Compound Name

SMILES String

Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1

C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

C=CC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12 |r|

C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|

C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1

C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4OCCOCCOCCOc4c3)nc3[nH]cnc23)c1

C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)c3cccs3)cc12

C=CC(=O)Nc1cccc(c1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1

C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12

CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|

CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1

CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1

CC#CC(=O)N1CCC2(CC(C2)C2(CC=C(OC(C)C)C(N)=C2)NC(=O)c2cn[nH]c2)C1 |c:22,t:15,(9.7,.97,;8.29,.35,;6.88,-.28,;5.47,-.91,;5.31,-2.44,;4.23,,;4.23,1.54,;2.76,2.02,;1.86,.77,;.77,1.86,;-.32,.77,;.77,-.32,;-1.86,.77,;-1.59,-.75,;-2.77,-1.74,;-4.22,-1.21,;-5.4,-2.2,;-6.85,-1.67,;-8.02,-2.66,;-7.11,-.16,;-4.49,.31,;-5.93,.83,;-3.31,1.3,;-1.59,2.29,;-2.77,3.28,;-4.22,2.75,;-2.5,4.79,;-1.12,5.47,;-1.33,6.99,;-2.85,7.26,;-3.57,5.9,;2.76,-.48,)|

CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(Cl)ccn1 |r|

CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccccc1 |r|

CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cscn2)c2c(N)nccn12 |r|

CC#CC(=O)N1CCC[C@H]1n1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)ncnc12 |r|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3ccn(Cc4cccc(c4)C(F)(F)F)n3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(C)c4)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.76,-4.69,;1.28,-5.08,;-.21,-5.48,;-1.7,-5.88,;-2.1,-7.37,;-2.79,-4.79,;-4.33,-4.79,;-4.8,-3.33,;-3.56,-2.42,;-2.47,-1.33,;-3.56,-.24,;-4.65,-1.33,;-3.56,1.3,;-2.31,2.2,;-2.79,3.67,;-2.02,5,;-.48,5,;-0,6.46,;1.49,6.86,;2.57,5.77,;2.18,4.29,;3.26,3.2,;4.75,3.6,;5.15,5.08,;6.64,5.48,;4.06,6.17,;-1.25,7.37,;-2.49,6.46,;-3.83,7.23,;-4.33,3.67,;-5.1,5,;-6.64,5,;-4.33,6.33,;-4.8,2.2,;-6.14,1.43,;-2.31,-3.33,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(c4)C(F)(F)F)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-1.02,5.04,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.79,7.41,;-3.04,6.51,;-4.37,7.28,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(F)ccc4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;3.61,1.61,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.92,;1.7,-7.32,;.21,-7.71,;-1.28,-8.11,;-1.67,-9.6,;-2.36,-7.02,;-3.9,-7.02,;-4.38,-5.56,;-3.13,-4.65,;-2.05,-3.56,;-3.13,-2.48,;-4.22,-3.56,;-3.13,-.94,;-1.89,-.03,;-2.36,1.43,;-1.59,2.77,;-.05,2.77,;.42,4.23,;-.82,5.14,;-.43,6.62,;1.06,7.02,;2.15,5.93,;3.64,6.33,;4.04,7.82,;2.95,8.91,;1.46,8.51,;.37,9.6,;4.73,5.24,;4.33,3.76,;6.21,5.64,;5.82,4.16,;-2.07,4.23,;-3.9,1.43,;-4.67,2.77,;-3.9,4.1,;-6.21,2.77,;-4.38,-.03,;-5.71,-.8,;-1.89,-5.56,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;3.52,6.17,;4.61,5.08,;4.21,3.6,;2.72,3.2,;1.63,4.29,;.14,3.89,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(Cl)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;5.52,8.56,;3.64,6.68,;2.15,6.28,;4.73,5.59,;6.21,5.99,;5.82,4.5,;4.33,4.1,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;1.63,4.29,;2.72,3.2,;4.21,3.6,;5.3,2.51,;4.61,5.08,;3.52,6.17,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)cc4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3,-6.08,;1.46,-6.08,;-.08,-6.08,;-1.62,-6.08,;-2.39,-7.41,;-2.39,-4.75,;-3.93,-4.75,;-4.41,-3.28,;-3.16,-2.38,;-2.07,-1.29,;-3.16,-.2,;-4.25,-1.29,;-3.16,1.34,;-1.91,2.25,;-2.39,3.71,;-1.62,5.04,;-2.1,6.51,;-.85,7.41,;.4,6.51,;1.88,6.91,;2.97,5.82,;2.57,4.33,;3.66,3.24,;5.15,3.64,;6.24,2.55,;5.55,5.13,;4.46,6.22,;-.08,5.04,;-3.93,3.71,;-4.7,5.04,;-3.93,6.38,;-6.24,5.04,;-4.41,2.25,;-5.74,1.48,;-1.91,-3.28,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(Cl)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.97,;1.06,-6.97,;-.48,-6.97,;-2.02,-6.97,;-2.79,-8.3,;-2.79,-5.64,;-4.33,-5.64,;-4.8,-4.17,;-3.56,-3.27,;-2.47,-2.18,;-3.56,-1.09,;-4.65,-2.18,;-3.56,.45,;-2.31,1.36,;-2.79,2.82,;-2.02,4.16,;-2.49,5.62,;-1.25,6.53,;-0,5.62,;1.49,6.02,;2.57,4.93,;2.18,3.44,;3.26,2.35,;4.75,2.75,;5.15,4.24,;6.64,4.64,;4.06,5.33,;4.46,6.82,;5.95,7.21,;