11464 SMILES Strings for Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform

Compound Name
SMILES String
Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(-2.34,-2.43,;-2.02,-3.93,;-3.16,-4.96,;-2.84,-6.46,;-1.38,-6.94,;-.23,-5.91,;-.55,-4.4,;.59,-3.38,;.27,-1.87,;-1.2,-1.4,;-1.67,.06,;-.77,1.31,;-1.67,2.55,;-1.2,4.01,;-2.23,5.16,;-1.75,6.62,;-.25,6.94,;.78,5.8,;2.28,6.12,;.31,4.33,;-3.14,2.08,;-4.47,2.85,;-4.47,4.38,;-5.8,2.08,;-5.8,.54,;-4.47,-.23,;-3.14,.54,;1.41,-.84,;2.88,-1.32,;4.02,-.29,;5.48,-.76,;5.8,-2.27,;4.66,-3.3,;4.98,-4.8,;3.2,-2.82,;2.05,-3.85,;2.37,-5.35,)|
Cc1ccccc1-n1c(Cn2ncc3c(N)cccc23)nc2cccc(C)c2c1=O |(3.13,1.21,;3.13,2.75,;4.47,3.52,;4.47,5.06,;3.13,5.83,;1.8,5.06,;1.8,3.52,;.47,2.75,;.47,1.21,;1.8,.44,;1.8,-1.1,;.6,-2.07,;1.16,-3.51,;2.69,-3.32,;3.78,-4.41,;3.38,-5.89,;5.27,-4.01,;5.67,-2.52,;4.58,-1.43,;3.09,-1.83,;-.87,.44,;-2.2,1.21,;-3.53,.44,;-4.87,1.21,;-4.87,2.75,;-3.53,3.52,;-3.53,5.06,;-2.2,2.75,;-.87,3.52,;-.87,5.06,)|
Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;-1.5,-4.29,;-2.59,-5.38,;-4.13,-5.38,;-2.19,-6.87,;-.7,-7.26,;-.3,-8.75,;.39,-6.18,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)|
Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;.39,-6.18,;-.7,-7.26,;-2.19,-6.87,;-3.52,-7.64,;-2.59,-5.38,;-4.13,-5.38,;-1.5,-4.29,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)|
Cc1ccccc1-n1c(Cn2nc(-c3ccc(F)c(O)c3)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;.39,-6.18,;-.7,-7.26,;-2.19,-6.87,;-3.28,-7.96,;-2.59,-5.38,;-4.08,-4.98,;-1.5,-4.29,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)|
Cc1ccccc1-n1c(Cn2nc(-c3cccc4[nH]ccc34)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;.39,-6.18,;-.7,-7.26,;-2.19,-6.87,;-2.59,-5.38,;-3.96,-4.68,;-3.72,-3.16,;-2.2,-2.92,;-1.5,-4.29,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)|
Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;-.85,-5.98,;-1.69,-7.27,;-3.23,-7.27,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)|
COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6|
c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2
Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
CCC(Nc1ncnc2nc[nH]c12)c1nc2ccccc2c(=O)n1-c1ccccc1
CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4
CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F |(4.1,.06,;2.77,.83,;1.44,.06,;1.44,-1.48,;2.77,-2.25,;4.1,-1.48,;5.44,-2.25,;5.44,-3.79,;4.1,-4.56,;3.78,-6.06,;2.25,-6.22,;1.63,-4.82,;2.77,-3.79,;.1,.83,;-1.23,.06,;-2.56,.83,;-3.9,.06,;-5.23,.83,;-5.23,2.37,;-3.9,3.14,;-3.9,4.68,;-2.56,2.37,;-1.23,3.14,;-1.23,4.68,;.1,2.37,;1.44,3.14,;1.44,4.68,;-.05,5.08,;2.77,5.45,;4.1,4.68,;4.1,3.14,;2.77,2.37,;4.1,1.6,)|
CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
O=S(=O)(Nc1cncc(c1)-c1ccc2ncnc(Oc3cccnc3)c2n1)c1ccccc1
O=S(=O)(Nc1cncc(c1)-c1ccc2ncnc(OC3CCOCC3)c2n1)c1ccccc1
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncnc(OC3CCOCC3)c2n1
CN1CCC(CC1)Oc1ncnc2ccc(nc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1
CN1CCC(CC1)Oc1ncnc2ccc(nc12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncnc(NC3CCOCC3)c2n1
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C4)C(=O)C4CCOCC4)c3C2)c(OC)n1 |r|
COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1cnc(OC)c(OC)c1 |r|
COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
Nc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
COc1ncc(cc1F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
COCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C#N |r|
COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCCC3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ccoc3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cncn3C)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3coc(C)n3)c2C1 |r|
COC1CC(C1)C(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1cnc(OC)c(C)c1 |r,wD:11.14,(9,5.87,;8.61,4.38,;7.12,3.98,;6.35,2.65,;5.02,3.42,;5.79,4.75,;3.53,3.02,;2.44,4.11,;3.13,1.53,;4.03,.29,;3.13,-.96,;1.66,-.48,;1.66,1.06,;.33,-1.25,;.33,-2.79,;1.66,-3.56,;1.66,-5.1,;.33,-5.87,;-1,-5.1,;-2.34,-5.87,;-3.67,-5.1,;-3.67,-3.56,;-2.34,-2.79,;-1,-3.56,;-5,-2.79,;-5,-1.25,;-6.34,-.48,;-7.67,-1.25,;-9,-.48,;-9,1.06,;-7.67,-2.79,;-9,-3.56,;-6.34,-3.56,)|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cocn3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCN(CC3)C(C)=O)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ocnc3C)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ccc(=O)[nH]c3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)c2C1 |r|
COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cocn3)c2C1 |r|
COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r|
COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3coc(C)n3)c2C1 |r|
COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r|
COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)c2C1 |r|
COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCC(F)(F)CC3)c2C1 |r|
COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)CC3CCOCC3)c2C1 |r|
COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)c2C1 |r|
COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ncoc3C)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnoc3C)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3conc3C)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ccon3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ccno3)c2C1 |r|
COc1ncc(cc1[N+]#[C-])N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cscn3)c2C1 |r|
COc1ncc(cc1[N+]#[C-])N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnn(C)c3)c2C1 |r|
COc1ncc(cc1[N+]#[C-])N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ccn(C)n3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cncs3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ccnn3C)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CNC(=O)C3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cccnc3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnc[nH]3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCC(=O)N3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ccncc3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cn(C)nc3C)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cn[nH]c3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3nnc(C)o3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnccn3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnn(C)c3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cscn3)c2C1 |r|
COc1ncc(cc1Cl)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
Nc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(OC3CN(C3)C(=O)C3CCOCC3)c2C1
COc1ncc(cn1)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
O=C(C1CCOCC1)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1cnc2ccccc2c1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)CC(C)(C)C)c2C1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C#N |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)c3ccccn3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)c3ncccn3)c2C1 |r|
CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
COc1ncc(cc1C#N)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCN(CC3)C(C)=O)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r|
CO[C@H]1CC[C@H](CC1)C(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F |r,wU:5.8,2.1,wD:13.16,(10.58,2.37,;9.81,3.7,;8.27,3.7,;7.5,2.37,;5.96,2.37,;5.19,3.7,;5.96,5.04,;7.5,5.04,;3.65,3.7,;2.88,5.04,;2.88,2.37,;3.79,1.12,;2.88,-.12,;1.42,.35,;1.42,1.89,;.09,-.42,;.09,-1.96,;1.42,-2.73,;1.42,-4.27,;.09,-5.04,;-1.25,-4.27,;-2.58,-5.04,;-3.92,-4.27,;-3.92,-2.73,;-2.58,-1.96,;-1.25,-2.73,;-5.25,-1.96,;-5.25,-.42,;-6.58,.35,;-7.92,-.42,;-9.25,.35,;-9.25,1.89,;-7.92,-1.96,;-6.58,-2.73,;-9.25,-2.73,;-10.58,-1.96,;-9.25,-4.27,;-10.02,-1.39,)|
CO[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F |r,wU:5.8,wD:13.16,2.1,(10.58,2.37,;9.81,3.7,;8.27,3.7,;7.5,5.04,;5.96,5.04,;5.19,3.7,;5.96,2.37,;7.5,2.37,;3.65,3.7,;2.88,5.04,;2.88,2.37,;3.79,1.12,;2.88,-.12,;1.42,.35,;1.42,1.89,;.09,-.42,;.09,-1.96,;1.42,-2.73,;1.42,-4.27,;.09,-5.04,;-1.25,-4.27,;-2.58,-5.04,;-3.92,-4.27,;-3.92,-2.73,;-2.58,-1.96,;-1.25,-2.73,;-5.25,-1.96,;-5.25,-.42,;-6.58,.35,;-7.92,-.42,;-9.25,.35,;-9.25,1.89,;-7.92,-1.96,;-6.58,-2.73,;-9.25,-2.73,;-10.58,-1.96,;-9.25,-4.27,;-10.02,-1.39,)|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)[C@@H]3CC[C@H](O)CC3)c2C1 |r,wU:28.29,31.33,wD:21.21,(-8.87,1.89,;-8.87,.35,;-7.53,-.42,;-6.2,.35,;-4.86,-.42,;-4.86,-1.96,;-6.2,-2.73,;-7.53,-1.96,;-8.87,-2.73,;-10.2,-1.96,;-8.87,-4.27,;-9.64,-1.39,;-3.53,-2.73,;-3.53,-4.27,;-2.2,-5.04,;-.86,-4.27,;.47,-5.04,;1.8,-4.27,;1.8,-2.73,;.47,-1.96,;.47,-.42,;1.8,.35,;3.27,-.12,;4.17,1.12,;3.27,2.37,;1.8,1.89,;4.04,3.7,;3.27,5.04,;5.58,3.7,;6.35,2.37,;7.89,2.37,;8.66,3.7,;10.2,3.7,;7.89,5.04,;6.35,5.04,;-.86,-2.73,;-2.2,-1.96,)|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)[C@H]3CC[C@H](O)CC3)c2C1 |r,wU:28.29,wD:21.21,31.33,(-8.87,1.89,;-8.87,.35,;-7.53,-.42,;-6.2,.35,;-4.86,-.42,;-4.86,-1.96,;-6.2,-2.73,;-7.53,-1.96,;-8.87,-2.73,;-10.2,-1.96,;-8.87,-4.27,;-9.64,-1.39,;-3.53,-2.73,;-3.53,-4.27,;-2.2,-5.04,;-.86,-4.27,;.47,-5.04,;1.8,-4.27,;1.8,-2.73,;.47,-1.96,;.47,-.42,;1.8,.35,;3.27,-.12,;4.17,1.12,;3.27,2.37,;1.8,1.89,;4.04,3.7,;3.27,5.04,;5.58,3.7,;6.35,5.04,;7.89,5.04,;8.66,3.7,;10.2,3.7,;7.89,2.37,;6.35,2.37,;-.86,-2.73,;-2.2,-1.96,)|
COc1ncc(cc1C)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)c3cn(C)cn3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)c3cocn3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(C)c1 |r|
COc1ncc(cc1Cl)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
COc1ncc(cc1C)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
FC(F)(F)c1cncc(c1)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)N3CCN(C)CC3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)N3CCOCC3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)N3CCC(O)CC3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)N(C)CCO)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)N3CCN(CC3)C(C)=O)c2C1 |r|
COC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C#N |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cocn3)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCN(CC3)C(C)=O)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cncn3C)c2C1 |r|
COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r|
COc1ccc(cn1)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r|
CC(c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12
CC(c1nc2cccc(C)c2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12
CC(Nc1ncnc2nc[nH]c12)c1nc2ccsc2c(=O)n1-c1ccccc1
CC(Nc1ncnc2nc[nH]c12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1
Cc1cccc2nc(Cn3nc(I)c4c(N)ncnc34)c(-c3cccc(F)c3)c(=O)n12
Cc1ccccc1-c1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)n2c1=O |(-7.52,-4.69,;-8,-6.15,;-9.5,-6.47,;-9.98,-7.94,;-8.95,-9.08,;-7.44,-8.76,;-6.97,-7.29,;-5.46,-6.97,;-4.99,-5.51,;-6.02,-4.37,;-5.54,-2.9,;-6.45,-1.65,;-5.54,-.41,;-4.08,-.88,;-2.74,-.11,;-2.74,1.43,;-1.41,-.88,;-1.41,-2.42,;-2.74,-3.19,;-4.08,-2.42,;-3.48,-5.19,;-2.45,-6.33,;-.94,-6.01,;.09,-7.16,;-.39,-8.62,;-1.89,-8.94,;-2.37,-10.41,;-2.92,-7.8,;-4.43,-8.12,;-4.91,-9.58,)|
C[C@@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(F)c1
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(F)c1
Cc1cccc2nc(CNc3ncnc4[nH]cnc34)c(-c3cccc(F)c3)c(=O)n12
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(F)c1
C[C@@H](Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1ccccc1S(C)(=O)=O |wD:1.0,(-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-8,,;-9.34,-.77,;-6.67,-.77,;-6.67,-2.31,;-6.67,-3.85,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-4,-5.39,;-2.67,-4.62,;-1.33,-5.39,;-.56,-4.06,;,-6.16,;-2.1,-6.72,)|
C[C@@H](Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1ccccc1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(O)c1-c1cc(F)cc(F)c1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1cccc(F)c1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1cc(C)ccn1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1ccccn1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1ccccc1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)n2c(=O)c1-c1ccccn1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)n2c(=O)c1-c1ccccc1 |r|
CC(Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1ccccc1S(C)(=O)=O |(-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-8,,;-9.34,-.77,;-6.67,-.77,;-6.67,-2.31,;-6.67,-3.85,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-4,-5.39,;-2.67,-4.62,;-1.33,-5.39,;-.56,-4.06,;,-6.16,;-2.1,-6.72,)|
CC(Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1cc(F)cc(F)c1
CC(Nc1ncnc(N)c1C#N)c1c(-c2cc(F)cc(F)c2)c(=O)c2cc(F)ccc2n1C
CC(Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1cccc(F)c1
CC(Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1cc(C)ccn1
CC(Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1ccccn1
CC(Nc1ncnc(N)c1C#N)c1nc2ccccn2c(=O)c1-c1ccccc1
CC(Nc1ncnc(N)c1C#N)c1nc2cccc(C)n2c(=O)c1-c1ccccn1
CC(Nc1ncnc(N)c1C#N)c1nc2cccc(C)n2c(=O)c1-c1ccccc1
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccccn1
Cc1ccccc1-c1c(CSc2ncnc3nc[nH]c23)nc2cccc(C)n2c1=O |(-.14,5.92,;-.14,4.38,;1.2,3.61,;1.2,2.07,;-.14,1.3,;-1.47,2.07,;-1.47,3.61,;-2.8,4.38,;-4.14,3.61,;-4.14,2.07,;-5.47,1.3,;-5.47,-.24,;-4.14,-1.01,;-4.14,-2.55,;-5.47,-3.32,;-6.81,-2.55,;-8.27,-3.02,;-9.18,-1.78,;-8.27,-.53,;-6.81,-1.01,;-5.47,4.38,;-5.47,5.92,;-6.81,6.69,;-6.81,8.23,;-5.47,9,;-4.14,8.23,;-2.8,9,;-4.14,6.69,;-2.8,5.92,;-1.47,6.69,)|
C[C@@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cn2c(=O)c1-c1ccccn1
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cn2c(=O)c1-c1ccccn1
CC(Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cn2c(=O)c1-c1ccccn1
C[C@@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cn2c(=O)c1-c1cccc(F)c1
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cn2c(=O)c1-c1cccc(F)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cn2c(=O)c1-c1cccc(F)c1
COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc3n(C)c(=O)sc3c2)c1
COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1
COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(c2)C#N)c1
COc1ccc(OC)c(Nc2nc3ncccc3nc2NS(=O)(=O)c2ccccc2)c1
COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1
COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(c2)C(=O)NCCCN(C)C)cc(OC)c1
COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)cc(OC)c1
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccccc2c(=O)n1-c1cccc(F)c1 |r|
CC(Nc1ncnc2[nH]cc(C)c12)c1nc2cccc(C)c2c(=O)n1-c1cccc(F)c1
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
CC(Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1cc(F)cc(F)c1
CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
CC(Nc1ncnc(N)c1C#N)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
CN1CCc2cc(cnc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
CN1CCCCC1C1CCCN1c1cc2OCCn3cc(nc3-c2cn1)-c1nc(C)nn1CC(F)(F)F
CC(C)n1ncnc1-c1cn2CCOc3cc(ncc3-c2n1)N1CCCC1CN1CCCC1
CC(C)n1ncnc1-c1cn2CCOc3cc(ncc3-c2n1)N1CCCC1C1CCN(C)CC1
CC(C)n1ncnc1-c1cn2CCOc3ccc(CN4CCN(CC4)C(C)(C)C)cc3-c2n1
CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccccc1S(N)(=O)=O
CC(C)n1ncnc1-c1cn2CCOc3ccc(cc3-c2n1)C(=O)N1CCN(CC1)C(C)(C)C
CC(C)N1CCC(CC1)C(C)Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CCCN(C1)C(C)(C)CO
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ncnn1C1CCN(CC1)C(C)(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(OC4(CN5CCN(C)CC5)CC4)ccc3-c2n1
CC(C)N1CC(C)CC(C1)Oc1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)N1CCC(C)(C1)Oc1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccnn1C1CCCN(Cc2ccccc2)C1
CC(C)N1CCC(CC1)[C@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C |r|
CC(C)n1ncnc1-c1cn2CCOc3cc(-c4ccnn4C4CCN(C)CC4)c(C)cc3-c2n1
CC(C)N1CCC(CC1)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C |r|
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccnn1C1CCCN(C1)C(C)(C)CO
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccnn1C1CCN(CC1)C(C)(C)C
CC(C)n1ncnc1-c1cn2CCOc3ccc(cc3-c2n1)S(=O)C1CCN(CC1)C(C)(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(OC4(C)CNC4)ccc3-c2n1
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC1C1CCN(CC(C)(C)O)CC1
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)C(=O)N1CCN(CC1)C(C)(C)C
CC(C)N1CC(C1)(Oc1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C)c1ccccc1
CC(C)n1nc(C)nc1-c1cn2CCOc3ccc(cc3-c2n1)C(O)C1CCN(C)CC1
CC(C)n1ncc(c1CN1CCN(CC1)C(C)(C)C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1ncc(c1CN1CCN(C)CC1)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)N1CCCC(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)N1CCCC(C1)c1nn(C)cc1-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)C(=O)N1CCN(CC1)C(C)(C)CO
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccnn1C1CC(C)N(C)C(C)C1
CC(C)N1CC(CC2CC2)(C1)Oc1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(OC4(CC5CC5)CNC4)ccc3-c2n1
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccnn1C1CCCN(C1)C1(C)COC1
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC1C1CCN(C)CC1
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CCCCN1CC(C)(C)O
CC(C)n1nc(CO)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccnn1C1CCN(C)CC1
CC(C)N1CCC(CC1)C1CCN1c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)C |r|
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C
CC(C)N1CCC(CC1)n1nccc1-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)[C@H](C)N1CCN(CC1)C(C)(C)C |r|
CC(C)n1nc(N)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccnn1C1CCN(C)CC1
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(C)c(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)C |r|
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(C)c(cc3-c2n1)[C@H](C)N1CCN(CC1)C(C)(C)C |r|
CC(C)CC1(CN(C1)C(C)C)Oc1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cnc(cc3-c2n1)[C@H](C)N1CCN(CC1)C(C)(C)C |r|
CCN1CCC(CC1)C1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cnc(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)C |r|
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC1C1CCN(CC1)S(C)(=O)=O
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC1C1CCCN(C)C1
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC11CCCN(C)C1
CC(C)N1CCCC(C1)n1nccc1-c1cc2-c3nc(cn3CCOc2cc1F)-c1nc(C)nn1C(C)C
CC(C)N1CCCC(C1)n1c(C)ncc1-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC1C1CCCCN1C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1CN1CCCC1 |r|
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@@H]1CN1CCCC1 |r|
CC(C)n1nc(N)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1ccnn1C1CCN(CC1)C(C)(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)C(C)N1CCN(CC1)C(C)(C)C
