Cl)n1ccnc1
FC(F)OC(c1ccc(Cl)c2nc3N(CCCn3c12)c1ccc(Cl)cc1Cl)C(F)(F)F
COc1ccc(N2CCCn3c2nc2c(Cl)ccc(C(OC(F)F)C(F)(F)F)c32)c(C)c1
Cc1nc(C)c(N2CCCn3c2nc2c(Cl)ccc(C(OC(F)F)C(F)(F)F)c32)c(C)n1
CCc1nc(C)c(N2CCCn3c2nc2c(Cl)ccc(C(OC(F)F)C(F)(F)F)c32)c(C)n1
COc1nc(C)c(N2CCCn3c2nc2c(Cl)ccc([C@H](OC(F)F)C(F)(F)F)c32)c(C)n1 |r|
CCN(CC)c1cccc2nc3N(CCCn3c12)c1ccc(Cl)cc1Cl
CCN(O)c1ccc(Cl)c2nc3N(CCCn3c12)c1ccc(Cl)cc1Cl
COc1ccc(N2CCCn3c2nc2c(Cl)ccc(C(OC(F)F)C(F)(F)F)c32)c(C)n1
CCN(CC)c1cccc2nc3C(CCCn3c12)c1ccc(Cl)cc1Cl
CCC(=O)c1ccc(Cl)c2nc3N(CCCn3c12)c1ccc(Cl)cc1Cl
COc1nc(C)nc(OC)c1N1CCCn2c1nc1c(Cl)ccc(C(OC(F)F)C(F)(F)F)c21
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)c3cccnc3)C3CC3)c2=O)cc1C |r|
Cc1cc(Nc2nc(Cl)cn([C@H](COC(=O)Nc3ccccc3)C3CC3)c2=O)c(C)nc1OC(F)F |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)Nc3ccccc3Cl)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)Nc3ccccc3)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](CO)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)Nc3cccc(c3)C#N)C3CC3)c2=O)cc1C |r|
COc1ccc(NC(=O)OC[C@H](C2CC2)n2cc(Cl)nc(Nc3cc(C)c(OC)nc3C)c2=O)c(C)n1 |r|
CCCNC(=O)OC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O |r|
CCCCNC(=O)OC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3ccccn3)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3cc(ccn3)C#N)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3ccc(cn3)C#N)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3cc(Br)ccn3)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)c3ccncc3)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(C)=O)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)Nc3cc(Cl)cc(Cl)c3)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)Nc3ccc(Cl)cc3)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)c3ccccn3)C3CC3)c2=O)cc1C |r|
CCNC(=O)OC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3ccc(cn3)C(F)(F)F)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3cccnc3)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)c3ccccc3)C3CC3)c2=O)cc1C |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)Nc3cccnc3)C3CC3)c2=O)cc1C |r|
Cc1cc(Nc2nc(Cl)cn([C@H](COC(=O)Nc3cccnc3)C3CC3)c2=O)c(C)nc1OC(F)F |r|
COc1nc(C)c(Nc2nc(Cl)cn([C@H](COC(=O)Nc3ccc(Cl)cc3Cl)C3CC3)c2=O)cc1C |r|
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3cccc(c3)C#N)c2n1C
COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(CC(C)(C)C)c3ccc(Cl)cc3)c2n1C
COc1ccc(cc1)N(C(C)C)c1cccc2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(C(C)C)c3ccccc3)c2n1C
COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(CC3CCOC3)c3ccc(Cl)cc3)c2n1C
COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(C(C)=O)c3ccc(Cl)cc3)c2n1C
COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(C(C)C)c3ccc(Cl)cc3)c2n1C
COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(C(C)C)c3cccc(OC(C)C)c3)c2n1C
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3ccc(cc3)C#N)c2n1C
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3cccc(c3)C(N)=O)c2n1C
CNC(=O)c1cccc(c1)N(C(C)C)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12
COc1ccc(cn1)N(C(C)C)c1cccc2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(C(C)C)c3ccc(C)cn3)c2n1C
COc1cc(Cl)cc(C)c1Nc1nc2cccc(N(C(C)C)c3ccc(OC(C)C)cc3)c2n1C
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3ccc(cc3)S(C)(=O)=O)c2n1C
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3cccc(c3)C(C)(C)C(N)=O)c2n1C
COc1cccc(c1)N(C(C)C)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12
COCCN(c1ccc(Cl)cc1)c1cccc2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3cccc(c3)S(C)(=O)=O)c2n1C
COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C(C)C)c3cccc(c3)C(=O)N(C)C)c2n1C
CCN(CC)c1cc(C)nn2c(c(C)nc12)-c1sc2ccc(F)cc2c1C |(-.15,7.34,;-.15,5.8,;-1.48,5.03,;-2.82,5.8,;-4.15,5.03,;-1.48,3.49,;-2.82,2.72,;-2.82,1.17,;-4.15,.4,;-1.48,.41,;-.15,1.18,;1.31,.7,;2.22,1.95,;3.76,1.95,;1.31,3.19,;-.15,2.72,;1.71,-.79,;3.15,-1.34,;3.07,-2.88,;4.15,-3.96,;3.75,-5.45,;2.27,-5.85,;1.87,-7.34,;1.18,-4.77,;1.58,-3.27,;.74,-1.98,;-.8,-1.98,)|
CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc2ccc(F)cc2c1C |(-.15,7.34,;-.15,5.8,;-1.48,5.03,;-2.82,5.8,;-4.15,5.03,;-1.48,3.49,;-2.82,2.72,;-2.82,1.17,;-4.15,.4,;-1.48,.41,;-.15,1.18,;1.31,.7,;2.22,1.95,;3.76,1.95,;1.31,3.19,;-.15,2.72,;1.71,-.79,;3.15,-1.34,;3.07,-2.88,;4.15,-3.96,;3.75,-5.45,;2.27,-5.85,;1.87,-7.34,;1.18,-4.77,;1.58,-3.27,;.74,-1.98,;-.8,-1.98,)|