3.37,7.9,;4.86,8.3,;-.48,4.16,;-4.33,2.82,;-5.1,4.16,;-4.33,5.49,;-6.64,4.16,;-4.8,1.36,;-6.14,.59,;-2.31,-4.17,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.87,-8.75,;-4.1,-7.41,;-3.33,-6.08,;-2.56,-4.75,;-1.02,-4.75,;-3.33,-3.41,;-4.87,-3.41,;-5.35,-1.95,;-4.1,-1.04,;-3.01,.05,;-4.1,1.13,;-5.19,.05,;-4.1,2.67,;-2.86,3.58,;-3.33,5.04,;-2.56,6.38,;-3.04,7.84,;-1.79,8.75,;-.55,7.84,;.94,8.24,;2.03,7.15,;1.63,5.66,;2.72,4.58,;4.21,4.97,;4.61,6.46,;3.52,7.55,;6.09,6.86,;6.49,8.35,;7.18,5.77,;-1.02,6.38,;-4.87,5.04,;-5.64,6.38,;-7.18,6.38,;-4.87,7.71,;-5.35,3.58,;-6.68,2.81,;-2.86,-1.95,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C4CC4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(1.86,-6.08,;.32,-6.08,;-1.22,-6.08,;-2.76,-6.08,;-3.53,-7.41,;-3.53,-4.75,;-5.07,-4.75,;-5.55,-3.28,;-4.3,-2.38,;-3.21,-1.29,;-4.3,-.2,;-5.39,-1.29,;-4.3,1.34,;-3.06,2.25,;-3.53,3.71,;-2.76,5.04,;-3.24,6.51,;-1.99,7.41,;-.75,6.51,;.74,6.91,;1.83,5.82,;1.43,4.33,;2.52,3.24,;4.01,3.64,;4.41,5.13,;3.32,6.22,;5.89,5.53,;7.38,5.13,;6.98,6.62,;-1.22,5.04,;-5.07,3.71,;-5.84,5.04,;-7.38,5.04,;-5.07,6.38,;-5.55,2.25,;-6.88,1.48,;-3.06,-3.28,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C#N)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(4.54,-9.55,;3,-9.55,;1.46,-9.55,;-.08,-9.55,;-.85,-10.88,;-.85,-8.21,;-2.39,-8.21,;-2.86,-6.75,;-1.62,-5.84,;-.53,-4.75,;-1.62,-3.66,;-2.7,-4.75,;-1.62,-2.12,;-.37,-1.22,;-.85,.25,;-.08,1.58,;1.46,1.58,;1.94,3.04,;.69,3.95,;.69,5.49,;2.03,6.26,;3.36,5.49,;4.7,6.26,;4.7,7.8,;3.36,8.57,;2.03,7.8,;.69,8.57,;-.64,9.34,;3.36,10.11,;4.7,10.88,;2.03,10.88,;4.7,9.34,;-.55,3.04,;-2.39,.25,;-3.16,1.58,;-4.7,1.58,;-2.39,2.91,;-2.86,-1.22,;-4.2,-1.99,;-.37,-6.75,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.83,;.73,-5.23,;-.76,-5.63,;-2.24,-6.03,;-2.64,-7.51,;-3.33,-4.94,;-4.87,-4.94,;-5.35,-3.47,;-4.1,-2.57,;-3.01,-1.48,;-4.1,-.39,;-5.19,-1.48,;-4.1,1.15,;-2.86,2.06,;-3.33,3.52,;-2.56,4.85,;-3.04,6.32,;-1.79,7.22,;-.55,6.32,;.94,6.72,;2.03,5.63,;1.63,4.14,;2.72,3.05,;4.21,3.45,;4.61,4.94,;3.52,6.03,;3.92,7.51,;6.09,5.34,;7.18,4.25,;6.09,3.8,;6.49,6.82,;-1.02,4.85,;-4.87,3.52,;-5.64,4.85,;-7.18,4.85,;-4.87,6.19,;-5.35,2.06,;-6.68,1.29,;-2.86,-3.47,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(n4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-8.75,;-2.81,-7.41,;-2.04,-6.08,;-1.27,-4.75,;.27,-4.75,;-2.04,-3.41,;-3.58,-3.41,;-4.06,-1.95,;-2.81,-1.04,;-1.73,.05,;-2.81,1.13,;-3.9,.05,;-2.81,2.67,;-1.57,3.58,;-2.04,5.04,;-1.27,6.38,;-1.75,7.84,;-.5,8.75,;.74,7.84,;2.23,8.24,;3.32,7.15,;2.92,5.66,;4.01,4.58,;5.5,4.97,;5.89,6.46,;4.81,7.55,;.27,6.38,;-3.58,5.04,;-4.35,6.38,;-5.89,6.38,;-3.58,7.71,;-4.06,3.58,;-5.39,2.81,;-1.57,-1.95,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C#N)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-9.64,;-2.81,-8.3,;-2.04,-6.97,;-1.27,-5.64,;.27,-5.64,;-2.04,-4.3,;-3.58,-4.3,;-4.06,-2.84,;-2.81,-1.93,;-1.73,-.84,;-2.81,.25,;-3.9,-.84,;-2.81,1.79,;-1.57,2.69,;-2.04,4.16,;-1.27,5.49,;-1.75,6.95,;-.5,7.86,;.74,6.95,;2.23,7.35,;3.32,6.26,;2.92,4.78,;4.01,3.69,;5.5,4.09,;5.89,5.57,;4.81,6.66,;5.2,8.15,;5.6,9.64,;.27,5.49,;-3.58,4.16,;-4.35,5.49,;-5.89,5.49,;-3.58,6.82,;-4.06,2.69,;-5.39,1.92,;-1.57,-2.84,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.95,-6.97,;1.41,-6.97,;-.13,-6.97,;-1.67,-6.97,;-2.44,-8.3,;-2.44,-5.64,;-3.98,-5.64,;-4.46,-4.17,;-3.21,-3.27,;-2.12,-2.18,;-3.21,-1.09,;-4.3,-2.18,;-3.21,.45,;-1.97,1.36,;-2.44,2.82,;-1.67,4.16,;-2.15,5.62,;-.9,6.53,;.34,5.62,;1.83,6.02,;2.92,4.93,;2.52,3.44,;3.61,2.35,;5.1,2.75,;5.5,4.24,;4.41,5.33,;4.81,6.82,;3.72,7.9,;5.2,8.3,;6.29,7.21,;-.13,4.16,;-3.98,2.82,;-4.75,4.16,;-3.98,5.49,;-6.29,4.16,;-4.46,1.36,;-5.79,.59,;-1.97,-4.17,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(c3)[C@H](C)c3cccc(c3)C(F)(F)F)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,20.22,(2.06,-6.57,;.52,-6.57,;-1.02,-6.57,;-2.56,-6.57,;-3.33,-7.9,;-3.33,-5.24,;-4.87,-5.24,;-5.35,-3.77,;-4.1,-2.87,;-3.01,-1.78,;-4.1,-.69,;-5.19,-1.78,;-4.1,.85,;-2.86,1.76,;-3.33,3.22,;-2.56,4.55,;-3.04,6.02,;-1.79,6.92,;-.55,6.02,;-1.02,4.55,;.94,6.42,;1.34,7.9,;2.03,5.33,;1.63,3.84,;2.72,2.75,;4.21,3.15,;4.61,4.64,;3.52,5.73,;6.09,5.04,;7.18,3.95,;6.09,3.5,;6.49,6.52,;-4.87,3.22,;-5.64,4.55,;-4.87,5.89,;-7.18,4.55,;-5.35,1.76,;-6.68,.99,;-2.86,-3.77,)|