CC(C)N1CCN(CC1)[C@H](C)c1cc2-c3nc(cn3CCOc2cc1C)-c1nc(C)nn1C(C)C |r|
CC(C)N1CCN(CC1)[C@@H](C)c1cc2-c3nc(cn3CCOc2cc1C)-c1nc(C)nn1C(C)C |r|
CCN(CC)C1CCOC(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)[C@@H](C)N1CCN(CC(C)(C)O)CC1 |r|
CC(C)N(C)C1CCOC(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)[C@H](C)N1CCN(CC(C)(C)O)CC1 |r|
CC(C)N1CCCC2(CCCN2c2ccc3-c4nc(cn4CCOc3c2)-c2nc(C)nn2C(C)C)C1
CC(C)N1CCN(CC1)[C@H](C)c1cc2-c3nc(cn3CCOc2cc1F)-c1nc(C)nn1C(C)C |r|
CC(C)N1CCN(CC1)[C@@H](C)c1cc2-c3nc(cn3CCOc2cc1F)-c1nc(C)nn1C(C)C |r|
CC(C)N1CCC[C@H](C1)C1CCN1c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C |r|
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(C)c(cc3-c2n1)C(C)N1CCN(CC1)C1COC1
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC1CN(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)CO |r|
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(C)c(cc3-c2n1)C(C)N1CCN(CC(C)(C)O)CC1
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)[C@H](C)N1CCN(CC1)C(C)(C)CO |r|
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)-c1ccnn1C1CCCN(C1)C1COC1
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)-c1ccnn1C1CCCN(C1)C(C)(C)CO
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C
COc1cc2OCCn3cc(nc3-c2cc1[C@@H](C)N1CCN(CC1)C(C)(C)C)-c1nc(C)nn1C(C)C |r|
COc1cc2OCCn3cc(nc3-c2cc1[C@H](C)N1CCN(CC1)C(C)(C)C)-c1nc(C)nn1C(C)C |r|
CC(C)N1CCCC(C1)c1c(cnn1C)-c1cc2-c3nc(cn3CCOc2cc1F)-c1nc(C)nn1C(C)C
CC(C)N1CCCC(C1)c1[nH]ncc1-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cnc(cc3-c2n1)[C@H](C)N1CCN(CC1)C(C)(C)CO |r|
CC(C)n1nc(C)nc1-c1cn2CCOc3cnc(cc3-c2n1)[C@@H](C)N1CCN(CC1)C(C)(C)CO |r|
CC(C)N1CCN(C)C(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)[C@@H]1CN(CCN1C)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C |r|
CC(C)N1CCCC(C1)c1nccn1-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)N1CCCC(C1)c1c(cnn1C)-c1cc2OCCn3cc(nc3-c2cn1)-c1nc(C)nn1C(C)C
CC(C)N1CCOC(C1)c1c(cnn1C)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(F)c(cc3-c2n1)C(C)N1CCN(C)CC1
CCN1CCN(CC1)C(C)c1cc2-c3nc(cn3CCOc2cc1F)-c1nc(C)nn1C(C)C
COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(C)c1-c1cncc(c1)C#N)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(C)c1-c1cnc(N)nc1)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(C)c1-c1ccc(cc1)S(C)(=O)=O)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(C)c1-c1cncc(c1)C(=O)N1CCOCC1)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(F)c1-c1cncc(c1)C#N)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(F)c1-c1cncc(F)c1)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(F)c1-c1cncc(c1)S(C)(=O)=O)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(F)c1-c1ccc(cc1)S(C)(=O)=O)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(F)c1-c1cnc(N)nc1)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(Cl)c1-c1cncc(c1)S(C)(=O)=O)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(Cl)c1-c1cncc(F)c1)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(Cl)c1-c1ccc(cc1)S(C)(=O)=O)C(C)Nc1ncnc(N)c1C#N
COc1c(cc(Cl)c(Cl)c1-c1cnc(N)nc1)C(C)Nc1ncnc(N)c1C#N
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
CCC(Nc1ncnc2[nH]cnc12)c1nc2ccccc2c(=O)n1-c1ccccc1
CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1c(F)cccc1F |(-6.81,-.53,;-5.47,.24,;-4.14,-.53,;-2.8,.24,;-2.8,1.78,;-1.47,2.55,;-1.47,4.09,;-2.8,4.86,;-4.14,4.09,;-5.6,4.56,;-6.51,3.32,;-5.6,2.07,;-4.14,2.55,;-4.14,-2.07,;-5.47,-2.84,;-5.47,-4.38,;-6.81,-5.15,;-6.81,-6.69,;-5.47,-7.46,;-4.14,-6.69,;-2.8,-7.46,;-4.14,-5.15,;-2.8,-4.38,;-1.47,-5.15,;-2.8,-2.84,;-1.47,-2.07,;-1.47,-.53,;-2.1,.87,;-.14,.24,;1.2,-.53,;1.2,-2.07,;-.14,-2.84,;-.14,-4.38,)|
CC(C)Oc1ccc(cc1F)-c1nn(C(C)c2oc3ccccc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12
CC(C)Oc1ccc(cc1F)-c1nn([C@@H](C)c2oc3ccccc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12 |r|
CC(C)Oc1ccc(cc1F)-c1nn([C@H](C)c2oc3ccccc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12 |r|
CC(C)Oc1ccc(cc1F)-c1nn(C(C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12
CC(C)Oc1ccc(cc1F)-c1nn([C@@H](C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12 |r|
CC(C)Oc1ccc(cc1F)-c1nn([C@H](C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12 |r|
Cn1nc(nc1-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C)C1CCN(CC1)C(=O)CCO
CCn1nc(nc1-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C)C1CCN(CC1)C(=O)CCO
C[C@@H](O)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-c2nnc(o2)C(C)(C)C)n(C)n1 |r|
C[C@H](O)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-c2nnc(o2)C(C)(C)C)n(C)n1 |r|
C[C@H](CO)C(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-c2nnc(o2)C(C)(C)C)n(C)n1 |r|
Cn1nc(nc1-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C)C1CCN(CC1)C(=O)C(C)(C)O
Cn1nc(nc1-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C)C1CCN(CC1)C(=O)CC(O)=O
CCn1nc(nc1-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C)C1CCN(CC1)C(=O)CC(O)=O
CC1(C)CCCC2(C)C1CCc1oc3c(B(O)O)c(O)c(O)cc3c21
Fc1cccc2nc([C@H](CC(F)(F)F)Nc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 |r|
CC[C@H](Nc1ncnc2[nH]ccc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1cccc(CC(F)(F)F)c1 |r|
CC[C@H](Nc1ncnc2[nH]ccc12)c1nc2cccc(F)c2c(=O)n1-c1cccc(CC(F)(F)F)c1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1cccc(OCC(F)(F)F)c1 |r|
CC[C@H](Nc1ncnc2[nH]ccc12)c1nc2cccc(F)c2c(=O)n1-c1cccc(OCC(F)(F)F)c1 |r|
C[C@H](Nc1ncnc2[nH]ccc12)c1nc2cccc(F)c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 |r|
CC[C@H](Nc1ncnc2[nH]ccc12)c1nc2cccc(F)c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 |r|
C[C@H](Nc1ncnc2[nH]cc(F)c12)c1nc2cccc(F)c2c(=O)n1-c1cccc(OCC(F)(F)F)c1 |r|
C[C@H](Nc1ncnc2[nH]ccc12)c1nc2cccc(F)c2c(=O)n1-c1cccc(OCC(F)(F)C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc2[nH]ccc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(OCC(F)(F)F)c1 |r|
Fc1cccc2nc(CNc3ncnc4[nH]ccc34)n(-c3cccc(OCC(F)(F)F)c3)c(=O)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](CC2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccc(F)cc2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(c2c(=O)n1-c1cccnc1)S(C)(=O)=O |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(c2c(=O)n1-c1cccnc1)C(F)(F)F |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#N)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C)c2c(=O)n1-c1cncc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(Cl)c1 |r|
COc1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(c1)C(F)F |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(C)c1 |r|
Cc1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(c1)C(F)(F)F |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(c1)C1CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cncc(F)c2)n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cccc2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(F)c2c(=O)n1-c1cccnc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
c1cc(cnc1)N2C(=O)c3c(ccc(c3N=C2[C@H](C4CC4)Nc5c(c(nc(n5)N)N)C#N)F)Cl
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](CC2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cncc(C)c1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cncc(F)c2)n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(C#N)c2c(=O)n1-c1cccnc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(C#N)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccc(F)c(Cl)c2c(=O)n1-c1cccnc1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3ccc(F)c(Cl)c3c(=O)n2-c2cccnc2)n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;.67,5,;-.67,5.77,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnccc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;.67,5,;-.67,5.77,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccc(F)c(Cl)c2c(=O)n1-c1cnccc1C |r,wD:1.0,(2.67,1.15,;1.33,.38,;1.33,-1.16,;2.67,-1.93,;4,-1.16,;5.33,-1.93,;6.67,-1.15,;5.33,-3.47,;4,-4.23,;4,-5.78,;2.67,-3.47,;1.33,-4.24,;,-5.01,;,1.15,;-1.33,.38,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-5.33,2.69,;-6.67,3.47,;-4,3.46,;-4,5,;-2.67,2.69,;-1.33,3.46,;-1.33,5,;,2.69,;1.33,3.46,;2.67,2.69,;4,3.46,;4,5,;2.67,5.78,;1.33,5,;,5.77,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cnc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;4.67,2.69,;3.33,5,;2,5.78,;.67,5,;-.67,5.77,)|
Cc1c(cncc1F)N2C(=O)c3c(cccc3Cl)N=C2[C@H](C)Nc4c(c(nc(n4)N)N)C#N
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(c2c(=O)n1-c1cccnc1)S(C)(=O)=O |r|
C[C@H](Nc1nc(N)nc(N)c1C(N)=O)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(F)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(cc(F)cc2c(=O)n1-c1cccnc1)C#N |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(cc(F)cc2c(=O)n1-c1cncc(F)c1)C#N |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(cc(F)cc3c(=O)n2-c2cncc(F)c2)C#N)n1 |r|
CC(C)C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r|
CC(C)C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3c(F)ccc(C#N)c3c(=O)n2-c2cccnc2)n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Br)c2c(=O)n1-c1cncc(F)c1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Br)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(C#N)c2c(=O)n1-c1cncc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(C#N)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Br)c2c(=O)n1-c1cccnc1 |r|
Cc1c(F)cncc1-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r,wD:21.24,(-.67,5,;.67,4.23,;2,5,;2,6.54,;3.33,4.23,;3.33,2.69,;2,1.92,;.67,2.69,;-.67,1.92,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-4.67,-1.93,;-6,.38,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,;-2,2.69,;-2,4.23,;.67,-.39,;.67,-1.93,;2,-2.7,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;4.67,-4.24,;3.33,-5,;3.33,-6.54,;2,-4.24,;.67,-5.01,;-.67,-5.78,;2,.38,;3.54,.38,;2.77,1.72,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cncc(F)c1C |r,wD:1.0,(2,.38,;.67,-.39,;.67,-1.93,;2,-2.7,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;4.67,-4.24,;3.33,-5,;3.33,-6.54,;2,-4.24,;.67,-5.01,;-.67,-5.78,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,;-2,2.69,;-2,4.23,;-.67,1.92,;.67,2.69,;2,1.92,;3.33,2.69,;3.33,4.23,;2,5,;2,6.54,;.67,4.23,;-.67,5,)|
Cc1c(F)cncc1-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r,wD:20.23,(-.67,5,;.67,4.23,;2,5,;2,6.54,;3.33,4.23,;3.33,2.69,;2,1.92,;.67,2.69,;-.67,1.92,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,;-2,2.69,;-2,4.23,;.67,-.39,;.67,-1.93,;2,-2.7,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;4.67,-4.24,;3.33,-5,;3.33,-6.54,;2,-4.24,;.67,-5.01,;-.67,-5.78,;2,.38,;3.54,.38,;2.77,1.72,)|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1C |r,wD:2.2,(3.33,-.39,;2,.38,;.67,-.39,;.67,-1.93,;2,-2.7,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;4.67,-4.24,;3.33,-5,;3.33,-6.54,;2,-4.24,;.67,-5.01,;-.67,-5.78,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,;-2,2.69,;-2,4.23,;-.67,1.92,;.67,2.69,;2,1.92,;3.33,2.69,;3.33,4.23,;2,5,;2,6.54,;.67,4.23,;-.67,5,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cncc(F)c1C |r,wD:1.0,(2,.38,;.67,-.39,;.67,-1.93,;2,-2.7,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;4.67,-4.24,;3.33,-5,;3.33,-6.54,;2,-4.24,;.67,-5.01,;-.67,-5.78,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-4.67,-1.93,;-6,.38,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,;-2,2.69,;-2,4.23,;-.67,1.92,;.67,2.69,;2,1.92,;3.33,2.69,;3.33,4.23,;2,5,;2,6.54,;.67,4.23,;-.67,5,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccc(F)cc2c(=O)n1-c1cncc(F)c1C |r,wD:1.0,(2.67,.38,;1.33,-.39,;1.33,-1.93,;2.67,-2.7,;4,-1.93,;5.33,-2.7,;6.67,-1.93,;5.33,-4.24,;4,-5,;4,-6.54,;2.67,-4.24,;1.33,-5.01,;,-5.78,;,.38,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-5.33,.38,;-5.33,1.92,;-6.67,2.69,;-4,2.69,;-2.67,1.92,;-1.33,2.69,;-1.33,4.23,;,1.92,;1.33,2.69,;2.67,1.92,;4,2.69,;4,4.23,;2.67,5,;2.67,6.54,;1.33,4.23,;,5,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(C)c1C |r,wD:1.0,(2,.38,;.67,-.39,;.67,-1.93,;2,-2.7,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;4.67,-4.24,;3.33,-5,;3.33,-6.54,;2,-4.24,;.67,-5.01,;-.67,-5.78,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,;-2,2.69,;-2,4.23,;-.67,1.92,;.67,2.69,;2,1.92,;3.33,2.69,;3.33,4.23,;2,5,;2,6.54,;.67,4.23,;-.67,5,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(c2c(=O)n1-c1cnccc1C)C(F)(F)F |r,wD:1.0,(2,.77,;.67,,;.67,-1.54,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;6,-1.54,;4.67,-3.85,;3.33,-4.62,;3.33,-6.16,;2,-3.85,;.67,-4.62,;-.67,-5.39,;-.67,.77,;-2,,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-4.67,3.08,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.67,2.31,;.67,3.08,;2,2.31,;3.33,3.08,;3.33,4.62,;2,5.39,;.67,4.62,;-.67,5.39,;-4.67,4.62,;-6,5.39,;-3.33,5.39,;-4.67,6.16,)|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1ccc(N)nc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1ccc(N)nc1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
Nc1ccc(cn1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
Nc1ccc(cn1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cc1C |r,wD:2.2,(3.33,.38,;2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;4.67,5.77,;2,5.78,;.67,5,;-.67,5.77,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;4.67,5.77,;2,5.78,;.67,5,;-.67,5.77,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cnc(N)cc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;4.67,5.77,;2,5.78,;.67,5,;-.67,5.77,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
Cc1cc(N)ncc1-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r,wD:21.24,(-.67,5.77,;.67,5,;2,5.78,;3.33,5,;4.67,5.77,;3.33,3.46,;2,2.69,;.67,3.46,;-.67,2.69,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-4.67,-1.15,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;2,1.15,;3.54,1.15,;2.77,2.49,)|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2ccc(F)c(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccc(F)c(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
CCC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
CCC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
CCC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2ccc(F)c(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
CCC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccc(F)c(Cl)c2c(=O)n1-c1ccc(N)nc1 |r|
Nc1ccc(cn1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
Nc1ccc(cn1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(N)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(N)c1 |r|
C[C@@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
CC[C@@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
Nc1nc(N)c(C#N)c(N[C@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r|
C[C@@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r|
C[C@@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1C |r,wU:1.0,(2,.38,;.67,-.39,;.67,-1.93,;2,-2.7,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;4.67,-4.24,;3.33,-5,;3.33,-6.54,;2,-4.24,;.67,-5.01,;-.67,-5.78,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,;-2,2.69,;-2,4.23,;-.67,1.92,;.67,2.69,;2,1.92,;3.33,2.69,;3.33,4.23,;2,5,;2,6.54,;.67,4.23,;-.67,5,)|
COCCOCCOCC#Cc1cccc2nc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)n(Cc3ccccc3C(F)(F)F)c(=O)c12
COCCN(CCOC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
COCCOCCOCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3F)c(=O)c12
Nc1ncnc2n(Cc3nc4cccc(C#CCOCCOCCO)c4c(=O)n3Cc3ccccc3C(F)(F)F)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc(N[C@@H](CO)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C#N)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccnc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(F)ccc(F)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(F)cccc2c(=O)n1-c1cc(F)cc(F)c1 |r|
COC(=O)c1ccc(nc1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(F)ccc(F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(Cl)cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
COc1ccc(nc1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1ccccc1 |r|
COc1ccc(nc1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2c(F)cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(F)cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccnn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccc(N)n1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnc(N)cc1C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnc(N)cc1C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC(O)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC(O)C#Cc1c(N)ncnc1N[C@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC(O)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
CC(O)C#Cc1c(N)ncnc1N[C@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#CC1CC1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#CC1CC1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#Cc1ccccc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(OC(F)(F)F)cc1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(OC(F)(F)F)cc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#CC(C)(C)O)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#CC(C)(C)O)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccn1)c1nc2cccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccc(N)n1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnc(N)nc1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnc(N)nc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(N)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(N)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Nc1ncnc(N2CCCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#Cc1ccccn1
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#Cc1ccccn1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CCNS(=O)(=O)c1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#Cc1ccccn1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)S(N)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cncnc1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cncnc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccnc1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccnc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc2nc(N)sc2c1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
COc1cc(F)cc(c1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(ncn4)N)C#Cc5c[nH]nc5
C[C@H](Nc1ncnc(N)c1C#Cc1ccccn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(O)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(C)ccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(C#N)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(C)cccc2c(=O)n1-c1ccccc1 |r|
CCCCc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#Cc1ccc(F)cn1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(C)(C)C |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)-c1ccccc1 |r|
CCc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#Cc1ccc(F)cn1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(F)ccc(C)c2c(=O)n1-c1ccccc1 |r|
COc1cc(F)cc(c1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2c(F)ccc(F)c2c(=O)n1-c1ccccc1 |r|
COc1cc(F)cc(c1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2c(F)cccc2c(=O)n1-c1ccccc1 |r|
COc1cc(F)cc(c1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(C(F)F)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(C(F)F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(c2c(=O)n1-c1ccccc1)C(F)(F)F |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(C)ccc(F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(C(F)F)c2c(=O)n1-c1cccc(c1)C#N |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(C(F)F)c2c(=O)n1-c1cccc(c1)C#N |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(F)ccc(C)c2c(=O)n1-c1cccc(c1)C#N |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2c(F)ccc(C)c2c(=O)n1-c1cccc(c1)C#N |r|
CC[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(C(F)F)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2c(F)ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(C(F)F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(C(F)F)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccc1F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
COc1cccnc1C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
COc1cccc(c1C)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#Cc1ncccc1F |r,wD:21.24,(1.33,8.09,;2.67,7.31,;2.67,5.77,;4,5,;4,3.46,;2.67,2.69,;1.33,3.46,;1.33,5,;,5.78,;,2.69,;,1.15,;-1.33,.38,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-5.33,2.69,;-4,3.46,;-4,5,;-2.67,2.69,;-1.33,3.46,;-1.33,5,;1.33,.38,;2.67,1.15,;1.33,-1.16,;2.67,-1.93,;4,-1.16,;5.33,-1.93,;5.33,-3.46,;4,-4.23,;4,-5.77,;2.67,-3.46,;1.33,-4.24,;,-5.01,;-1.33,-5.78,;-1.33,-7.31,;-2.67,-8.09,;-4,-7.31,;-4,-5.78,;-2.67,-5,;-2.67,-3.46,)|
C[C@H](Nc1ncnc(N)c1C#Cc1ncc(F)cc1F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C#N |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C#N |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2ccc(F)cc2c(=O)n1-c1cccc(c1)C#N |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2ccc(F)cc2c(=O)n1-c1cccc(c1)C#N |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2ccc(F)cc2c(=O)n1-c1cccc(Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2ccc(F)cc2c(=O)n1-c1cccc(Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(F)c2c(=O)n1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2c(F)cccc2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(F)c2c(=O)n1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(C)c2c(=O)n1-c1cccc(F)c1 |r|
CC[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
CC[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccc1)c1nc2cccc(F)c2c(=O)n1-c1cccc(c1)C#N |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccc1)c1nc2cccc(F)c2c(=O)n1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccc1)c1nc2cccc(c2c(=O)n1-c1ccccc1)S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(c2c(=O)n1-c1ccccc1)S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccc1)c1nc2cccc(C#N)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(F)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccccc1)c1nc2cccc(F)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(C)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(C)c2c(=O)n1-c1cncc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1N1CCOCC1 |r|
COc1cc(F)cc(c1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1N1CCOCC1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(CNS(C)(=O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1C1C[C@@H]2CC[C@H](C1)N2C |r,THB:38:37:30.31.36:34.33|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1C1C[C@@H]2CC[C@H](C1)N2C |r,THB:38:37:30.36.31:33.34|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1N1CCCCCC1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(C)c2c(=O)n1-c1cccc(CN(C)S(C)(=O)=O)c1 |r|
C[C@H](N(C)c1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(CN(C)S(C)(=O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(CNS(C)(=O)=O)c1 |r|
CC(C)CS(=O)(=O)NCc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#Cc1ccc(F)cn1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(cn1)C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(C)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(cn1)C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(cn1)C(N)=O)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(cn1)C(N)=O)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
CC(C)OC(=O)c1ccc(nc1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(cn1)C(O)=O)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Nc1ncnc(N[C@H](CO)c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#Cc1ccc(F)cn1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)c(C)n1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccc(C)n1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccc1C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccc1C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#CC1CCCC1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#CC1CCCCC1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
COC[C@@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cc(C)ccn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cc(ccn1)C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cc(ccn1)C(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CCc1ccnc(c1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccc(n1)C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccc1C(C)=O)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccc(n1)C(C)=O)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cc(CO)ccn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccc(CO)n1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cc(ccn1)C(N)=O)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC(O)c1cccc(n1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
COC(=O)c1ccnc(c1)C#Cc1c(N)ncnc1N[C@@H](C)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccc(CN)n1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cc(ccn1)C(O)=O)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccc(c1)C(C)=O)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cccc(CO)c1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ncccc1CO)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(C)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1 |r|
Nc1ncnc2n(Cc3nc4cccc(C#C)c4c(=O)n3Cc3ccccc3Cl)nc(-c3cccc(O)c3)c12
Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(O)=O)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(=O)N5CCOCC5)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
COc1cccc(Cn2c(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)nc3cccc(C#C)c3c2=O)c1
COCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3cccc(c3)C(F)(F)F)c(=O)c12
CC(C)NC(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4ccc(O)cc4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
Nc1ncnc2n(Cc3nc4cccc(C#CCCCC(=O)N5CCCC5)c4c(=O)n3Cc3ccccc3Cl)nc(-c3ccc(O)cc3)c12
C[C@H](Nc1ncnc(N)c1-c1nnn[nH]1)c1nn2cccc2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1nccs1)c1nn2cccc2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1ccc(N)nc1)c1nn2cccc2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cnn(CCO)c1)c1nn2cccc2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(F)c1)c1nn2cccc2c(=O)n1-c1ccccc1
COc1ncc(cc1NS(C)(=O)=O)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(Br)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1ccc2cc[nH]c2c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cnc(N)nc1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Nc1ncnc(N[C@@H](CCOCc2ccccc2)c2nn3ccc(C#N)c3c(=O)n2-c2cc(F)cc(F)c2)c1C#N
Nc1ncnc(N[C@@H](CCSCc2ccccc2)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
Nc1ncnc(N[C@@H](CCOc2ccccc2)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Nc1ncnc(N[C@@H](CCOCc2ccccc2)c2nn3ccc(C#N)c3c(=O)n2-c2cc(F)cc(F)c2)c1-c1cc(O)cc(F)c1
C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(c1)C(F)(F)F)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(F)c1)c1nn2ccc(Sc3ccccc3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncncc1-c1cc(O)cc(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(C(=O)OCc3ccccc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
COc1cccc(Cc2ccn3nc([C@H](C)Nc4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)c1
C[C@H](Nc1ncnc2[nH]cc(Cc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
COc1ncc(cc1NS(C)(=O)=O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12
C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ncc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2sccc12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1Cc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(Cc3cccc(O)c3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(c3)N(C)C)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(Cc3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(C#Cc3ccccc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(Sc3ccc(O)c(F)c3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1C(=O)Nc1ccc(O)c(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N3CCOCC3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(C(=O)NCCc3cn[nH]c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
COc1ncc(cc1NS(=O)(=O)C(F)(F)F)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(Sc3ccc(O)cc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1C(=O)Nc1cc(ccc1O)C(N)=O)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cccc(Cl)c3O)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cccc(NS(=O)(=O)c2ccc(O)cc2)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cnn(CCN(C)C)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cncc(c1)C(F)(F)F)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cnn(CCO)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@@H](Nc1ncnc(N)c1C(=O)N1CC[C@H](O)C1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
CCNc1nnc(s1)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12
C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(=O)(=O)c4ccc(O)cc4)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cncc(OC(F)F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
CC(C)N1CCN(CC1)C(=O)CCCC#Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12
C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(NS(=O)(=O)c2ccc(F)cc2F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cncc(OCC(F)(F)F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
COc1cc(cc(n1)C(F)(F)F)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cnc4[nH]ccc4c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cnn(CCCO)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3ccn(CCN4CCOCC4)n3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3ccn(CC(F)(F)F)n3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
COc1cc(cc(c1)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12)C#N
C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(=O)(=O)CCN(C)C)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cc(nn3C)C(F)(F)F)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3ccn(CC(C)(C)CO)n3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(c1)C(=O)N(C)C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
COc1ncc(cc1NS(=O)(=O)c1ccc(O)cc1)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3ccn(Cc4ccccc4O)n3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1ccc(cc1)N1CCNCC1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3ccn(n3)-c3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc4[nH]ccc34)c12)c1nn2cccc2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cccc(c1)C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Cc1ccn2nc(CNc3ncnc(N)c3-c3cncc(c3)C(F)F)n(-c3ccccc3)c(=O)c12
C[C@H](Nc1ncnc(N)c1-c1cc(O)c2ccn(c2c1)S(=O)(=O)c1ccc(O)cc1F)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NC(N)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(OS(C)(=O)=O)c3)c12)c1nn2cccc2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc4[nH]ncc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
COc1ccc(cc1)S(=O)(=O)n1ncc2ccc(cc12)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
CCOc1ncc(cc1NS(=O)(=O)c1ccc(O)cc1)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cccc(c3)-c3nnc(C)o3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cc(NS(=O)(=O)c2ccc(O)cc2)c2cc[nH]c2c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1C(=O)Oc1cc(O)cc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
COc1ccc(cc1)S(=O)(=O)n1ccc2ccc(cc12)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)c4cc[nH]c4c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
CCNc1ncc(cc1NS(=O)(=O)c1ccc(O)cc1)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc(c3)C(=O)N(C)C)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3ccnc(c3)N3CCC(CC3)N(C)C)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3ccc(NS(=O)(=O)N(C)C)cc3O)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
[2H]C([2H])([2H])n1nccc1-c1nc(cnc1N)-c1cc(ccc1C)[C@](O)(CO)C(F)(F)F |r|
[2H]C([2H])([2H])n1nccc1-c1nc(cnc1N)-c1cc(ccc1C)[C@@](O)(CO)C(F)(F)F |r|
Cc1ccc(C(O)(CO)C(F)(F)F)cc1c3cnc(N)c(c2cnn(C)c2)n3
Cc3cc(c2nc(c1cc(C(O)(CO)C(F)(F)F)ccc1C)cnc2N)on3
Cc1ccc(C(O)(CO)C(F)(F)F)cc1c3cnc(N)c(c2cnsc2)n3
Cc1ccc(C(O)(CO)C(F)(F)F)cc1c3cnc(N)c(c2ccns2)n3
Cc3cc(c2nc(c1cc(C(O)(CO)C(F)(F)F)ccc1C)cnc2N)sn3
Cc3cc(c2nc(c1cc([C@](O)(CO)C(F)(F)F)ccc1C)cnc2N)sn3
Cc1ncc(o1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(CO)C(F)(F)F
Cc1ccc(C(O)(CO)C(F)(F)F)cc1c3cnc(N)c(c2cnc(C)s2)n3
Cc1ccc(C(O)(CO)C(F)(F)F)cc1c3cnc(N)c(c2cnco2)n3
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cccn1)C(O)(CO)C(F)(F)F
Cc1ccc(C(O)(CO)C(F)(F)F)cc1c3cnc(N)c(n2ccnn2)n3
Cc1ccc([C@](O)(CO)C(F)(F)F)cc1c3cnc(N)c(n2nccn2)n3
Cc1ccc([C@](O)(CO)C(F)(F)F)cc1c3cnc(N)c(n2ccnn2)n3
[2H]C([2H])([2H])c1ccc(cc1-c1cnc(N)c(n1)-c1cnc(C)o1)C(O)(CO)C(F)(F)F
[2H]C([2H])([2H])c1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CCOCC1)C(O)(CO)C(F)(F)F
[2H]C([2H])([2H])c1ccc(cc1-c1cnc(N)c(n1)C(=O)NC12CCC(O)(CC1)C2)C(O)(CO)C(F)F
[2H]C([2H])([2H])c1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CCOCC1)C(O)(C(C)O)C(F)(F)F
[2H]C([2H])([2H])c1ccc(cc1-c1cnc(N)c(n1)-c1c[nH]nc1C)C(O)(C(O)C(F)(F)F)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CCOCC1)C(O)(C(C)(C)O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C1CN(C1)S(=O)(=O)c1ccn(C)n1)C(O)(CO)C(F)(F)F
Cc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc(N)c(C2CC(C(=O)N3CC(O)C3)C2)n1
Cc1ccc(cc1-c1cnc(N)c(n1)C(F)(F)F)C(O)(CO)C(F)(F)F
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1c3cnc(N)c(C(=O)NC2CC(C#N)C2)n3
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1c3cnc(N)c(C(=O)N[C@H]2CCCC[C@@H]2O)n3
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1c3cnc(N)c(C(=O)N[C@@H]2CCOC[C@H]2O)n3
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1c3cnc(N)c(C(=O)NC2CC(O)(C(F)(F)F)C2)n3
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1c3cnc(N)c(C(=O)NC2(C)CC(O)C2)n3
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1c4cnc(N)c(C(=O)NC23CCC(CO)(C2)C3)n4
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1C1=CNC(N)C(C(=O)NC23CC(CO)(C2)C3)=N1
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1C1=CNC(N)C(C(=O)N[C@@H](C)CO)=N1
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1C1=CNC(N)C(C(=O)NCC(C)(C)C#N)=N1
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1C1=CNC(N)C(C(=O)NC23CCC(O)(CC2)C3)=N1
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1C1=CNC(N)C(C(=O)N[C@H](C)CO)=N1
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)(F)F)cc1c4cnc(N)c(C(=O)NC23CCC(O)(C2)C3)n4
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)F)cc1C3=C=NC(N)C(C(=O)N[C@H]2CCCC[C@@H]2O)=N3
[2H]C([2H])([2H])c1ccc([C@](O)(CO)C(F)F)cc1C3=C=NC(N)C(C(=O)N[C@@H]2CCCC[C@H]2O)=N3
[2H]C([2H])([2H])c1ccc(C(O)(CO)C(F)F)cc1-c1cnc(N)c(C(=O)NC23CCC(C#N)(C2)C3)n1
[2H]C([2H])([2H])c1ccc(C(O)(CO)C(F)F)cc1-c1cnc(N)c(C(=O)NC2CCOCC2)n1
Cc1ccc(C(O)(CO)C(F)F)cc1-c1cnc(N)c(C(=O)NC2CCOCC2)n1
Cc1ccc([C@](O)(CO)C(F)F)cc1c2cnc(N)c(C(=O)N[C@@H](C)CO)n2
Cc1ccc(C(O)(CO)C(F)F)cc1c4cnc(N)c(C(=O)NC23CCC(O)(CC2)C3)n4
Cc1ccc([C@](O)(CO)C(F)F)cc1c3cnc(N)c(C(=O)N2CCC[C@@H]2CO)n3
Cc1ccc([C@](O)(CO)C(F)F)cc1c2cnc(N)c(C(=O)NC(C)C)n2
Cc1ccc([C@](O)(CO)C(F)F)cc1c3cnc(N)c(C(=O)NC2(C)CCOC2)n3
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC12CC(C1)(CC2)C#N)C(O)(CO)C(F)F |(1.49,5.45,;2.6,6.52,;2.23,8.02,;3.33,9.09,;4.81,8.67,;5.19,7.17,;4.08,6.1,;4.46,4.61,;5.94,4.18,;6.31,2.69,;5.2,1.62,;5.58,.13,;3.72,2.04,;3.35,3.54,;2.62,.97,;1.14,1.39,;2.99,-.52,;1.88,-1.59,;.23,-2.75,;1.78,-3.06,;1.18,-.22,;3.13,-3.79,;3.15,-2.29,;1.25,-4.51,;.73,-5.96,;5.92,9.74,;6.99,8.63,;4.85,10.84,;5.27,12.32,;7.03,10.81,;6.65,12.3,;8.51,10.38,)|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1ncnc2[nH]nnc12)c1nc2c(F)cccc2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1ncnc2occc12)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cn1 |r|
Nc1cnc(cn1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
Nc1cnc(cn1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
Nc1cnc(cn1)-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cnc(N)cn1 |r|
Nc1cnc(cn1)-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cc(F)cc2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)cc(F)cc2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cnc(N)cn1 |r|
C[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cn1 |r|
Nc1cnc(cn1)-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1Cl)C1CC1 |r|
Nc1cnc(cn1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1Cl)C1CC1 |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cnc(N)cn1 |r|
CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1
Cc1nc(N)ncc1-c1nc(nc2c(CN3CCN(CC3)S(C)(=O)=O)csc12)N1CCOCC1
CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2ccc(N)nc2)CC1
CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc(O)c2)CC1
CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cncnc2)CC1
CC(C)(O)C1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
C[C@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1 |r|
C[C@@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1 |r|
CC(C)(O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1
C[C@@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2C)CC1 |r|
C[C@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2C)CC1 |r|
C[C@@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1 |r|
C[C@H](O)C(=O)N1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1 |r|
C[C@@H](O)C(=O)N1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(N)nc2)CC1 |r|
OCC(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1
C[C@H](O)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ncc23)CC1 |r|
Nc1ncc(cn1)-c1nc(nc2c(CN3CCN(CC3)C(=O)CO)csc12)N1CCOCC1