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2c(C)nn(Cc3cccc(c3)C(F)(F)F)c2C)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.56,5.04,;-3.04,6.51,;-4.37,7.28,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-.25,3.71,;-2.86,-3.28,)|

CC#CC(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|

CC#CC(=O)NCCCC(=O)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|

CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|

CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCN1CCOCC1

CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)|

CC(=O)c1cnc(Nc2ccc(OCCO)nc2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1

CC(=O)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1

CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O

CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1

CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1

CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12

CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1

CC(C)(\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r|

CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

CC(C)CC1=NC[C@H](C(C)=C1)n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,c:9,t:4|

CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1

CC(C)C[C@H](N)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O |r|

CC(C)Cc1nc2cc3n(CCCN4CCCCC4)c(NC(=O)c4ccc(cc4)-c4ccncc4)nc3cc2[nH]c1=O

CC(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O |r,wU:6.9,wD:3.2,(66.11,-20.74,;64.78,-21.51,;64.78,-23.04,;63.45,-20.74,;63.46,-19.2,;62.12,-18.42,;60.8,-19.2,;60.8,-20.73,;62.12,-21.5,;59.47,-18.44,;59.47,-16.89,;58.14,-19.21,;56.8,-18.44,;56.79,-16.89,;55.45,-16.12,;54.12,-16.89,;52.78,-16.12,;54.12,-18.44,;55.46,-19.21,;52.78,-19.21,;51.45,-18.43,;50.13,-19.2,;48.81,-18.42,;47.47,-19.17,;47.46,-20.72,;46.12,-21.49,;46.11,-23.03,;44.77,-23.78,;44.76,-25.32,;46.09,-26.11,;46.08,-27.65,;47.44,-25.33,;48.77,-26.11,;50.11,-25.33,;50.11,-23.79,;51.44,-26.11,;51.42,-27.65,;47.44,-23.79,;48.79,-21.49,;50.12,-20.73,;51.45,-21.51,;51.44,-23.06,;52.79,-20.74,;54.13,-21.52,)|