Cc1sc2c(nc(nc2c1CN1CCN(CC1)C(=O)CO)N1CCOCC1)-c1cnc(N)nc1
Cc1sc2c(nc(nc2c1CN1CCN(CC1)S(C)(=O)=O)N1CCOCC1)-c1cccc2[nH]ncc12
Nc1ncc(cn1)-c1nc(nc2ccoc12)N1CCOCC1
CN(CO)Cc1csc2c(nc(nc12)N1CCOCC1)-c1cnc(N)nc1
Cc1sc2c(nc(nc2c1CN1CCN(CCO)CC1)N1CCOCC1)-c1cnc(N)nc1
O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Cc1nnc2[C@@H](N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1)C(=O)OC(C)(C)C |c:6|
O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
COC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
ONC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1ccncc1
CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
OC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
CC(C)(C)c1cc(NC(=O)Nc2cccc(c2)-c2csc3c2oc(cc3=O)N2CCOCC2)no1
FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2csc3c2oc(cc3=O)N2CCOCC2)ccc1Cl
O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCSCC1
CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCSCC1
Brc1csc2c1oc(cc2=O)N1CCOCC1
Brc1csc2c1oc(cc2=O)N1CCSCC1
O=c1cc(oc2ccsc12)N1CCOCC1
O=c1cc(oc2c(csc12)-c1ccccc1)N1CCOCC1
Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2nccc(-c3ccncc3)c2c1
CC(=O)Nc1nc2ccc(cc2s1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2ccc(cc2s1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2ccc(cc2o1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1ccc2cc(ccc2n1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3ccncc3)n2c1
Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1ccc2oc(N)nc2c1
Nc1nsc2ccc(cc12)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nsc2cc(ccc12)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2cc(ccc2o1)-c1cc2nccc(-c3ccncc3)c2s1
Nc1nc2cccc(-c3ccc4nccc(-c5ccncc5)c4c3)c2o1
Nc1noc2cc(ccc12)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2cccc(-c3ccc4nccc(-c5ccncc5)c4c3)c2s1
Nc1noc2ccc(cc12)-c1ccc2nccc(-c3ccncc3)c2c1
CC(=O)Nc1cn2cc(ccc2n1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2nccc(-c3cn[nH]c3)c2c1
CN1CCN(CC1)c1ccnc2ccc(cc12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncnc(N3CCOCC3)c2c1
CN1CCN(CC1)c1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncnc(NC3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1c[nH]c2nccc(-c3ccncc3)c12
Cn1cc(cn1)-c1ccnc2ccc(cc12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2nccc(CCN3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2nccc(N3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncnc(N3CCC(O)CC3)c2c1
CN1CCN(CC1)c1cc(ccn1)-c1ccnc2ccc(cc12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2nccc(-c3cccnc3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2nccc(NC3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2nccc(NCCN3CCOCC3)c2c1
CN1CCC(CC1)Oc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3cccnc3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3cn[nH]c3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C#CC3CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2nccn2c1
Cn1cc(cn1)-c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)c1ccc(cn1)-c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C#N)c(-c3ccncc3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncnc(OC3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(OC3CCOCC3)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3ccc4nc(N)oc4c3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3ccc(nc3)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3ccnc(c3)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CCOCC3)c(=O)c2c1
Cc1nc2ccc(nn2c1-c1ccncc1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(N3CCOCC3)n2n1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3cccnc3)n2n1
CC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1cnc2ncc(-c3ccncc3)n2c1
Nc1nc2cc(ccc2o1)-c1ccn2ncc(-c3ccncc3)c2n1
Nc1nc2ccc(cc2o1)-c1ccc2ncn(C3CCOCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCOCC1
CC(=O)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CS(=C)(=O)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1cn2c(cnc2cn1)-c1ccncc1
Nc1nc2cc(ccc2o1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
Nc1nc2cc(ccc2s1)-c1ccc2nccc(-c3ccncc3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1ccncc1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(=O)[nH]c2c1
CCN1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
CC(C)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CCNCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1cccnc1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1cn[nH]c1
CN1CCN(CC1)c1nc2cc(ccc2c(=O)n1C)-c1ccc2oc(N)nc2c1
Cn1c(nc2cc(ccc2c1=O)-c1ccc2oc(N)nc2c1)N1CCOCC1
CN1CCC(CC1)Nc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(=O)N1CCC(CC1)Nc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NC3CCOCC3)n2c1
CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCNCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncnc(NC3CCN(CC3)C(=O)C3CC3)c2c1
CS(=O)(=O)CCN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)c1c(C)nc2ccc(cn12)-c1ccc2oc(N)nc2c1
Cc1nc2ccc(cn2c1C(=O)N1CCOCC1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2c1)C#N
Cn1cc(cn1)-c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCC(CC1)Nc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NC3CCOCC3)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2c1)C(=O)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCS(=O)(=O)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCC(O)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CCO)CC1
CC(C)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CC(C)(C#N)c1ccc(Nc2ncnc3ccc(cc23)-c2ccc3oc(N)nc3c2)cc1
CN(C)CC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(nn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2n1
C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCS(=O)(=O)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1cnn(CCO)c1
Nc1nc2cc(ccc2o1)-c1ccc(cc1)-c1ccc2ncc(n2c1)S(=O)(=O)N1CCOCC1
CN1CCN(CC1)S(=O)(=O)c1cnc2ccc(cn12)-c1ccc(cc1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCNCC3)n2c1
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC(=O)N1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2ccc(cc2s1)-c1ccc2ncc(nc2c1)N1CCOCC1
CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2nc(N)sc2c1
Nc1nc2cc(ccc2s1)-c1ccc2ncc(nc2c1)N1CCOCC1
Nc1nc2ccc(cc2o1)-c1ccc2ncc(nc2c1)N1CCOCC1
CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2nc(N)oc2c1
CCOC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CNC(=O)CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)C1CCCN1
Nc1nc2cc(ccc2o1)-c1cn2c(cnc2cn1)C(=O)N1CCOCC1
CN1CCN(CC1)C(=O)c1cnc2cnc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2ccc(cc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2ccc(cc2s1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(ccc2s1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2sc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NC3CC[C@H](O)CC3)nc2c1 |r,wU:21.23,(6.65,-3.77,;5.88,-2.44,;4.34,-2.28,;4.02,-.77,;2.69,,;2.69,1.54,;4.02,2.31,;5.36,1.54,;5.36,,;6.5,-1.03,;1.36,2.31,;1.36,3.85,;.02,4.62,;-1.31,3.85,;-2.64,4.62,;-3.98,3.85,;-3.98,2.31,;-5.31,1.54,;-5.31,,;-6.65,-.77,;-6.65,-2.31,;-5.31,-3.08,;-5.31,-4.62,;-3.98,-2.31,;-3.98,-.77,;-2.64,1.54,;-1.31,2.31,;.02,1.54,)|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc3oc(N)nc3c2)CC1
CC(=O)Nc1nc2ccc(cc2s1)-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
CC1CN(CC(C)N1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
C[C@H]1CN(C[C@@H](C)O1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NCCN3CCOCC3)nc2c1
CC(N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCNC(=O)C1
CN1CCCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN(C1CCN(CC1)C(C)=O)c1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN1CC(C1)C(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN(C)CC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CCN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC1CN(CC(C)N1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NC3CC[C@H](O)CC3)n2c1 |r,wU:23.25,(5.65,-3.53,;4.88,-2.2,;3.35,-2.04,;3.03,-.53,;1.7,.24,;1.7,1.78,;3.03,2.55,;4.37,1.78,;4.37,.24,;5.51,-.79,;.36,2.55,;.36,4.09,;-.97,4.86,;-2.3,4.09,;-3.77,4.56,;-4.67,3.32,;-3.77,2.07,;-4.17,.59,;-5.65,.19,;-3.08,-.5,;-1.99,-1.59,;-2.39,-3.08,;-1.3,-4.17,;.19,-3.77,;1.28,-4.86,;.59,-2.28,;-.5,-1.19,;-2.3,2.55,;-.97,1.78,)|
CN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2sc(N)nc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2nc(N)oc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2nc(N)sc2c1
CC(=O)NC1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCN(CCO)CC3)n2c1
CC1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1ccnc(c1)N1CCOCC1
CN(C1CCN(C)CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC2CC2)CC1
CNC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN(C1CCN(C)CC1)c1ncnc2ccc(cc12)-c1ccc2oc(N)nc2c1
CN1CC(C1)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)C(=O)N1CCOCC1
CN1CCC(CC1)NC(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCN(CC4CC4)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(O)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(CC3)N3CCOCC3)n2c1
CC1CN(CCN1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN(C1CCN(C)CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN(CCN1CCOCC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1ccc(nc1)N1CCOCC1
NC1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)C(=O)N1CCOCC1
CN1CCN(CC1)C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCC(CC1)N1CCOCC1
CN(C)C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC1CN(CCO1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1nccn1-c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCCCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCCC1
Cc1cn(cn1)-c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1ccccc1
CS(=O)(=O)CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(C)(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCn1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(CCO)c(=O)c2c1
Cc1ncccc1-c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NC3CC3)n2c1
CCNC(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NCCO)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)Nc3cccnc3)n2c1
CC(C)(C)N1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
NCC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
COC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1ccc(cn1)-c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1ccccn1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCCCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC3)n2c1
CS(=O)(=O)CCN1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CS(=O)(=O)CCN1CCC(CC1)NC(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(O)C3)n2c1
CC1CN(CCO1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(O)C3)n2c1
CN1CCC(CC1)NC(=O)c1cnc2ccc(nn12)-c1ccc2oc(N)nc2c1
NC1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CCC3)c(=O)c2c1
CC(C)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
C[C@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCC(O)C1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)-c1cnc(N)nc1
CC(=O)N1CCC(CC1)Nc1ncnc2ccc(nc12)-c1ccc2oc(N)nc2c1
CN1CCC(CC1)Nc1ncnc2ccc(nc12)-c1ccc2oc(N)nc2c1
CC(C)(N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CNC(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)C(=O)NC1CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(O)C1
CCN(CC)CCNc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NCCN3CCCC3)nc2c1
CCN(CC)CCCNc1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NCCCN3CCCC3)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(NCCCN3CCOCC3)nc2c1
Cc1ccn(n1)C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCN(CC)CCn1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)C1(N)CC1
CN1CCN(CC1)C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2nnc(-c3ccncc3)n2c1
Nc1nc2ccc(cc2o1)-c1ccc2nnc(-c3ccncc3)n2c1
CC(=O)Nc1cc2ccc(cc2s1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2nc(N)sc2c1
Nc1nc2cc(ccc2o1)-c1cnc(N)nc1
CC(=O)Nc1cn2cc(ccc2n1)-c1ccc2oc(N)nc2c1
CC(=O)Nc1ncc(s1)-c1ccc2oc(N)nc2c1
COc1nc(cnc1N)-c1ccc2oc(N)nc2c1
CC(Oc1nc(cnc1N)-c1ccc2oc(N)nc2c1)C(F)(F)F
Nc1nc2cc(ccc2o1)-c1ccc2oc(N)nc2c1
Nc1nc2ccc(cc2o1)-c1ccc2oc(N)nc2c1
CC(=O)Nc1nc2ccc(cc2s1)-c1ccc2nc(N)oc2c1
Nc1nc2ccc(cc2o1)-c1ccc2nc(N)sc2c1
CC(=O)Nc1nc2cc(ccc2o1)-c1ccc2oc(N)nc2c1
Nc1cn2cc(ccc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2ccc(cc2o1)-c1ccc2nc(N)oc2c1
Nc1cn2cc(ccc2n1)-c1ccc2nc(N)oc2c1
Nc1nc2cc(ccc2o1)-c1ccc2sc(N)nc2c1
Nc1nc2ccc(cc2o1)-c1ccc2sc(N)nc2c1
CC(=O)Nc1nc2cc(ccc2s1)-c1ccc2oc(N)nc2c1
CC(=O)Nc1nc2cc(ccc2s1)-c1ccc2nc(N)oc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(CCN3CCCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C3CCCC3)c(=O)c2c1
NC(=O)[C@@H]1CCCN1c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
NC(=O)[C@H]1CCCN1c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
NC(=O)[C@@H]1CCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
NC(=O)[C@H]1CCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C1CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC[C@H](O)C1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCN(CC3)C3CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@H](O)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@@H](O)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(C3)N3CCOCC3)n2c1
C[C@@H]1CN(CCN1)C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1)C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CC(C)[C@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CC(C)[C@@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncn(CCCN3CCCC3)c(=O)c2c1
COCCn1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
CN1CCN(CC1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CCNc2cnc3ccc(cc3n2)-c2ccc3oc(N)nc3c2)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)C(=O)N1CCN(CC1)C1CC1
CN1CCN(CC1=O)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)CN1CCCC1
CCN(CC)CC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CCn2cnc3ccc(cc3c2=O)-c2ccc3oc(N)nc3c2)CC1
CCN(CC)CCCn1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2nnc(C(=O)N3CCOCC3)n2c1
NC(=O)[C@@H]1CCCN1C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
NC(=O)[C@H]1CCCN1C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CC(C)N1CCN(CC1)C(=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)C1(N)CCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)C(=O)N1CCN(CC2CC2)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NCCCN3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(CCN3CCOCC3)c(=O)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(CCCN3CCOCC3)c(=O)c2c1
CN1CCN(CCCn2cnc3ccc(cc3c2=O)-c2ccc3oc(N)nc3c2)CC1
CN(C)CCn1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NCCCN3CCCC3)n2c1
Cc1ccc(NC(=O)c2cnc3ccc(cn23)-c2ccc3oc(N)nc3c2)cn1
CCN(CC)CCNC(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)NCCN3CCCC3)n2c1
Cc1ccn(n1)C1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
N[C@@H](CO)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
N[C@H](CO)C(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2nnc(-c3cccnc3)n2c1
Nc1nc2ccc(cc2o1)-c1ccc2nnc(-c3cccnc3)n2c1
CCN(CC)CCCNC(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CN(C)C1CCN(CC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2ccc(cc2o1)-c1ccc2nnc(C(=O)N3CCCC3)n2c1
CN1CCN(CCNC(=O)c2cnc3ccc(cn23)-c2ccc3oc(N)nc3c2)CC1
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2sc(N)nc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2nc(N)sc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2nc(N)oc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1cccc2nc(N)oc12 |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc2oc(N)nc2c1 |r|
CC(=O)Nc1nc(C)c(s1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCN(CC1)C1CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CC[C@@H](O)C1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N(CCO)CCO)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncn(C(=O)N3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)n1cccn1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)n1ccnc1
Cc1ccn(n1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1cccc2c(N)nsc12 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CC[C@H](O)C1 |r|
CN1CCN(CC1=O)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCN(CC)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCNC(=O)C1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCNCC1
CC(=O)N1CCN(CC1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCN(CC1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CCN1CCN(CC1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2oc(N)nc2c1)N1CCOCC1
CC(C)N1CCN(CC1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
C[C@H]1CN(CCN1C)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCN(CCO)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCS(=O)(=O)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCN(CC2CC2)CC1
CC1(C)CN(CCN1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCC(CC1)n1cccn1
Cc1cn(cn1)C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1cn(cn1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCC(O)CC1
C[C@H]1CN(CCN1)c1cnc2cccc(-c3ccc4oc(N)nc4c3)c2n1 |r|
C[C@H]1CN(CCN1)c1cnc2cccc(-c3ccc4nc(N)oc4c3)c2n1 |r|
Cc1nccn1C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCC(CC1)n1ccnc1
Nc1nc2cc(ccc2o1)-c1ccn2ncc(C(=O)N3CCCC3)c2c1
Nc1nc2cc(ccc2o1)-c1ccn2ncc(C(=O)N3CCOCC3)c2c1
Nc1nc2cc(ccc2o1)-c1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1
Cc1c(ccc2ncc(C(=O)N3CCOCC3)n12)-c1ccc2oc(N)nc2c1
C[C@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1cc2nc(N)oc2cc1C |r|
Cc1cc2oc(N)nc2cc1-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Cc1cc2oc(N)nc2cc1-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Cc1nccn1C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
C[C@@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccn2ncc(-c3ccncc3)c2c1
Cc1cc(cc2c(cnn12)C(=O)N1CCOCC1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(cc(Cl)c2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Nc1nc2cc(cc(Cl)c2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(cc(F)c2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(cc(F)c2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Cc1c(ccc2oc(N)nc12)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
C[C@H]1CN(CCN1)c1cnc2ccc(cc2n1)-c1cccc2c(N)noc12 |r|
Cc1cc(cc2nc(N)oc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Cc1cc(cc2nc(N)oc12)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
CN(C)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
NC1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1cc(cc2c(cnn12)C(=O)N1CCCC1)-c1ccc2oc(N)nc2c1