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|

CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12

CC1(C)OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

CCC(=O)N1CCC[C@H](C1)Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12 |r|

CCC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3C)c(NC)n2)ccc1C

CCC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c(NC)n2)ccc1C

CCC(=O)Nc1cccc(Nc2nc(Nc3ccc4OCCOCCOCCOc4c3)nc3[nH]cnc23)c1

CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc3OCCOCCOCCOc3c2)nc2[nH]cnc12

CCC1(OCCCOc2ccc(Nc3ncc(F)c(N[C@@H]4CCCN(C4)C(=O)C=C)n3)cc2)OCC(C)(C)CO1 |r|

CCC1(OCCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)OCC(C)(C)CO1

CCC1(OCCCOc2ccc(Nc3ncc(F)c(Nc4ccccc4NC(=O)C=C)n3)cc2)OCC(C)(C)CO1

CCCC[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O |r,wU:7.10,wD:4.3,(45.47,-34.26,;44.14,-35.03,;42.81,-34.25,;41.48,-35.02,;40.16,-34.25,;40.16,-32.71,;38.83,-31.94,;37.51,-32.72,;37.5,-34.25,;38.82,-35.01,;36.17,-31.95,;36.17,-30.41,;34.84,-32.72,;33.5,-31.95,;33.49,-30.4,;32.16,-29.63,;30.82,-30.41,;29.49,-29.63,;30.82,-31.95,;32.16,-32.72,;29.48,-32.72,;28.15,-31.94,;26.83,-32.71,;25.51,-31.93,;24.17,-32.69,;24.16,-34.23,;22.82,-35,;22.81,-36.54,;21.47,-37.29,;21.46,-38.84,;22.79,-39.62,;22.79,-41.16,;24.14,-38.84,;25.47,-39.62,;26.81,-38.85,;26.82,-37.31,;28.14,-39.63,;28.12,-41.17,;24.14,-37.3,;25.49,-35.01,;26.82,-34.25,;28.15,-35.03,;28.14,-36.57,;29.49,-34.26,;30.83,-35.03,)|

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

CCC[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O |r,wU:6.9,wD:3.2,(44.68,-21.85,;43.35,-21.07,;42.02,-21.84,;40.69,-21.07,;40.69,-19.53,;39.36,-18.76,;38.04,-19.54,;38.04,-21.07,;39.36,-21.83,;36.71,-18.77,;36.71,-17.23,;35.37,-19.54,;34.04,-18.77,;34.03,-17.22,;32.69,-16.45,;31.36,-17.23,;30.02,-16.45,;31.36,-18.77,;32.69,-19.54,;30.02,-19.54,;28.69,-18.76,;27.37,-19.53,;26.05,-18.75,;24.71,-19.51,;24.7,-21.05,;23.36,-21.82,;23.35,-23.36,;22,-24.11,;21.99,-25.66,;23.33,-26.44,;23.32,-27.98,;24.67,-25.66,;26.01,-26.44,;27.35,-25.67,;27.35,-24.13,;28.68,-26.45,;28.66,-27.99,;24.68,-24.12,;26.02,-21.83,;27.35,-21.07,;28.68,-21.85,;28.68,-23.39,;30.03,-21.08,;31.37,-21.85,)|

CCN(CC)CCCC(C)Nc1nc(\C=C\c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc12

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1

CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1

CCOc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:25.26,wD:22.22,(34.44,-4.96,;33.51,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|

CCc1ccnc(NC(=O)c2ccc(Oc3ccnc4ccc(NC(=O)C=C)cc34)cc2)c1

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12

CN(C(=O)C1CCCCC1)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1

CN(C(=O)Cc1c[nH]c2ncnc(-c3cc(F)cc(NC(=O)c4ccc(cc4)C4CC4)c3C)c12)C(=O)C=C

CN(C)C(=O)c1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1 |r,wU:16.15,19.19,(85.12,-20.14,;83.79,-20.91,;83.79,-22.45,;82.45,-20.15,;82.45,-18.61,;81.12,-20.92,;81.12,-22.46,;79.79,-23.23,;78.46,-22.46,;77.13,-23.24,;75.79,-22.47,;74.46,-23.24,;73.12,-22.47,;73.12,-20.92,;74.45,-20.15,;74.45,-18.61,;75.78,-17.84,;77.11,-18.61,;78.44,-17.84,;78.44,-16.3,;79.78,-15.53,;77.11,-15.53,;75.77,-16.3,;75.79,-20.92,;71.79,-20.15,;71.79,-18.61,;70.46,-20.93,;70.45,-19.38,;78.45,-20.93,;79.78,-20.15,)|