Cc1c(ccc2oc(N)nc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(c(Cl)cc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(c(Cl)cc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
Nc1nc2cc(c(F)cc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(c(F)cc2o1)-c1ccc2ncc(nc2c1)N1CC(C1)N1CCOCC1
C[C@H]1CN(CCN1)c1cnc2ccc(-c3ccc4oc(N)nc4c3)c(C)c2n1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC[C@@H](C1)N1CCOCC1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CC[C@H](C1)N1CCOCC1 |r|
CS(=O)(=O)N1CCN(CC1)C1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CN(C)[C@@H]1CCN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CN1CCN(CC1)[C@@H]1CCN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CN1CCN(CC1)[C@H]1CCN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
CN(C)[C@H]1CCN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1 |r|
Cc1c(ccc2ncc(nc12)N1CC(C1)N1CCOCC1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCNC(C1)C(F)(F)F
CN1CCC(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Cc1c(ccc2ncc(nc12)N1CC(C1)N1CCNCC1)-c1ccc2oc(N)nc2c1
COCCN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC1(C)CN(CCN1)C1CN(C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCNCC1=O
CCN1CCN(C(=O)C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(C(=O)C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC2CC2)CC1=O
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCn2cncc2C1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC(F)(F)F)CC1
Cc1cc(cc2c(cnn12)-c1ccncc1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccn2ncc(C(=O)N3CCC(CC3)N3CCOCC3)c2c1
C[C@H]1CN(CCN1)c1cnc2scc(-c3ccc4oc(N)nc4c3)c2c1 |r|
Nc1nc2cc(cnc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CC(=C)Nc1cc2ccc(cn2n1)-c1cc(F)c2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1nc2cc(cnc2s1)-c1cccnc1
C[C@H]1CN(CCN1)c1nc2cc(ccc2nc1N)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2nc(N)c(nc2c1)N1CC(C1)N1CCOCC1
CS(=O)(=O)Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CNc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1ccc2oc(Nc3ccccc3)nc2c1
CN1CCC(CC1)Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1ccc2oc(NC3CC3)nc2c1
Nc1ncc(cc1C(F)(F)F)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CC(Oc1nc(cnc1N)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1)C(F)(F)F
Nc1nc2nc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCNC(C1)C(F)F
COc1ncc(cc1N)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1F)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1cccc(F)c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CC(=O)n1nc(N)c2ccc(cc12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2[nH]nc(N)c2c1
Nc1nc2cc(ccc2o1)-c1ccc2c(N)n[nH]c2c1
COc1ccc(CNc2n[nH]c3cc(ccc23)-c2ccc3oc(N)nc3c2)cc1
CC(=O)Nc1n[nH]c2cc(ccc12)-c1ccc2oc(N)nc2c1
CC(=O)Nc1n[nH]c2ccc(cc12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1cc(F)c2oc(N)nc2c1
Nc1nc2ccc(cc2o1)-c1cc(F)c2oc(N)nc2c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cc(F)c2oc(N)nc2c1
CC(=O)Nc1nc2cc(ccc2s1)-c1cc(F)c2oc(N)nc2c1
Nc1nc2cc(cc(F)c2o1)-c1ccc2nc(N)sc2c1
Nc1nc2cc(cc(F)c2o1)-c1ccc2sc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1cc(F)c2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2ccc(cc2o1)-c1cc(F)c2ncc(C(=O)N3CCOCC3)n2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cccc(c1)S(=O)(=O)Nc1ccccc1
Fc1ccc(F)c(NS(=O)(=O)c2cccc(c2)-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)c1
CNS(=O)(=O)c1cccc(c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ccc(cc1S(=O)(=O)Nc1ccccc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CNS(=O)(=O)c1cc(ccc1OC)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CN1CCN(CC1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cncc(c1)S(=O)(=O)Nc1ccccc1
Cc1cc(cn2c(cnc12)C(=O)N1CCOCC1)-c1ccc2oc(N)nc2c1
Cc1cc(cn2c(cnc12)C(=O)N1CCOCC1)-c1ccc2nc(N)oc2c1
CNS(=O)(=O)c1cncc(c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cccc(c1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ccc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ccc(cc1NS(C)(=O)=O)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1cccc(c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Clc1ccc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CS(=O)(=O)Nc1cc(ccc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(ccc1Cl)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1cccnc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CO[C@H]1CCN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
CO[C@@H]1CCN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@@H](C3)N3CCOCC3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@H](C3)N3CCOCC3)n2c1 |r|
COC1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(F)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(C3)N3CC[C@H](O)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(C3)N3CC[C@@H](O)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(F)(F)C3)n2c1
CN(C1CCOCC1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(F)(F)C3)n2c1
Nc1nsc2c(cccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@@H](F)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@H](F)C3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@H](C3)n3cccn3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC[C@@H](C3)n3cccn3)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(C3)n3cccn3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3C4CCC3COC4)n2c1
C[C@@H]1CCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1COCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cccc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)c2o1
Nc1nc2cccc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)c2s1
CNc1noc2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1n[nH]c2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1noc2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1nsc2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1n[nH]c2c(cccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Nc1noc2c(cccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1ccc2N=NCc2c1 |c:24|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCn4cncc4C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC4(C3)OCCO4)n2c1
C[C@@H]1COCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2c(cccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
CNc1nsc2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOC[C@@H]3C)n2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(C3)N3CC(F)(F)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC4(C3)OCCO4)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(C3)N3CCC(F)(F)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(F)(F)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC(C3)N3CCC(F)(F)C3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCC(F)CC3)n2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CC4CCC(C3)O4)n2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1ccc2c(Nc3ccccc3)nsc2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cncc2[nH]ncc12
Cc1cc2ncc(C(=O)N3CCOCC3)n2cc1-c1ccc2oc(N)nc2c1
C[C@@H]1CN(CCN1C)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1ccc2c(Nc3ccccc3)noc2c1
C[C@H]1CN(CCN1)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1C)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |r|
CC1(C)CN(CCO1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC1(C)COCCN1C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
CC1(C)CN(CCN1)C1CC(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1 |(-.41,-6.08,;-1.74,-5.31,;-.41,-4.54,;-1.74,-3.77,;-3.08,-3,;-4.41,-3.77,;-4.41,-5.31,;-3.08,-6.08,;-3.08,-1.46,;-4.17,-.37,;-3.08,.72,;-1.99,-.37,;-4.17,1.81,;-5.65,1.41,;-3.77,3.29,;-4.67,4.54,;-3.77,5.79,;-2.3,5.31,;-.97,6.08,;.36,5.31,;.36,3.77,;-.97,3,;-2.3,3.77,;1.7,3,;3.03,3.77,;4.37,3,;4.37,1.46,;5.51,.43,;4.88,-.98,;5.65,-2.31,;3.35,-.82,;3.03,.69,;1.7,1.46,)|
Clc1ncc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)c2cn[nH]c12
COc1ncc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)c2cn[nH]c12
CC(C)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1
CC(C)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cncc(NS(C)(=O)=O)c1
CC(C)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncn(C3CCN(CC3)C(C)C)c(=O)c2c1
CC(C)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cnc(Cl)c(NS(C)(=O)=O)c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ncn(C3CCN(C)CC3)c(=O)c2c1
CN1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cnc(Cl)c(NS(C)(=O)=O)c1
CN1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CN1CC(C1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
C[C@H]1CN(CCN1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CCOCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)-c1cccnc1
CN1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CCOCC1
CCOC(=O)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2nc(cnc2n1)N1CCOCC1
CS(=O)(=O)N1CCN(CC1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CCOC(=O)N1CCC(=CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |c:8,(-2.64,-1.93,;-2.64,-3.47,;-3.98,-4.23,;-5.31,-3.47,;-6.65,-4.23,;-5.31,-1.93,;-3.98,-1.15,;-3.98,.38,;-5.31,1.15,;-6.65,.38,;-6.65,-1.15,;-3.98,1.93,;-3.98,3.47,;-2.64,4.23,;-1.31,3.47,;.02,4.23,;1.36,3.47,;1.36,1.93,;.02,1.15,;-1.31,1.93,;-2.64,1.15,;2.69,1.15,;4.02,1.93,;5.36,1.15,;5.36,-.38,;6.5,-1.42,;5.88,-2.82,;6.65,-4.16,;4.34,-2.66,;4.02,-1.15,;2.69,-.38,)|
C[C@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)C1=CCOCC1 |t:24,(6.65,-4.2,;5.88,-2.86,;4.34,-2.7,;4.02,-1.19,;2.69,-.42,;2.69,1.12,;4.02,1.89,;5.36,1.12,;5.36,-.42,;6.5,-1.45,;1.36,1.89,;1.36,3.43,;.02,4.2,;-1.31,3.43,;-2.64,4.2,;-3.98,3.43,;-3.98,1.89,;-2.64,1.12,;-1.31,1.89,;.02,1.12,;-5.31,1.12,;-6.65,.35,;-6.65,-1.19,;-5.31,-1.96,;-3.98,-1.19,;-3.98,.35,)|
C[C@@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CCC(F)(F)CC1
C[C@@H]1COCCN1c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1COCCN1c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)-c1cccnc1
CC1(C)CN(CCO1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CC1CN(CCO1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1C2CCC1COC2
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CC2CCC(C1)O2
C[C@H]1CN(CCN1C)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1C)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
CCN(CC)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
C[C@@H]1CN(CCN1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC2CCC(C1)O2
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CCNC(=O)C1
C[C@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H](N)C(=O)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
CC(C)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
NCC(=O)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CCNCC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CCN(CC2CC2)CC1
CC(C)(N)C(=O)N1CCN(CC1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CCN(CC1)C(=O)C1(N)CC1
CC(C)N1CCN(CC1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CCC(O)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CCN(CCO)CC1
C[C@H]1CN(CCN1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1COCCN1C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
Cc1nccn1C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1C2CCC1COC2
CC1(C)CN(CCN1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC(C1)N1CCOCC1
C[C@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@H]1CN(CCN1C)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
C[C@@H]1CN(CCN1C)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1 |r|
CC1(C)CN(CCN1)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC2CCC(C1)O2
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC(C1)N1CCN(CC2CC2)CC1
C[C@H]1COCCN1C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CCC(O)CC1
Cc1nccn1C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1=O)C1CN(C1)c1cnc2ccc(nc2c1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC(C1)N1CCN(CCO)CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC(C1)N1C2CCC1COC2
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2n1)N1CC(C1)N1CCN(CC1)C1CC1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(cc2n1)N1CC(C1)N1CCN(CC1)C1CC1
CN1CCN(CC1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CC(C)N1CCN(CC1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1cnc2ccc(nc2c1)N1CCOCC1
CCN1CCN(CC1)C1CN(C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CN1CC2CN(CC2C1)c1cnc2ccc(nc2n1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)c1ccc2ncc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1cnc2ccc(nc2c1)N1C2CCC1COC2
CC(C)(N)C(=O)N1CCN(CC1)c1ccc2ncc(cc2n1)-c1ccc2oc(N)nc2c1
CN(CC1CCN(C)CC1)c1nc2c(C)cccc2cc1CSc1ncnc2[nH]cnc12
CN(CC1CCCN1C)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
CN(CC1CCCCN1C)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
CN(CC1CCN(C)CC1)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Cc1cccc2cc(CNc3cccc4OCCOc34)c(nc12)-c1ccccc1Cl
COc1cccc(CNCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c1
COc1ccc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c(Cl)c1
Cc1cccc2cc(COc3ccc4OCOc4c3)c(nc12)-c1ccccc1Cl
COc1cc(O)cc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c1
COc1ccc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)cc1OC
COc1ccccc1NCc1cc2cccc(C)c2nc1-c1ccccc1Cl
Cc1cccc2cc(CNc3ncnc4[nH]cnc34)c(nc12)N1CCN2CCCCC2C1
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(nc12)N1CCC2CCCCC2C1
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(nc12)N1CCc2ccccc2C1
COc1ccc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)cc1
COc1ccc(OC(C)c2cc3cccc(C)c3nc2-c2ccccc2Cl)cc1
Cc1cccc2cc(CNc3cccc(O)c3)c(nc12)-c1ccccc1Cl
Cc1cccc2cc(CNc3ncnc4[nH]cnc34)c(nc12)N1CCc2ccccc2C1
CNCCN(C)c1nc2c(C)cccc2cc1CNc1ccc(OC)cc1
CNCCN(C)c1nc2c(C)cccc2cc1CN1CCOCC1
CNCCN(C)c1nc2c(C)cccc2cc1COc1cccc(O)c1
CNCCN(C)c1nc2c(C)cccc2cc1COc1ccc(OC)cc1
CNCCN(C)c1nc2c(C)cccc2cc1CNc1cccc(O)c1
COCCN(C)c1nc2c(C)cccc2cc1CNc1ncnc2[nH]cnc12
CCCCN(C)c1nc2c(C)cccc2cc1CNc1ncnc2[nH]cnc12
Cc1cccc2cc(CNc3ncnc4[nH]cnc34)c(nc12)N1CCCCC1
CN(CCN(C)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12)C(=O)Cn1cccn1
CNCCN(C)c1nc2c(C)cccc2cc1-c1nnc(o1)-c1nccnc1N
CN(CC1CCCN(C)C1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(CC1CCN(C)CC1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(CC1CCCN(C)C1)c1nc2c(C)cccc2cc1CNc1ncnc2[nH]cnc12
CN(CC1CCN(C)CC1)c1nc2c(C)cccc2cc1CNc1ncnc2[nH]cnc12
CN(CCN(C)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12)C(=O)Cn1ccnn1
CN(CCN(C)c1nc2c(C)cccc2cc1CNc1ncnc2[nH]cnc12)C(=O)Cn1ccnn1
CNCCN(C)c1nc2c(C)cccc2cc1CNc1ncnc2[nH]cnc12
Cc1cccc2cc(CNc3ncnc4[nH]cnc34)c(nc12)N1CCNCC1
CN(CC1CCCCN1C)c1nc2c(C)cccc2cc1CNc1ncnc2[nH]cnc12
CN(CC1CCCCN1C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CNCCN(C)c1nc2c(C)cccc2cc1CNC(=O)C1(CC1)C(=O)NC
CC(=O)N1CCN(CC1)c1nc2ccccc2nc1Nc1cccc(c1)C(N)=O
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)Cn1cnnn1
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)Cn1nc(C)nc1C
CN(C)C(=O)CNC1CCN(C1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCC(C1)NC(=O)Cn1ccnn1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N(Cc1cccnc1)Cc1cccnc1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N(Cc1ccccn1)Cc1ccccn1
CN(C)Cc1ccccc1-c1cc2c(C)cccc2nc1CNC(=O)c1nccnc1N
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)Cn1cccn1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(CCCO)nc12
CN(CCNC(=O)Cn1ccnn1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCN(CC1)C(=O)Cn1cnc2ccccc12
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCN(CC1)C(=O)Cn1ccnc1
Cc1nccn1CC(=O)N1CCCN(CC1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(C)C(=O)c1ccccc1-c1cc2ccccc2nc1CNC(=O)c1nccnc1N
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCN(Cc2cccn2C)CC1
Cc1ccc(CN2CCCN(CC2)c2nc3c(C)cccc3cc2CNC(=O)c2nccnc2N)o1
Nc1nccnc1C(=O)NCc1nc2ccccc2cc1-c1ccccc1CN1CCCCC1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCN(CC1)C(=O)Cn1ccnn1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCN(CC1)C(=O)Cn1nccn1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCN(Cc2nccn2C)CC1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCN(Cc2cncn2C)CC1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCN(Cc2cccnc2)CC1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCN(Cc2ccncc2)CC1
CN(C)C(=O)CN1CCCN(CC1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CCCN1CCC[C@@H]1C(=O)N(C)CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N |r|
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)Cc1ccccn1
CN(C)Cc1cccc(c1)-c1cc2ccccc2nc1CNC(=O)c1nccnc1N
Nc1nccnc1C(=O)NCc1nc2ccccc2cc1-c1ccccc1CN1CCOCC1
Nc1nccnc1C(=O)NCc1nc2ccccc2cc1-c1ccc(CN2CCOCC2)cc1
Nc1nccnc1C(=O)NCc1nc2ccccc2cc1-c1cccc(CN2CCOCC2)c1
CC(C)N1CCC[C@@H]1C(=O)N(C)CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N |r|
Cc1ccccc1-c1cc2ccccc2nc1CNC(=O)c1cnc(N)nc1
CC(NC(=O)c1nccnc1N)c1nc2ccccc2cc1-c1ccccc1C
CNC(=O)CN(C)CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)CC(=O)N1CCOCC1
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)c1cnccn1
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)c1ccncc1
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)c1cccnc1
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)c1ccccn1
CC(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)S(=O)(=O)c1ccc(C)cc1
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)Cc1cccnc1
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)CC#N
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)Cn1ccnc1
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)Cn1ccnc1C
CN(Cc1cccnc1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(CCc1ccccn1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)CC(=O)N(C)C
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)c1cnccn1
Nc1nccnc1C(=O)NCc1nc2ccccc2cc1-c1cscn1
CN(C)Cc1ccccc1-c1cc2ccccc2nc1CNC(=O)c1nccnc1N
Nc1nccnc1C(=O)NCc1nc2ccccc2cc1Br
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)Cn1nccn1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(NCc3cccnc3)nc12
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(NCCc3ccccn3)nc12
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(NCCc3cccnc3)nc12
CN(C1CCN(C)C1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(C1CCN(C)CC1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)Cn1ccnn1
CN(CCN(C)S(C)(=O)=O)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)[C@H]1CCCN1 |r|
COCCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
Cc1ccccc1-c1cc2ccccc2nc1CNC(=O)c1ncc(nc1N)N1CCOCC1
Cc1ccccc1-c1cc2ccccc2nc1CNC(=O)c1ncc(O)nc1N
Cc1ccccc1-c1cc2ccccc2nc1CNC(=O)c1ncc(Cl)nc1N
Cc1ccccc1-c1cc2ccccc2nc1CNC(=O)c1cncnc1N
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)CN1CCCC1
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)c1cncn1C
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)-n1ccnc1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)-n1cnc2ccccc12