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21

CN(C)C\C=C\C(=O)Nc1cc(ccc1C)-n1c2c(ccc3ccc(cc23)-c2cnn(C)c2)ccc1=O

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1

CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1

CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCNc1ncnc2[nH]ccc12

CN(C)c1ccc(cc1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1

CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1

CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C

CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)c1c(F)c(F)c(F)c(F)c1S(C)(=O)=O

CN(C\C=C\CN1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1)CC#C

CN(Cc1c[nH]c2ncnc(-c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)c12)C(=O)C=C

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)ccc1C |r|

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)[C@@H](N)Cc2cc3ccccc3[nH]2)ccc1C |r|

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)[C@@H](N)Cc2ccccc2)ccc1C |r|

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)[C@H]2CC[C@@H](CC2)C(F)(F)F)ccc1C |r,wU:31.33,wD:34.40,(73.75,-22.65,;73.76,-21.11,;75.1,-20.34,;76.44,-21.11,;75.1,-18.8,;73.77,-18.02,;72.45,-18.79,;71.13,-18.01,;69.79,-18.77,;69.78,-20.31,;68.44,-21.08,;68.43,-22.62,;67.08,-23.37,;67.07,-24.91,;68.41,-25.7,;68.4,-27.24,;69.75,-24.92,;71.09,-25.7,;72.43,-24.92,;72.43,-23.38,;73.75,-25.7,;73.73,-27.24,;69.76,-23.38,;71.1,-21.09,;72.43,-20.33,;76.43,-18.03,;77.77,-18.8,;79.11,-18.03,;80.45,-18.8,;81.78,-18.03,;81.78,-16.49,;83.11,-18.79,;84.43,-18.02,;85.76,-18.79,;85.76,-20.33,;84.43,-21.09,;83.11,-20.33,;87.09,-21.1,;88.42,-20.33,;87.08,-22.63,;88.41,-21.86,;79.1,-16.48,;77.77,-15.71,;76.43,-16.49,;75.1,-15.71,)|

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2c(C)cccc2F)ccc1C

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2cc(C)ccc2F)ccc1C

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1C

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)ccc1C

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2ccc3CCCCc3c2)ccc1C

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2ccc3OCOc3c2)ccc1C

CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12

CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O

CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O

CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4cc(c[nH]4)C(O)=O)C(=O)Nc3c2)c1

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1

CN1CCN(CC1)c1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C(=O)OC(C)(C)C)c4ncnc(N)c34)cc2C(F)(F)F)CC1

CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCN(CC4)C(=O)C=C)c4ncnc(N)c34)cc2C(F)(F)F)CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

CN1CCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc12

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3C)cc2C1

CNC(=O)Nc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(C)c(NC(=O)C=C)c4)c3c2c1

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1

CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1

CNC(=O)c1ccc(c(F)c1)-c1ccc2ncc3ccc(=O)n(-c4ccc(C)c(NC(=O)C=C)c4)c3c2c1

CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

CNc1c(C(N)=O)c(nn1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC)-c1cnn(Cc2cccc(Cl)c2)c1 |r,wU:10.10,wD:12.13,(-5.84,1,;-4.75,-.08,;-3.27,.31,;-2.79,1.78,;-3.56,3.11,;-2.79,4.45,;-5.1,3.11,;-1.25,1.78,;-.77,.31,;-2.02,-.59,;-2.02,-2.13,;-.93,-3.22,;-2.02,-4.31,;-3.11,-3.22,;-3.27,-5.21,;-2.79,-6.68,;-1.25,-6.68,;-.77,-5.21,;-.16,-7.77,;-.56,-9.25,;1.33,-7.37,;2.81,-6.97,;4.3,-6.57,;-.48,3.11,;1.06,3.11,;1.54,4.58,;.29,5.48,;.69,6.97,;2.18,7.37,;2.58,8.86,;4.06,9.25,;5.15,8.17,;4.75,6.68,;5.84,5.59,;3.27,6.28,;-.96,4.58,)|

CNc1c(C(N)=O)c(nn1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 |r,wU:10.10,wD:12.13,(-7.21,.36,;-6.81,1.85,;-5.32,2.25,;-4.85,3.71,;-5.62,5.04,;-4.85,6.38,;-7.16,5.04,;-3.31,3.71,;-2.83,2.25,;-4.08,1.34,;-4.08,-.2,;-2.99,-1.29,;-4.08,-2.38,;-5.17,-1.29,;-5.32,-3.28,;-4.85,-4.75,;-3.31,-4.75,;-2.83,-3.28,;-2.54,-6.08,;-3.31,-7.41,;-1,-6.08,;.54,-6.08,;2.08,-6.08,;-2.54,5.04,;-3.01,6.51,;-1.77,7.41,;-.52,6.51,;.97,6.91,;2.06,5.82,;1.66,4.33,;2.75,3.24,;4.23,3.64,;4.63,5.13,;3.54,6.22,;6.12,5.53,;7.21,4.44,;6.12,3.99,;6.52,7.01,;-1,5.04,)|