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)[C@@H]1CCCN1C |r|
CN(C)CC(=O)N(C)CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)CN
CNCC(=O)N(C)CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CC(c1nc2ccccc2cc1-c1ccccc1C)n1nc(I)c2c(N)ncnc12
Cc1ccccc1-c1cc2c(C)cccc2nc1CNC(=O)c1nccnc1N
Cc1ccccc1-c1cc2c(C)cccc2nc1Cn1nc(I)c2c(N)ncnc12
Cc1ccccc1-c1cc2ccccc2cc1Cn1cnc2c(N)ncnc12
CN(CCO)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CNCCOc1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
C[C@@H]1CN([C@H](C)CN1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N |r|
CC(=O)N1CCN(CC1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(NCCO)nc12
CN(C1CCN(CC1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N)C(=O)OC(C)(C)C
CN(C)C1CCN(CC1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(C)CCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(C)CCNc1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CNCCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCNCC1
Cc1ccccc1-c1cc2ccccc2nc1CNc1cncnc1N
CNCCCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
Cc1ccccc1-c1nc2c(C)cccc2cc1Cn1nc(I)c2c(N)ncnc12
Cc1cccc2cc(CNc3ncnc4[nH]nc(I)c34)c(nc12)-c1ccccc1
CN(C)CC(=O)N(C)CCCN(C)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(C)CC(=O)N1CCCN(CC1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
CN(C)CCCNc1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCNCC1
CN1CCCN(CC1)c1nc2c(C)cccc2cc1CNC(=O)c1nccnc1N
Cc1ccccc1-c1cc2ccccc2nc1CNc1ncnc2[nH]nc(Br)c12
Cc1ccccc1-c1cc2ccccc2nc1CNC(=O)c1nccnc1N
CC(=O)N1CCN(CC1)c1nc2c(C)cccc2cc1CNc1ncnc2[nH]cnc12
CCN1CCN(CC1)c1nc2c(C)cccc2cc1CNc1ncnc2[nH]cnc12
Cc1ccccc1-c1cc2ccccc2nc1Cn1nc(I)c2c(N)ncnc12
CN1CCCN(CC1)c1nc2c(C)cccc2cc1CNc1ncnc2[nH]cnc12
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)N1CCCCC1
Cc1cccc2cc(CNC(=O)c3nccnc3N)c(nc12)-c1ccccc1Cl
CNCCN(C)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
CN1CC2CC1CN2c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12 |TLB:8:7:2.1:4,0:1:7.6:4|
Cc1ccccc1-n1c(CNC(=O)c2nccnc2N2CCOCC2)nc2cccc(C)c2c1=O |(,6.54,;,5,;-1.33,5.78,;-2.67,5,;-2.67,3.47,;-1.33,2.69,;,3.47,;1.33,2.69,;1.33,1.15,;,.38,;,-1.15,;-1.33,-1.93,;-2.67,-1.15,;-1.33,-3.47,;,-4.23,;,-5.78,;-1.33,-6.54,;-2.67,-5.78,;-2.67,-4.23,;-4,-3.47,;-4,-1.93,;-5.33,-1.15,;-6.67,-1.93,;-6.67,-3.47,;-5.33,-4.23,;2.67,.38,;4,1.15,;5.33,.38,;6.67,1.15,;6.67,2.69,;5.33,3.47,;5.33,5,;4,2.69,;2.67,3.47,;2.67,5,)|
CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2nc1-c1ccccc1Cl
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(NS(C)(=O)=O)nc12
Cc1cccc2cc(CNc3ncnc4[nH]cnc34)c(nc12)-c1ccccc1Cl
Cc1ccccc1-c1cc2ccccc2nc1CNc1ncnc2[nH]cnc12
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(NS(=O)(=O)c3ccccc3)nc12
Cc1ccccc1-n1c(CCN)nc2cccc(C)c2c1=O |(2,4.23,;2,2.69,;3.34,3.45,;4.67,2.69,;4.67,1.16,;3.34,.4,;2,1.16,;.67,.38,;.68,-1.16,;2.02,-1.92,;2.02,-3.46,;3.35,-4.23,;-.65,-1.94,;-1.99,-1.18,;-3.32,-1.96,;-4.66,-1.2,;-4.67,.34,;-3.34,1.12,;-3.35,2.66,;-2,.36,;-.67,1.14,;-.68,2.68,)|
COc1cc(O)cc(COc2cc3cccc(C)c3nc2-c2ccccc2C)c1
Cc1ccccc1-n1c(CNC(=O)c2nccnc2Cl)nc2cccc(C)c2c1=O |(-1.33,6.54,;-1.33,5,;-2.67,5.78,;-4,5,;-4,3.47,;-2.67,2.69,;-1.33,3.47,;,2.69,;,1.15,;-1.33,.38,;-1.33,-1.15,;-2.67,-1.93,;-4,-1.15,;-2.67,-3.47,;-1.33,-4.23,;-1.33,-5.78,;-2.67,-6.54,;-4,-5.78,;-4,-4.23,;-5.33,-3.47,;1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;4,5,;2.67,2.69,;1.33,3.47,;1.33,5,)|
Cc1ccccc1-n1c(CNC(=O)c2nc(Br)cnc2N)nc2cccc(C)c2c1=O |(-1.33,6.54,;-1.33,5,;-2.67,5.78,;-4,5,;-4,3.47,;-2.67,2.69,;-1.33,3.47,;,2.69,;,1.15,;-1.33,.38,;-1.33,-1.15,;-2.67,-1.93,;-4,-1.15,;-2.67,-3.47,;-1.33,-4.23,;-1.33,-5.78,;,-6.54,;-2.67,-6.54,;-4,-5.78,;-4,-4.23,;-5.33,-3.47,;1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;4,5,;2.67,2.69,;1.33,3.47,;1.33,5,)|
Cc1ccccc1-n1c(CNC(=O)c2ncccc2N)nc2cccc(C)c2c1=O |(-1.33,6.54,;-1.33,5,;-2.67,5.78,;-4,5,;-4,3.47,;-2.67,2.69,;-1.33,3.47,;,2.69,;,1.15,;-1.33,.38,;-1.33,-1.15,;-2.67,-1.93,;-4,-1.15,;-2.67,-3.47,;-1.33,-4.23,;-1.33,-5.78,;-2.67,-6.54,;-4,-5.78,;-4,-4.23,;-5.33,-3.47,;1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;4,5,;2.67,2.69,;1.33,3.47,;1.33,5,)|
Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2ccsc2c1=O |(-1.29,6.34,;-1.29,4.8,;-2.63,5.57,;-3.96,4.8,;-3.96,3.26,;-2.63,2.49,;-1.29,3.26,;.04,2.49,;.04,.95,;-1.29,.18,;-1.29,-1.36,;-.05,-2.27,;-.52,-3.73,;-2.06,-3.73,;-3.09,-4.87,;-2.62,-6.34,;-4.6,-4.55,;-5.08,-3.09,;-4.05,-1.95,;-2.54,-2.27,;1.37,.18,;2.71,.95,;4.17,.47,;5.08,1.72,;4.17,2.97,;2.71,2.49,;1.37,3.26,;1.37,4.8,)|
Cc1ccccc1-n1c(CSc2ncnc3nc[nH]c23)nc2ccsc2c1=O |(-1.18,6.22,;-1.18,4.68,;-2.52,5.45,;-3.85,4.68,;-3.85,3.14,;-2.52,2.37,;-1.18,3.14,;.15,2.37,;.15,.83,;-1.18,.06,;-1.18,-1.48,;-2.52,-2.25,;-3.85,-1.48,;-5.19,-2.25,;-5.19,-3.79,;-3.85,-4.56,;-3.53,-6.06,;-2,-6.22,;-1.37,-4.82,;-2.52,-3.79,;1.48,.06,;2.82,.83,;4.28,.36,;5.19,1.6,;4.28,2.85,;2.82,2.37,;1.48,3.14,;1.48,4.68,)|
CN1CCC(CC1)Nc1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(NC3CCOCC3)nc12
CC(=O)N1CCN(CC1)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
COCCNc1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Cc1ccccc1-c1c(Cn2cnc3c(N)ncnc23)nc2ccccc2c1C |(2.78,1.33,;2.78,2.87,;4.11,3.64,;4.11,5.18,;2.78,5.95,;1.44,5.18,;1.44,3.64,;.11,2.87,;.11,1.33,;1.44,.56,;1.44,-.98,;.2,-1.88,;.67,-3.35,;2.21,-3.35,;3.24,-4.49,;2.77,-5.95,;4.75,-4.17,;5.23,-2.7,;4.2,-1.56,;2.69,-1.88,;-1.22,.56,;-2.56,1.33,;-3.89,.56,;-5.23,1.33,;-5.23,2.87,;-3.89,3.64,;-2.56,2.87,;-1.22,3.64,;-1.22,5.18,)|
Cc1ccccc1-c1c(Cn2cnc3ncnc(N)c23)nc2ccccc2c1C |(2.78,.6,;2.78,2.14,;4.11,2.91,;4.11,4.45,;2.78,5.22,;1.44,4.45,;1.44,2.91,;.11,2.14,;.11,.6,;1.44,-.17,;1.44,-1.71,;.2,-2.61,;.67,-4.08,;2.21,-4.08,;3.24,-5.22,;4.75,-4.9,;5.23,-3.44,;4.2,-2.29,;4.67,-.83,;2.69,-2.61,;-1.22,-.17,;-2.56,.6,;-3.89,-.17,;-5.23,.6,;-5.23,2.14,;-3.89,2.91,;-2.56,2.14,;-1.22,2.91,;-1.22,4.45,)|
CC1CCCN1c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(nc12)N1CCCC1
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(nc12)N1CCNCC1
CN1CCN(CC1)c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Cc1ccccc1-n1c(CNC(=O)c2ccnc(N)c2)nc2cccc(C)c2c1=O |(-1.33,6.55,;-1.33,5.01,;-2.67,5.78,;-4,5.01,;-4,3.47,;-2.67,2.7,;-1.33,3.47,;,2.7,;,1.16,;-1.33,.39,;-1.33,-1.15,;-2.67,-1.92,;-4,-1.15,;-2.67,-3.46,;-1.33,-4.23,;-1.33,-5.77,;-2.67,-6.54,;-4,-5.77,;-5.33,-6.55,;-4,-4.23,;1.33,.39,;2.67,1.16,;4,.39,;5.33,1.16,;5.33,2.7,;4,3.47,;4,5.01,;2.67,2.7,;1.33,3.47,;1.33,5.01,)|
Cc1ccccc1-n1c(CNC(=O)c2nccnc2N)nc2cccc(C)c2c1=O |(-1.33,6.54,;-1.33,5,;-2.67,5.78,;-4,5,;-4,3.47,;-2.67,2.69,;-1.33,3.47,;,2.69,;,1.15,;-1.33,.38,;-1.33,-1.15,;-2.67,-1.93,;-4,-1.15,;-2.67,-3.47,;-1.33,-4.23,;-1.33,-5.78,;-2.67,-6.54,;-4,-5.78,;-4,-4.23,;-5.33,-3.47,;1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;4,5,;2.67,2.69,;1.33,3.47,;1.33,5,)|
Cc1ccccc1-n1c(CNC(=O)c2cccnc2N)nc2cccc(C)c2c1=O |(-1.33,6.54,;-1.33,5,;-2.67,5.78,;-4,5,;-4,3.47,;-2.67,2.69,;-1.33,3.47,;,2.69,;,1.15,;-1.33,.38,;-1.33,-1.15,;-2.67,-1.93,;-4,-1.15,;-2.67,-3.47,;-1.33,-4.23,;-1.33,-5.78,;-2.67,-6.54,;-4,-5.78,;-4,-4.23,;-5.33,-3.47,;1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;4,5,;2.67,2.69,;1.33,3.47,;1.33,5,)|
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(nc12)N1CCOCC1
Cc1ccccc1-c1cc2ccccc2nc1Cn1cnc2ncnc(N)c12
Cc1ccccc1-c1cc2ccccc2nc1Cn1cnc2c(N)ncnc12
Cc1cccc(c1C)-c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Cc1cccc(c1)-c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(nc12)-c1ccccc1C(F)(F)F
Cc1cccc(c1)-c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
COCCOc1cccc(c1)-c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
COc1cccc(c1)-c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(nc12)-c1ccccc1CO
Cc1cccc2cc(Cn3cnc4c(N)ncnc34)c(nc12)-c1ccccc1Cl
Cc1ccccc1-c1nc2c(C)cccc2cc1CSc1ncnc2[nH]cnc12
Cc1ccccc1-c1nc2c(C)cccc2cc1Cn1cnc2c(N)ncnc12
Cc1ccccc1-c1nc2ccccc2nc1Cn1cnc2c(N)ncnc12
Cc1ccccc1-c1nc2ccccc2cc1Cn1cnc2c(N)ncnc12
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CN(C)S(=O)(=O)c1cncc(c1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
O=C(C1CCOCC1)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)S(=O)(=O)N3CCOCC3)c2c1 |r|
Cc1ccc(cn1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
FC(F)(F)c1cncc(c1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
O=C(C1CCOCC1)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)C#N)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(nc3)S(C)(=O)=O)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(c3)C#N)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(c3)C(F)(F)F)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(F)c3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(Cl)c3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(C)c3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(N)c(OC)c3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(OC)c(c3)S(=O)(=O)N(C)C)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(OC)c(c3)S(C)(=O)=O)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(N)c(c3)C(F)(F)F)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(c3)S(=O)(=O)N3CCN(C)CC3)c2c1 |r|
Cc1cc(ccn1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COc1cc(ccn1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Nc1ncc(cc1C(F)(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(C)c(c3)S(=O)(=O)N3CCCCC3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)S(=O)(=O)N3CCOCC3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)S(=O)(=O)N3CCN(C)CC3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(OC)c(c3)S(=O)(=O)N(C)OC)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)S(=O)(=O)N(C)OC)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(OC)c(c3)S(=O)(=O)NOC)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)C#N)c2c1 |r|
COc1cncc(c1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Clc1cncc(c1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(OC)c(OC)c3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc4ccccc4c3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)S(C)(=O)=O)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)C(F)(F)F)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)S(=O)(=O)N(C)C)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(C)c(c3)C#N)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(OC)c(c3)C(F)(F)F)c2c1 |r|
FC(F)(F)c1ccc(cn1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CS(=O)(=O)c1ccc(cn1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCOc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(OC)c3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cncc(c3)S(=O)(=O)C(C)C)c2c1 |r|
CC(C)S(=O)(=O)c1cncc(c1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCS(=O)c1ccc(cn1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
COc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCC(F)(F)CC3)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)C3)cc12 |r|
COc1ncc(cc1C(F)(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12 |r,w:23.26|
CCOc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnn(C)c3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccn(C)n3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccncc3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cncnc3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cocn3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnco3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)C3)cc12 |r,w:23.26|
CC(C)S(=O)(=O)c1cncc(c1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12 |r|
COCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(c(C)c3)S(C)(=O)=O)c2c1 |r|
CC(C)C(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(c(C)c3)S(C)(=O)=O)c2c1 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccccc3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)C3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12 |r|
COCCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(c(C)c3)S(C)(=O)=O)c2c1 |r|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12 |r|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12 |r|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)C3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCOC3)cc12 |r|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCOC3)cc12 |r|
COCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(OC)c3)c2c1 |r|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)COS(C)(=O)=O)cc12 |r|
COCCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(OC)c3)c2c1 |r|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCCC3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@H]3CC[C@H](O)CC3)cc12 |r,wU:27.28,wD:20.20,30.32,(-4.06,3.13,;-5.4,2.36,;-5.4,.82,;-6.73,.05,;-8.07,.82,;-8.07,2.36,;-6.73,3.13,;-6.73,4.67,;-6.73,6.21,;-8.27,4.67,;-5.19,4.67,;-6.73,-1.49,;-8.07,-2.26,;-8.07,-3.8,;-6.73,-4.57,;-5.4,-3.8,;-4.06,-4.57,;-2.73,-3.8,;-2.73,-2.26,;-1.4,-1.49,;-.06,-2.26,;.41,-3.72,;1.95,-3.72,;2.43,-2.26,;1.18,-1.35,;3.92,-1.86,;4.31,-.37,;5,-2.95,;6.49,-2.55,;7.58,-3.64,;7.18,-5.12,;8.27,-6.21,;5.7,-5.52,;4.61,-4.43,;-4.06,-1.49,;-5.4,-2.26,)|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@@H]3CC[C@H](O)CC3)cc12 |r,wU:27.28,30.32,wD:20.20,(-4.06,3.13,;-5.4,2.36,;-5.4,.82,;-6.73,.05,;-8.07,.82,;-8.07,2.36,;-6.73,3.13,;-6.73,4.67,;-6.73,6.21,;-8.27,4.67,;-5.19,4.67,;-6.73,-1.49,;-8.07,-2.26,;-8.07,-3.8,;-6.73,-4.57,;-5.4,-3.8,;-4.06,-4.57,;-2.73,-3.8,;-2.73,-2.26,;-1.4,-1.49,;-.06,-2.26,;.41,-3.72,;1.95,-3.72,;2.43,-2.26,;1.18,-1.35,;3.92,-1.86,;4.31,-.37,;5,-2.95,;4.61,-4.43,;5.7,-5.52,;7.18,-5.12,;8.27,-6.21,;7.58,-3.64,;6.49,-2.55,;-4.06,-1.49,;-5.4,-2.26,)|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12 |r,w:25.28|
COc1cc(cnc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(Cl)c(OC)c3)c2c1 |r|
COc1cc(cnc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1cc(cnc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCO)cc12 |r|
Cc1cc(cnc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(Cl)c(C)c3)c2c1 |r|
Cc1cc(cnc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
Cc1cc(cnc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCO)cc12 |r|
COc1cc(cnc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
COc1cc(cnc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccc(=O)[nH]c3)cc12 |r|
Cc1cc(cnc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
Cc1cc(cnc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccc(=O)[nH]c3)cc12 |r|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@H]3CC[C@H](O)CC3)cc12 |r,wU:26.27,wD:19.19,29.31,(-1.8,1.93,;-3.13,2.69,;-4.47,1.93,;-4.47,.38,;-5.8,-.38,;-7.13,.38,;-7.13,1.93,;-5.8,2.69,;-5.8,4.23,;-7.13,5,;-5.8,-1.93,;-7.13,-2.69,;-7.13,-4.23,;-5.8,-5,;-4.47,-4.23,;-3.13,-5,;-1.8,-4.23,;-1.8,-2.69,;-.46,-1.93,;.87,-2.69,;1.34,-4.16,;2.88,-4.16,;3.36,-2.69,;2.11,-1.79,;4.85,-2.3,;5.94,-3.39,;5.25,-.81,;4.16,.28,;4.56,1.77,;6.04,2.17,;6.44,3.65,;7.13,1.08,;6.73,-.41,;-3.13,-1.93,;-4.47,-2.69,)|
Cc1cnccc1C(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(c(C)c3)S(C)(=O)=O)c2c1 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)Cc3ccncc3)cc12 |r|
CS(=O)(=O)c1ncc(cc1C(F)(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CS(=O)(=O)c1ncc(cc1C(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CS(=O)(=O)c1ncc(cc1CF)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Cc1cc(cnc1OC(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Cc1cc(cnc1OC(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
Cn1cnc(c1)C(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(c(c3)C(F)F)S(C)(=O)=O)c2c1 |r|
CS(=O)(=O)c1ncc(cc1C(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@@H]3CCOC3)cc12 |r|
CS(=O)(=O)c1ncc(cc1C(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@H]3CCOC3)cc12 |r|
CNc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CN(C)c1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CS(=O)(=O)c1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CC3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)S(=O)(=O)C3CCOCC3)cc12 |r|
CC(C)S(=O)(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(c(C)c3)S(C)(=O)=O)c2c1 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)S(=O)(=O)C3CC3)cc12 |r|
CCS(=O)(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(c(C)c3)S(C)(=O)=O)c2c1 |r|
CS(=O)(=O)c1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCS(=O)(=O)c1ccc(cn1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cncn3C)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCN(CC3)C(C)=O)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cc[nH]c(=O)c3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccc(=O)[nH]c3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccc(=O)n(C)c3)cc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(nc3)S(=O)(=O)CC)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(c(C)c3)S(C)(=O)=O)c2c1 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12 |r|
COCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(F)c3)c2c1 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cocn3)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)C3)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnco3)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cncnc3)cc12 |r|
COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)C3)cc12 |r|
COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCS(C)(=O)=O)cc12 |r|
COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCO)cc12 |r|
COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnco3)cc12 |r|
COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CC#N)cc12 |r|
COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CS(C)(=O)=O)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CS(C)(=O)=O)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCS(C)(=O)=O)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCO)cc12 |r|
COCCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(F)c3)c2c1 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CC#N)cc12 |r|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@H]3CC[C@H](O)CC3)cc12 |r,wU:25.26,wD:18.18,28.30,(-5.5,5.83,;-6.83,5.06,;-6.83,3.52,;-8.17,2.75,;-8.17,1.21,;-6.83,.44,;-5.5,1.21,;-5.5,2.75,;-4.17,3.52,;-6.83,-1.1,;-8.17,-1.87,;-8.17,-3.41,;-6.83,-4.18,;-5.5,-3.41,;-4.17,-4.18,;-2.83,-3.41,;-2.83,-1.87,;-1.5,-1.1,;-.17,-1.87,;.31,-3.34,;1.85,-3.34,;2.33,-1.87,;1.08,-.97,;3.81,-1.47,;4.21,.01,;4.9,-2.56,;6.39,-2.16,;7.48,-3.25,;7.08,-4.74,;8.17,-5.83,;5.59,-5.14,;4.5,-4.05,;-4.17,-1.1,;-5.5,-1.87,)|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@@H]3CC[C@H](O)CC3)cc12 |r,wU:25.26,28.30,wD:18.18,(-5.5,5.83,;-6.83,5.06,;-6.83,3.52,;-8.17,2.75,;-8.17,1.21,;-6.83,.44,;-5.5,1.21,;-5.5,2.75,;-4.17,3.52,;-6.83,-1.1,;-8.17,-1.87,;-8.17,-3.41,;-6.83,-4.18,;-5.5,-3.41,;-4.17,-4.18,;-2.83,-3.41,;-2.83,-1.87,;-1.5,-1.1,;-.17,-1.87,;.31,-3.34,;1.85,-3.34,;2.33,-1.87,;1.08,-.97,;3.81,-1.47,;4.21,.01,;4.9,-2.56,;4.5,-4.05,;5.59,-5.14,;7.08,-4.74,;8.17,-5.83,;7.48,-3.25,;6.39,-2.16,;-4.17,-1.1,;-5.5,-1.87,)|