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(C)ccc2F)ccc1C

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1C

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2ccc(OC)c(OC)c2)ccc1C

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2ccc(OC)cc2)ccc1C

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2ccc3OCOc3c2)ccc1C

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(OC)c2)ccc1C

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2ccccc2OC)ccc1C

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cc(OC)c(OC)c(OC)c1

CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F

CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCN3CCN(CC3)C(=O)C=C)c2n1 |(-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-5.33,3.08,;-4,3.85,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,6.16,;2.67,6.16,;2.67,7.7,;1.33,8.47,;4,5.39,;4,3.85,;5.33,3.08,;6.67,3.85,;2.67,3.08,;2.67,1.54,;,1.54,;1.33,.77,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;1.33,-5.39,;2.67,-6.16,;4,-5.39,;4,-3.85,;2.67,-3.08,;5.33,-6.16,;6.67,-5.39,;5.33,-7.7,;6.67,-8.47,;-2.67,1.54,;-4,.77,)|

COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

COC1CSSC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

COCCOc1ccc(Nc2ncc(C3CC3)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1

COCCOc1ccc(Nc2ncc(F)c(NCCCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3CF)n2)cc1

COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(OCc4c(F)c(F)c(F)c(F)c4S(C)(=O)=O)cc3)n2)cc1

COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1

COC\C=C\C(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|

COC\C=C\C(=O)N[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12 |r|

COC\C=C\C(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

COc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O

COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc(OC)c1OC

COc1cc(OC)cc(c1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O

COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|

COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|

COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|

COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|

COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|

COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|

COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|

COc1cc(ccc1C(=O)Nc1nccs1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CCCN1CCOCC1

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

COc1ccc(C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)c(NC(=O)C=C)c4)nc3N(C)C2=O)c(OC)c1

COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OC

COc1ccc(OC)c(c1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O

COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(CC2)C(=O)C#C)cc1

COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CN(C2)C(=O)C#C)cc1

COc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O

COc1ccc(cc1Cn1cc(cn1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O)C(F)(F)F |r,wU:17.18,wD:19.21,(-1.12,9.2,;.37,9.6,;1.46,8.51,;2.95,8.91,;4.04,7.82,;3.64,6.33,;2.15,5.93,;1.06,7.02,;-.43,6.62,;-.82,5.14,;-2.07,4.23,;-1.59,2.77,;-.05,2.77,;.42,4.23,;-2.36,1.43,;-1.89,-.03,;-3.13,-.94,;-3.13,-2.48,;-2.05,-3.56,;-3.13,-4.65,;-4.22,-3.56,;-4.38,-5.56,;-3.9,-7.02,;-2.36,-7.02,;-1.89,-5.56,;-1.28,-8.11,;-1.67,-9.6,;.21,-7.71,;1.7,-7.32,;3.19,-6.92,;-4.38,-.03,;-5.71,-.8,;-3.9,1.43,;-4.67,2.77,;-3.9,4.1,;-6.21,2.77,;4.73,5.24,;4.33,3.76,;6.21,5.64,;5.82,4.16,)|

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12

COc1ccc(cc1OC)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O

COc1ccccc1C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O

COc1ccccc1Oc1ccc(cc1)-c1[nH]c2c(cnn2c1C(N)=O)C1CCN(C1)C(=O)C#C

COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n(N)c2C(N)=O)c1 |r|

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1CNCCNc1ncnc2[nH]ccc12

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

C[C@@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r|

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O

C[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O |r,wU:4.7,wD:1.0,(19.76,-34.99,;18.43,-34.22,;18.43,-32.68,;17.1,-31.91,;15.78,-32.68,;15.78,-34.22,;17.1,-34.98,;14.45,-31.92,;14.45,-30.38,;13.12,-32.69,;11.78,-31.92,;11.78,-30.37,;10.44,-29.6,;9.11,-30.38,;7.77,-29.61,;9.1,-31.93,;10.44,-32.69,;7.77,-32.69,;6.44,-31.91,;5.12,-32.68,;3.8,-31.9,;2.46,-32.66,;2.45,-34.2,;1.11,-34.97,;1.1,-36.51,;-.25,-37.26,;-.26,-38.8,;1.08,-39.58,;1.08,-41.12,;2.43,-38.81,;3.76,-39.58,;5.1,-38.81,;5.1,-37.27,;6.43,-39.59,;6.41,-41.13,;2.43,-37.27,;3.78,-34.97,;5.11,-34.22,;6.43,-35,;6.43,-36.54,;7.78,-34.23,;9.11,-35,)|