COc1ncc(cc1C(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(nc3)S(=O)CC)c2c1 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@@H]3CCN(C3)C(C)=O)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
CCC(=O)N1CC[C@H](C1)Oc1ccc2OCCN(c3ccc(OC)nc3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3ccc(OC)nc3)c2c1 |r|
COc1ncc(cc1C#N)N1C(C)COc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r,w:11.12|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccnn3C)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccno3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn[nH]c3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CS(C)(=O)=O)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3nnc(C)o3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cncnc3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cncs3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnccn3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cccnc3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccncc3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn(C)nc3C)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CNC(=O)C3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3=CC(=O)CC(C)(C)O3)cc12 |r,t:28|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnn4cccnc34)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCC(=O)N3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12 |r,w:24.27|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCOC3)cc12 |r|
COc1ccc(cn1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CN3CCOCC3)cc12 |r|
COc1ccc(cn1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CN(C)C)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCN(CC3)C(C)=O)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CN(C)C)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C(C)C)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CC(C)(C)C)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CC(C)C)cc12 |r|
COC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(c3)C#N)c2c1 |r|
COCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(c3)C#N)c2c1 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCCC3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C(C)(C)O)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccc(=O)n(C)c3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cocn3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccn(C)c(=O)c3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ccc(=O)[nH]c3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cc[nH]c(=O)c3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CON(C3)C(=O)C3CCOCC3)cc12 |r|
CCC(=O)N1C[C@H](CO1)Oc1ccc2OCCN(c3cnc(OC)c(c3)C#N)c2c1 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@@H]3CON(C3)C(=O)C3CCOCC3)cc12 |r|
CCC(=O)N1C[C@@H](CO1)Oc1ccc2OCCN(c3cnc(OC)c(c3)C#N)c2c1 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CON(C3)C(=O)c3cn(C)cn3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnn(C)c3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOC3)cc12 |r|
COc1ccc(cn1)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cncn3C)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnco3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3ocnc3C)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)N3CCOCC3)cc12 |r|
COC1CCC(CC1)C(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(c3)C#N)c2c1 |r,wD:13.16,(8.9,-5.23,;8.51,-3.74,;7.02,-3.35,;5.93,-4.43,;4.44,-4.04,;4.04,-2.55,;5.13,-1.46,;6.62,-1.86,;2.56,-2.15,;2.16,-.66,;1.47,-3.24,;.56,-4.48,;-.9,-4.01,;-.9,-2.47,;.56,-1.99,;-2.24,-1.7,;-3.57,-2.47,;-3.57,-4.01,;-4.9,-4.78,;-6.24,-4.01,;-7.57,-4.78,;-8.9,-4.01,;-8.9,-2.47,;-7.57,-1.7,;-7.57,-.16,;-8.9,.61,;-8.9,2.15,;-7.57,2.92,;-7.57,4.46,;-6.24,5.23,;-6.24,2.15,;-6.24,.61,;-4.9,2.92,;-3.57,3.69,;-6.24,-2.47,;-4.9,-1.7,)|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)Cc3cn(C)cn3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCNCC3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@H]3CCNC3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@@H]3CCNC3)cc12 |r|
COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Cc1cc(cnc1OC(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C(F)(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C(F)(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
Cc1cc(cnc1OC(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
Cc1cc(cnc1OC(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
Cc1cc(cnc1OC(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CC3)cc12 |r|
COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COc1ncc(cc1C(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COCC(=O)N1CC[C@@H](C1)Oc1cc2N(CCOc2cn1)c1cnc(OC)c(c1)C(F)F |r|
COc1ncc(cc1C(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
COCC(=O)N1CC[C@@H](C1)Oc1cc2N(CCOc2cn1)c1cnc(c(c1)C(F)F)S(C)(=O)=O |r|
COc1ncc(cc1C)N1CCOc2cnc(OC3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12
COc1ncc(cc1C#N)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C(F)(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)c3cn4ccsc4n3)cc12 |r|
COc1ncc(cc1C)N1CCOc2cnc(O[C@@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r|
COc1ncc(cc1C(F)(F)F)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)c3ncn(C)c3N)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)C3)cc12 |r,w:25.28|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12 |r,w:25.28|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12 |r,w:24.27|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCCO3)cc12 |r,w:24.27|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)C3)cc12 |r,w:24.27|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)C3)cc12 |r,w:23.26|
COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)C3)cc12 |r,w:23.26|
COc1ncc(cc1F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3COCCO3)cc12 |r,w:23.26|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)c(F)c12 |r|
COc1ncc(cc1C(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)c(F)c12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c(F)c12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@H]3CCN(C3)C(C)=O)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@@H]3CCN(C3)C(C)=O)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@@H]3CCN(C)C3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)c3ccccn3)cc12 |r|
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)c3ncccn3)cc12 |r|
COc1ncc(cc1C#N)N1CC(C)Oc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r,w:12.13|
COc1ncc(cc1C#N)N1C[C@H](C)Oc2ccc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(CC4CCN(C)CC4)C3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(OC3CCN(C3)C(=O)C3CCOCC3)cc12
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@H]3CC[C@H](O)CC3)cc12 |r,wU:29.31,wD:19.19,26.27,(-4.4,5,;-5.74,4.23,;-5.74,2.69,;-7.07,1.93,;-7.07,.38,;-5.74,-.38,;-4.4,.38,;-4.4,1.93,;-3.07,2.7,;-1.74,1.93,;-5.74,-1.93,;-7.07,-2.69,;-7.07,-4.23,;-5.74,-5,;-4.4,-4.23,;-3.07,-5,;-1.74,-4.23,;-1.74,-2.69,;-.4,-1.93,;.93,-2.69,;.93,-4.23,;2.39,-4.71,;3.3,-3.47,;2.39,-2.22,;4.79,-3.07,;5.88,-4.16,;5.19,-1.58,;6.67,-1.18,;7.07,.31,;5.98,1.4,;6.38,2.88,;4.5,1,;4.1,-.49,;-3.07,-1.93,;-4.4,-2.69,)|
COc1ncc(cc1C#N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)Cc3ccncc3)cc12 |r|
COc1ncc(cc1N)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
COc1ncc(cc1NS(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)cc12 |r|
COc1ncc(cc1C)N1CCOc2ccc(OC3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)c(C)c12
Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(OC3CCN(C3)C(=O)C3CCOCC3)c(C)c12
COc1ncc(cc1C(F)F)N1CCOc2ccc(OC3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)c(C)c12
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1 |r|
COc1c(cc(Cl)c([N+]#[C-])c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
Cn1nccc1C(=O)NCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c(C)c(C#N)c1-c1cccc(F)c1
CCOc1c(cc(Cl)c(F)c1C1CNC(=O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@H]1CNC(=O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c2cn(C)nc12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn(CC)nc12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn[nH]c12)[C@@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
CCOc1c(cc(Cl)c2cn[nH]c12)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
CCOc1c(cc(Cl)c2cnn(C)c12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cnn(CCOC)c12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cnn(CCO)c12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cnn(CC#N)c12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cnn(Cc3ccccc3)c12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cnn(CC(C)C)c12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cnn(C3CCC3)c12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cnn(C(C)C)c12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn(CCOC)nc12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn(CCO)nc12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn(CC#N)nc12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn(Cc3ccccc3)nc12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn(CC(C)C)nc12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn(nc12)C1CCC1)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn(nc12)C(C)C)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn(CC(N)=O)nc12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2cn(CC#CC)nc12)C(C)NC(=O)c1c(N)nn2cccnc12
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cnn(C)c2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn(Cc3ccn(C)n3)nc2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cnn(CCN3CCOCC3)c2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn(CC(=O)N3CCOCC3)nc2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cnn(CCN)c2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Br)n[nH]c2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(C)n[nH]c2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(C)c2c(C)n[nH]c2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cnc(C)n2c1-c1cccc(F)c1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(C)c2cnc(C)n2c1-c1cccc(F)c1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(C#N)c2cncn2c1-c1ccccc1
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)[C@H](C)C1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)[C@@H](C)C1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCC(C1)C#N |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCC(C)(C1)C#N |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1C[C@H](O)[C@@H](O)C1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1C[C@H](O)[C@@H](F)C1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)CC1
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)CC1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)C[C@@H]1C |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)C[C@H]1C |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=N)(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)C(C)(C)C1
CCOc1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2ccc(nc12)-c1cncc(OC)c1
CCOc1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2ccc(nc12)-c1cncc(CO)c1
CCOc1c(cc(Cl)c2c(Cl)n[nH]c12)C(C)NC(=O)c1c(N)nn2ccc(nc12)-c1cncc(OC)c1
CCOc1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2ccc(nc12)N1CCCCC1
CCOc1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nc2ccc(Cl)nn12
CCOc1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nc2ccc(C)nn12
CCOc1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nc2ccc(nn12)N1CCCCC1
CCOc1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nc2ccc(nn12)-c1cncc(CO)c1
CCOc1c(cc(Cl)c2c(Cl)n[nH]c12)C(C)NC(=O)c1c(N)nc2ccc(nn12)-c1cncc(CO)c1
CCOc1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2ccc(nc12)-c1cccnc1
CCc1n[nH]c2c(-c3ccccc3)c(cc(Cl)c12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2c(Br)n[nH]c12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2c(Br)n(CCO)nc12)C(C)NC(=O)c1c(N)nn2cccnc12
CCOc1c(cc(Cl)c2c(Br)nn(CCO)c12)C(C)NC(=O)c1c(N)nn2cccnc12
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(n[nH]c2c1-c1ccccc1)C#N
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2ccnn2c1N1CCC(CC1)C#N
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2ccnn2c1N1CCS(=O)(=O)CC1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(F)cnn2c1N1CCS(=O)(=O)CC1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2ccnn2c1-c1cccnc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(cnn2c1N1CCS(=O)(=O)CC1)C#N
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(cnn2c1N1CCC[C@H](O)C1)C#N |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1C1CCCC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cnnn2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OCCCN
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(F)(F)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(F)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC(F)(F)C1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(F)(F)C1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(C)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC1(C)C
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC[C@H]1C |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC[C@@H]1C |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC[C@H]1C |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC[C@@H]1C |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC[C@@H](F)C1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC[C@H](F)C1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC(F)C1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(C)(C)C1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CC[C@@H](F)C1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CC[C@H](F)C1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC(C)(O)C1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC(C)(O)C1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC(O)(C1)C#N |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC(O)(C1)C#N |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC(O)(C1)C(F)(F)F |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCC(O)(C1)C(F)(F)F |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC2(COC(=O)N2)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC2(CNC(=O)O2)CC1
COCCOc1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2cccnc12
COc1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2cccnc12
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OC(F)F
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OCCO
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OCC(O)CO
CCOc1c(cc(Cl)c2c(n[nH]c12)C#N)C(C)NC(=O)c1c(N)nn2cccnc12
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(C)(O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(C)(CC1)C#N
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(O)(CC1)C(F)(F)F
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(O)C1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(O)C1 |r|
COC1CCN(C1)c1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2cccnc12
CNS(=O)(=O)C1CCN(C1)c1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2cccnc12
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(CC1)S(=O)(=O)N(C)C
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCS(=O)(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CC[C@@H](C1)NC(C)=O |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CC[C@@H](C1)NS(C)(=O)=O |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CC[C@H](C1)NS(C)(=O)=O |r|
CCOC(=O)C1CCC(=CC1)c1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2cccnc12 |c:8|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1C1=CCN(CC1)C(=O)OCc1ccccc1 |t:29|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1C1=CCNCC1 |t:29|
COC1CCC(=CC1)c1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2cccnc12 |c:5|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1C1=CCC(CC1)C#N |t:29|
COC(=O)C1CCN(C1)c1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2cccnc12
CNC(=O)C1CCN(C1)c1c(cc(Cl)c2cn[nH]c12)[C@@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
CNC(=O)C1CCN(C1)c1c(cc(Cl)c2cn[nH]c12)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC[C@@H](C1)NC(C)=O |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC[C@@H](C1)NS(C)(=O)=O |r|
CCOC(=O)C1CCN(CC1)c1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2cccnc12
CNC(=O)C1CCN(CC1)c1c(cc(Cl)c2cn[nH]c12)C(C)NC(=O)c1c(N)nn2cccnc12
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCC(CC1)C(=O)N(C)C
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCCS(=O)(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCNS(=O)(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1N1CCS(=O)(=O)C(C)(C)C1
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)n[nH]c2c1N1CCS(=O)(=O)C(C)C1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)n[nH]c2c1N1CCS(=O)(=O)C(C)C1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)n[nH]c2c1N1CCS(=O)(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)n[nH]c2c1N1CCCS(=O)(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)n[nH]c2c1N1CCS(=O)(=O)C(C)(C)C1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(C2CC2)c2cncn2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cnc(C)n2c1-c1cn[nH]c1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cnc(C)n2c1-c1cnn(C)c1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cnc(C)n2c1-c1cccnc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cnc(C)n2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)nc(C)n2c1-c1cn[nH]c1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(F)nc(C)n2c1-c1cn[nH]c1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(nc(C)n2c1-c1ccccc1)C(F)(F)F
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(nc(C)n2c1-c1ccccc1)[N+]#[C-]
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(nc(C)n2c1-c1ccccc1)C#C
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1cccnc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(ncn2c1-c1cccnc1)[N+]#[C-]
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(C)ncn2c1-c1cccnc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1cc[nH]n1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1cncc(c1)S(C)(=O)=O
CNC(=O)c1ccc(cn1)-c1c(cc(Cl)c2cncn12)C(C)NC(=O)c1c(N)nn2cccnc12
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1ccccn1
COc1cncc(c1)-c1c(cc(Cl)c2cncn12)C(C)NC(=O)c1c(N)nn2cccnc12
CNS(=O)(=O)c1ccc(cc1)-c1c(cc(Cl)c2cncn12)C(C)NC(=O)c1c(N)nn2cccnc12
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1ccc(nc1)S(C)(=O)=O
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1cncc(c1)C#N