C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|

C[S@](=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c2c1C)C(N)=O

Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c2c1C)C(N)=O

Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O

Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1

Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1

Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1

Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,8.9,;1.7,8.13,;.37,8.9,;-.97,8.13,;-.97,6.59,;.37,5.82,;1.7,6.59,;3.03,5.82,;3.03,4.28,;1.7,3.51,;4.37,3.51,;5.7,4.28,;7.03,3.51,;7.03,1.97,;8.37,4.28,;8.37,5.82,;7.03,6.59,;5.7,5.82,;4.37,6.59,;4.37,8.13,;.37,10.44,;1.7,11.21,;3.03,10.44,;1.7,12.75,;.37,13.52,;.37,15.06,;1.7,15.83,;-.97,15.83,;-.97,12.75,;-2.43,13.22,;-3.34,11.98,;-4.87,11.82,;-5.49,10.41,;-4.59,9.16,;-3.06,9.32,;-2.43,10.73,;-.97,11.21,;-7.03,10.41,;-6.64,8.92,;-8.37,9.64,;-7.8,11.74,)|

Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O

Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O

Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1,4.5,;-2.28,3.77,;-3.62,4.54,;-4.95,3.77,;-6.28,4.54,;-7.62,3.77,;-8.95,4.54,;-10.28,3.77,;-10.28,2.23,;-8.95,1.46,;-7.62,2.23,;-4.95,2.23,;-3.62,1.46,;-2.28,2.23,;-.95,1.46,;-.95,-.08,;-2.28,-.85,;-2.28,-2.39,;-.95,-3.16,;.39,-2.39,;1.85,-2.87,;2.76,-1.62,;4.29,-1.65,;5.09,-.33,;5.04,-3,;6.58,-3,;7.49,-1.75,;8.95,-2.23,;8.95,-3.77,;7.49,-4.24,;10.28,-4.54,;10.28,-6.08,;11.62,-3.77,;11.62,-2.23,;1.72,-.08,;1.72,1.46,;.39,2.23,;.39,3.77,;.39,-.85,)|

Cc1cc2[nH]ncc2cc1-c1cccc2c(N)c(nnc12)C(N)=O

Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1

Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CNC(=O)C=C)c2)nc1

Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1ccc(Cl)cc1Cl

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(\C=C\c3ccccc3)cc21

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(COc2cccc(c2)C(F)(F)F)cc1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(N)nc1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(cc1)C(N)=O

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCCOc2c1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccccc1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cccnc1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccoc1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccsc1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1

Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C

Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1

Cc1cnc(Nc2cccc(OCCCNC(=O)OC(C)(C)C)c2)nc1Nc1cccc(NC(=O)C=C)c1

Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1ccc2CN(CCc2c1)C(=O)C=C

Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1cccc(NC(=O)C=C)c1

Cc1cnc(Nc2ccccc2)nc1NC1CCCN(C1)C(=O)C=C

Cc1cnc(Nc2ccccc2)nc1Nc1ccc(NC(=O)C=C)cc1

Cc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1

Cc1cnc(Nc2ccccc2)nc1Oc1cccc(NC(=O)C=C)c1

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|

Clc1cc(Cl)cc(NCC(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|

Clc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|

Clc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|

Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|

Cn1ccc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2c1=O |r,wU:14.13,17.17,(14.79,-47.72,;13.46,-48.49,;13.46,-50.03,;12.13,-50.8,;10.79,-50.04,;9.46,-50.81,;8.13,-50.04,;6.8,-50.81,;5.46,-50.05,;4.13,-50.82,;2.79,-50.05,;2.79,-48.5,;4.12,-47.73,;4.12,-46.19,;5.45,-45.42,;6.78,-46.19,;8.11,-45.42,;8.11,-43.88,;9.45,-43.11,;6.78,-43.11,;5.44,-43.88,;5.46,-48.5,;1.46,-47.73,;1.46,-46.19,;.13,-48.5,;.12,-46.96,;8.12,-48.51,;9.45,-47.73,;10.79,-48.5,;12.12,-47.72,;12.12,-46.18,)|

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1

FC(F)(F)c1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|

FC(F)(F)c1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|

FC(F)(F)c1cccc(NC(=O)Nc2cccc(Nc3ccc4\C(=C\c5ccc[nH]5)C(=O)Nc4c3)c2)c1

FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1

FC(F)(F)c1cccc(OCc2ccc(cc2)-c2ccc3ncc4ccc(=O)n(-c5ccc6CCN(C(=O)C=C)c6c5)c4c3c2)c1

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1

FC(F)(F)c1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1

Fc1cc(Cl)cc(N[C@@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|

Fc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|

Fc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

Fc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|

Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1ccco1

Fc1cccc(c1)S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|

Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|

Fc1cnc(Nc2ccc3OCCOCCOCCOc3c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|

Fc1cnc(Nc2ccc3OCCOCCOCCOc3c2)nc1Nc1cccc(NC(=O)C=C)c1

Fc1cnc(Nc2ccc3OCCOCCOCCOc3c2)nc1Nc1ccccc1NC(=O)C=C

Fc1cnc(Nc2cccc(OC(F)(F)F)c2)nc1Nc1cccc(NC(=O)C=C)c1

Fc1cnc(Nc2cccc(OCCN3CCOCC3)c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r|

Fc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]ccc12 |r|

N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12

NC(=O)C1C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1c1ccc(Oc2ccccc2)cc1 |r,c:22|

NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1

NC(=O)c1c(N)n(nc1-c1cnn(Cc2cccc(c2F)C(F)(F)F)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.28,wD:28.31,(-4.87,6.23,;-5.64,4.9,;-7.18,4.9,;-4.87,3.57,;-5.35,2.1,;-6.68,1.33,;-4.1,1.2,;-2.86,2.1,;-3.33,3.57,;-2.56,4.9,;-3.04,6.36,;-1.79,7.27,;-.55,6.36,;.94,6.76,;2.03,5.67,;1.63,4.19,;2.72,3.1,;4.21,3.5,;4.61,4.98,;3.52,6.07,;3.92,7.56,;6.09,5.38,;7.18,4.29,;6.09,3.84,;6.49,6.87,;-1.02,4.9,;-4.1,-.34,;-3.01,-1.43,;-4.1,-2.52,;-5.19,-1.43,;-5.35,-3.43,;-4.87,-4.89,;-3.33,-4.89,;-2.86,-3.43,;-2.56,-6.23,;-3.33,-7.56,;-1.02,-6.23,;-.25,-7.56,)|

NC(=O)c1c([nH]c2c(cnn12)C1CCN(C1)C(=O)C#C)-c1ccc(Oc2ccc(F)cc2)cc1

NC(=O)c1c([nH]c2c(cnn12)C1CCN(C1)C(=O)C#C)-c1ccc(Oc2ccccc2)cc1

NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccc(F)cc2F)cc1

NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccccc2)cc1

NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccccc2F)cc1

NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1

NC(=O)c1c([nH]c2c(cnn12)C1CN(C1)C(=O)C#C)-c1ccc(Oc2ccccc2)cc1

NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(Br)ccn1 |r|

NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(Cl)ccn1 |r|

NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(Cl)cc1 |r|

NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(F)cc1 |r|

NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccccc1 |r|

NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|

NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCNc1ncnc2[nH]ccc12

NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1

Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1

Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(NC(=O)C=C)c4)c3c2c1

Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39|

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|

Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r|

Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r|

Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|

Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1

Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12

Nc1ncnc2n(CC3SSCC3O)nc(-c3ccc(Oc4ccccc4)cc3)c12

Nc1ncnc2n(CCCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12

Nc1ncnc2n(CCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12

Nc1ncnc2n(CCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3OCF)nc(-c3ccc(Oc4ccccc4)cc3)c12

Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|

Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)|

Nc1ncnc2n(nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23.26,26.33,(-3.76,2.88,;-3.76,1.34,;-5.09,.57,;-5.09,-.97,;-3.76,-1.74,;-2.43,-.97,;-.96,-1.45,;-.06,-.2,;-.96,1.05,;-.56,2.53,;.92,2.93,;1.32,4.42,;.23,5.51,;.63,7,;2.12,7.4,;3.21,6.31,;4.7,6.7,;5.09,8.19,;4.01,9.28,;2.52,8.88,;-1.25,5.11,;-1.65,3.62,;-2.43,.57,;-.56,-2.93,;-1.65,-4.02,;-1.25,-5.51,;.23,-5.91,;1.32,-4.82,;.92,-3.33,;.63,-7.4,;2.12,-7.79,;2.52,-9.28,;3.21,-6.7,;4.7,-7.1,)|

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1OC(F)F |r|

Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12 |r|

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

O=C(Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 |r|

OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

OCCN1CCN(C[C@H]1c1cccc(NC(=O)Nc2c(F)cccc2N2CCCC2)c1)c1ncnc2[nH]ccc12 |r|

OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|

OCc1cccc(c1)-c1c[nH]c2ncnc(-c3ccc4CC[C@H](NC#N)c4c3)c12 |r|

Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

[H][C@@]1(CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c21)C(O)=N)C(C)(C)O |r,wU:1.0,(7.64,3.3,;7.24,1.81,;5.84,2.47,;4.58,1.59,;4.71,.05,;6.1,-.6,;7.37,.28,;4.84,-1.48,;3.3,-1.34,;2.9,-2.83,;1.41,-3.22,;.33,-2.13,;-1.16,-2.53,;.73,-.64,;-.36,.45,;.05,1.93,;-1.04,3.03,;-2.53,2.63,;-2.93,1.15,;-1.85,.05,;-2.25,-1.43,;-4.42,.75,;-4.82,-.73,;-3.74,-1.83,;-6.31,-1.13,;-6.71,-2.62,;-7.4,-.04,;-8.89,-.43,;-9.29,-1.92,;-9.97,.66,;-9.57,2.15,;-8.08,2.54,;-6.99,1.45,;-5.51,1.84,;-5.1,3.33,;2.22,-.25,;3.99,-3.92,;5.48,-3.53,;3.58,-5.41,;8.77,1.67,;8.91,3.21,;8.63,.14,;10.3,1.53,)|

[H][C@]1(CCCN1C(=O)C#CC)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

[H][C@]12COC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|