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1cnccn1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1cn[nH]c1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1cnn(C)c1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCN(CC1)S(C)(=O)=O
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCCC1
COC1CCN(CC1)c1c(cc(Cl)c2cncn12)C(C)NC(=O)c1c(N)nn2cccnc12
COC1CCN(C1)c1c(cc(Cl)c2cncn12)C(C)NC(=O)c1c(N)nn2cccnc12
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCOCC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCC(O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCC(Br)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCC(O)C1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCNS(=O)(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1C[C@@H](O)C[C@H](O)C1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCCS(=O)(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCC(CC1)C#N
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCN(C)C(=O)C1
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1C[C@H](O)C[C@@H](O)C1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1C[C@@H](O)C[C@@H](O)C1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1C[C@H](O)C[C@@H](F)C1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1C[C@H](O)C[C@@H](F)C1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cnc(C)n2c1N1CCCS(=O)(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(ncn2c1N1CCNS(=O)(=O)CC1)C(F)(F)F
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)ncn2c1N1CCNS(=O)(=O)CC1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)ncn2c1N1CCNC(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)ncn2c1N1CCS(=O)(=O)CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)ncn2c1N1CCC(CC1)C#N
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(ncn2c1N1CCS(=O)(=O)CC1)[N+]#[C-]
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(ncn2c1N1CCS(=O)(=O)C(C)C1)[N+]#[C-]
Nc1nn2cccnc2c1C(=O)NCc1cc(Cl)c2cncn2c1N1CCS(=O)(=O)CC1
CC1CN(CCS1(=O)=O)c1c(CNC(=O)c2c(N)nn3cccnc23)cc(Cl)c2cncn12
CC1(C)CN(CCS1(=O)=O)c1c(CNC(=O)c2c(N)nn3cccnc23)cc(Cl)c2cncn12
CC1CN(CCS1(=O)=O)c1c(CNC(=O)c2c(N)nn3cccnc23)cc(Cl)c2c(Cl)ncn12
CC1(C)CN(CCS1(=O)=O)c1c(CNC(=O)c2c(N)nn3cccnc23)cc(Cl)c2c(Cl)ncn12
Nc1nn2cccnc2c1C(=O)NCc1cc(Cl)c2cncn2c1N1CCCC1
Nc1nn2cccnc2c1C(=O)NCc1cc(Cl)c2c(Cl)ncn2c1N1CCCC1
Nc1nn2cccnc2c1C(=O)NCc1cc(Cl)c2c(ncn2c1N1CCCC1)C#N
CC1CC(CCS1(=O)=O)c1c(CNC(=O)c2c(N)nn3cccnc23)cc(Cl)c2c(ncn12)[N+]#[C-]
CCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(ncn2c1N1CCS(=O)(=O)C(C)C1)[N+]#[C-]
CC1CN(CCS1(=O)=O)c1c(cc(Cl)c2c(ncn12)C#N)C(NC(=O)c1c(N)nn2cccnc12)C1CC1
CC1CN(CCS1(=O)=O)c1c(cc(Cl)c2c(ncn12)C#N)C(NC(=O)c1c(N)nn2cccnc12)C(F)(F)F
CCCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)CC1
CCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)CC1
Nc1nn2cccnc2c1C(=O)NC(c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)CC1)C(F)(F)F
CC(C)C(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)CC1
CC1CN(CCS1(=O)=O)c1c(cc(Cl)c2cncn12)C(NC(=O)c1c(N)nn2cccnc12)C1CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1C1CCCCC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2nnc(C)n2c1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2nncn2c1-c1ccccc1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1ncc[nH]1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1cnc[nH]1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1ccc[nH]1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1cc2ccccc2[nH]1
COc1cncc(c1)-c1ccc2nc(sc2c1)-c1nc2ccccc2[nH]1
COc1cncc(c1)-c1ccc2nc(ccc2c1)-c1nc2ccccc2[nH]1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2cc(F)ccc2[nH]1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2cc(C)ccc2[nH]1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2c(C)cccc2[nH]1
Brc1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Oc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CC(C)Oc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
FC(F)Oc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Fc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCS(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Fc1cccc(c1)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
O=S(=O)(Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1)C1CCCCC1
CN(C)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CN(C)S(=O)(=O)Nc1cc(cnc1C)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CN(C)S(=O)(=O)Nc1cc(cnc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CC(C)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCS(=O)(=O)Nc1cc(cnc1C)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCS(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCS(=O)(=O)Nc1cc(cnc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CN1CCN(CC1)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CN1CCN(CC1)S(=O)(=O)Nc1cc(cnc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CC(=O)Nc1cc(cnc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CN(C)c1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
N#Cc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CS(=O)(=O)c1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CN(C)S(=O)(=O)c1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
O=S(=O)(N1CCOCC1)c1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Fc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1ncc[nH]1
CCS(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1ncc[nH]1
CN(C)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1ncc[nH]1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1cnc([nH]1)C1CC1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1cnc([nH]1)C1CCOC1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1cnc([nH]1)-c1ccccc1
CCc1ncc([nH]1)-c1nc2ccc(cc2o1)-c1cncc(OC)c1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1cc(C)n[nH]1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1cc(n[nH]1)-c1ccccc1
C(c1ccccc1)n1cc(cn1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
c1n[nH]c2ccc(cc12)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Cc1n[nH]c2ccc(cc12)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Fc1ccc(cc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCS(=O)(=O)n1ncc2ccc(cc12)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCn1cc2ccc(cc2n1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
C(N1CCN(CC1)c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1)c1ccccc1
Nc1ncc(cc1C(F)(F)F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCn1ncc2ncc(cc12)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
OC1CCN(C1)S(=O)(=O)c1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCNS(=O)(=O)c1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCS(=O)(=O)Nc1cc(ccc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
OC(c1cncc(c1)-c1ccc2nc(oc2c1)-c1ncc[nH]1)C(F)(F)F
Cc1nc([nH]c1C)-c1nc2ccc(cc2o1)-c1cncc(c1)S(C)(=O)=O
CCS(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc(C)c(C)[nH]1
CCCc1nc([nH]c1C)-c1nc2ccc(cc2o1)-c1cncc(NS(=O)(=O)CC)c1
CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2nc(oc2c1)-c1nc(C)c(C)[nH]1
CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2nc(oc2c1)-c1nc2CCCCc2[nH]1
Cc1nc([nH]c1C)-c1nc2ccc(cc2o1)-c1cncc(c1)C(O)C(F)(F)F
OC(c1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2CCCCc2[nH]1)C(F)(F)F
CCc1cc(cnc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Fc1ncc(cn1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
OC(=O)Cc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CP(C)(=O)c1cc(cnc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
OC(c1cc(cnc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1)C(F)(F)F
Fc1ncc(cc1NS(=O)(=O)CC(F)(F)F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
Cc1ncc(cc1NS(=O)(=O)CC(F)(F)F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
FC(F)(F)CS(=O)(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCS(=O)(=O)Nc1cc(ncc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CC(=O)N1CCN(CC1)c1cncc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1ccc2[nH]c(=O)[nH]c2c1
Cn1cnc2ccc(cc12)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CC(=O)N1CCN(CC1)c1cncc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1nncc1-c1cc(-c2cncc(c2)N2CCN(CC2)C(C)=O)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cncc(c1)N1CCS(=O)(=O)CC1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cncc(c1)N1CCS(=O)(=O)CC1
CC(C)n1nncc1-c1cc(-c2cncc(c2)N2CCS(=O)(=O)CC2)n2ncnc(N)c12
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cncc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cncc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12 |r|
C[C@H]1CN(C[C@@H](C)N1c1cncc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r|
C[C@H]1CN(C[C@@H](C)N1c1cncc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r|
CC(C)n1nncc1-c1cc(-c2cncc(c2)N2[C@@H](C)CN(C[C@H]2C)C(C)=O)n2ncnc(N)c12 |r|
CC1C(C)N(C(C)C(C)N1C(C)=O)c1cncc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC1C(C)N(C(C)C(C)N1C(C)=O)c1cncc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2cnn(C3CCOCC3)c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2cnn(CCF)c2c1
CN1CC(CCC1=O)n1ncc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=C)N1CCC(CC1)n1ncc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCC(CC1)n1ncc2ccc(cc12)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
Cc1nc2ccc(cc2n1C1CCN(CC1)C(=O)CO)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
COCC(=O)N1CCC(CC1)n1c(C)nc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2cnn(C3CCOCC3)c2c1
CC(C)n1nncc1-c1cc(-c2ccc3cnn(C4CCOCC4)c3c2)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3cnnn3C3CCCCC3)c12)-c1ccc2cnn(C3CCOCC3)c2c1
CC1COCC(C)C1n1ncc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Cc1nn(C2CCOCC2)c2cc(ccc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Cc1nn(C2CCOCC2)c2cc(ccc12)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2ncn(C3CCOCC3)c2c1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2ncn(C3CCOCC3)c2c1
Nc1ncnn2c(cc(-c3cnnn3C3CCCCC3)c12)-c1ccc2ncn(C3CCOCC3)c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1ccc2cnn(C3CCS(=O)(=O)CC3)c2c1
Nc1ncnn2c(cc(-c3ccnn3CC(F)(F)F)c12)-c1ccc2cnn(C3CCS(=O)(=O)CC3)c2c1
Nc1ncnn2c(cc(-c3cnnn3C3CCCCC3)c12)-c1ccc2cnn(C3CCS(=O)(=O)CC3)c2c1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cc(F)c2cnn(C3CCS(=O)(=O)CC3)c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cc(F)c2cnn(C3CCS(=O)(=O)CC3)c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CC3)c12)-c1cc(F)c2cnn(C3CCS(=O)(=O)CC3)c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2ncn(C3CCS(=O)(=O)CC3)c2c1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2ncn(C3CCS(=O)(=O)CC3)c2c1
Nc1ncnn2c(cc(-c3ccnn3CC(F)(F)F)c12)-c1ccc2ncn(C3CCS(=O)(=O)CC3)c2c1
CC(C)n1ncc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2cnn(CC3CC3)c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2cnn(CC3CC3)c2c1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2ncn(CC3CC3)c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2ncn(CC3CC3)c2c1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2ncn(CC3CC3(F)F)c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2ncn(CC3CC3(F)F)c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2ncn(CC(O)CF)c2c1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2ncn(CC(O)CF)c2c1
CN(C)C(=O)Cn1cnc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2ncn(C[C@H]3CCC(=O)N3)c2c1 |r|
CC(c1cc(C)on1)n1cnc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
NC(=O)c1ccccc1-n1ncc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)Nc1ccccc1-n1ncc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
NC(=O)c1cccc(c1)-n1ncc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(CC1)c1nccc2ccc(cc12)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2ccnc(N3CCOCC3)c2c1
CC(C)n1nncc1-c1cc(-c2ccc3ccnc(N4CCS(=O)(=O)CC4)c3c2)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2ccnc(N3CCS(=O)(=O)CC3)c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCNCC1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCN(CC1)C1COC1
CN1CCN(CC1)c1cc(ccn1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(CC1)c1cc(ccn1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
NC(=O)c1ccccc1-c1cc(ccn1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
NC(=O)c1ccccc1-c1cncc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CS(=O)(=O)c1ccccc1-c1cc(ccn1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1cc(cn1)-c1cc(-c2ccc3cnn(C4CCOCC4)c3c2)n2ncnc(N)c12
CC(C)n1cc(cn1)-c1cc(-c2ccc3cnn(C4CCS(=O)(=O)CC4)c3c2)n2ncnc(N)c12
Cn1cc(cn1)-c1cc(-c2ccc3cnn(C4CCOCC4)c3c2)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2cn[nH]c2c1
Nc1ncnn2c(cc(C#N)c12)-c1ccc2cnn(C3CCOCC3)c2c1
Cn1cc(cn1)-c1cc(-c2ccc3cnn(C4CCS(=O)(=O)CC4)c3c2)n2ncnc(N)c12
Nc1ncnn2c(cc(I)c12)-c1ccc2cnn(C3CCOCC3)c2c1
Nc1ncnn2c(cc(Cl)c12)-c1ccc2cnn(C3CCOCC3)c2c1
Nc1ncnn2c(cc(Br)c12)-c1ccc2cnn(C3CCOCC3)c2c1
CC(=O)Nc1ccc(cn1)-c1cc(-c2ccc3cnn(C4CCOCC4)c3c2)n2ncnc(N)c12
CC(=O)Nc1ccc(cn1)-c1cc(-c2ccc3cnn(C4CCS(=O)(=O)CC4)c3c2)n2ncnc(N)c12
NC(=O)c1ccccc1-n1ncc2ccc(cc12)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cncc(Br)c1
CC(=O)N1CCN(C(=O)C1(C)C)c1cncc(c1)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cncc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
C[C@@H](n1nccc1-c1cc(-c2ccnc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12)C(F)(F)F |r|
CC1(C)N(CCN(C1=O)c1cncc(c1)-c1cc(Cl)c2c(N)ncnn12)C(=O)C1CC1
CC1(C)N(CCN(C1=O)c1cncc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12)C(=O)C1CC1
CC(=O)N1CCN(C(=O)C1(C)C)c1cncc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC1(C)N(CCN(C1=O)c1cncc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C1CC1
C[C@@H](n1nccc1-c1cc(-c2ccnc(c2)N2CCN(C(=O)C3CC3)C(C)(C)C2=O)n2ncnc(N)c12)C(F)(F)F |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cncc(c1)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cncc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccn1)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(cnc1C)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccn1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cc(cnc1C)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccn1)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1COC(C)(C)C(=O)N1c1cc(cnc1C)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cc(cnc1C)-c1c(F)c(Cl)c2c(N)ncnn12 |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cc(cnc1C)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cncc(c1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12 |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(cnc1C)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cncc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@H]1COC(C)(C)C(=O)N1c1cc(cnc1C)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(n1)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(cnc1C)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(n1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(n1)-c1cc(C#N)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(n1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(n1)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1COC(C)(C)C(=O)N1c1cc(ccn1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
Nc1ncnn2c(cc(c12)C(F)(F)F)N1CCOC(C1)C(=O)N1CCCC1
CC(C)NC(=O)C1CN(CCO1)c1cc(c2c(N)ncnn12)C(F)(F)F
Nc1ncnn2c(cc(c12)C(F)(F)F)N1CCOC(C1)C(=O)NC1CCCCC1
Nc1ncnn2c(cc(c12)C(F)(F)F)N1CCCC(C1)C(=O)NC1CCCC1
CN(C)C(=O)C1CCCN(C1)c1cc(c2c(N)ncnn12)C(F)(F)F
Nc1ncnn2c(cc(c12)C(F)(F)F)N1CCCC(C1)C(=O)Nc1ccccc1
CC(C)NC(=O)C1CCCN(C1)c1cc(c2c(N)ncnn12)C(F)(F)F
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|
C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F |r|
Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
N#CCC(C1CCN(C1)c1nc2cccnc2o1)n1cc(cn1)-c1ncnc2[nH]ccc12
CN(CCS(C)(=O)=O)Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1c(Cc2c(CNCCS(C)(=O)=O)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Cc1c(Cc2c(CNCCO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Cc1c(Cc2c(CNCCO)nc3c(cc(nn23)N2CCOCC2)-c2ncc[nH]2)cccc1C(F)(F)F
Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Cc1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ncc[nH]1
Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ccn[nH]1
Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(N)=O
Cc1nc2c(cc(nn2c1Cc1cccc(Cl)c1C)N1CCOCC1)C(N)=O
Cc1nc2c(cc(nn2c1Cc1cccc(C)c1C)N1CCOCC1)C(O)=O
Cc1nc2c(cc(nn2c1Cc1cccc(Cl)c1C)N1CCOCC1)C(O)=O
Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(N)=O)cccc1C(F)(F)F
Cc1c(Cc2c(CF)nc3c(cc(nn23)N2CCOCC2)C(N)=O)cccc1C(F)(F)F
Cc1c(Cc2c(CF)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
CC(=O)NCc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ncc[nH]1
Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)-c2cnc[nH]2)cccc1C(F)(F)F
Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)-c2ncc[nH]2)cccc1C(F)(F)F
Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)-c2ccn[nH]2)cccc1C(F)(F)F
Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(O)=O)cccc1C(F)(F)F
Cc1c(Cc2c(CCO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Cc1c(Cc2c(CCO)nc3c(cc(nn23)N2CCOCC2)-c2c[nH]cn2)cccc1C(F)(F)F
CC1CN(CCO1)c1cc(-c2c[nH]cn2)c2nc(CO)c(Cc3cccc(c3C)C(F)(F)F)n2n1
CC1CN(CCO1)c1cc(N)c2nc(CO)c(Cc3cccc(c3C)C(F)(F)F)n2n1
CC1CN(CCO1)c1cc(C(O)=O)c2nc(C)c(Cc3cccc(c3C)C(F)(F)F)n2n1
Cc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)C1=CCOCC1)C(O)=O |t:25|
CC(O)c1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1c[nH]cn1
CC(O)c1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ncc[nH]1
CC(O)c1nc2c(N)cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ncc[nH]1
Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
Cc1c(Nc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(N)=O)cccc1C(F)(F)F
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCOCC1)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(C)c1C)N1CCOCC1
Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(N)=O
Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CCOCC1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Cc1nc2c(cc(nn2c1Nc1cccc2CCNCc12)N1CCOCC1)-c1cnc[nH]1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCS(=O)(=O)CC1)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(F)c1C)N1CCOCC1
Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(C1)S(C)(=O)=O)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(C1)S(C)(=O)=O)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC2(CS(=O)(=O)C2)C1)C(F)(F)F)N1CCOCC1
Cc1nc2c(cc(nn2c1Nc1cccc(F)c1C)N1CCOCC1)-c1c[nH]cn1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CO)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC2(CCS2(=O)=O)C1)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(CC1)S(C)(=O)=O)C(F)(F)F)N1CCOCC1
CC(CO)NCc1c(Nc2c(C)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
CN1CCN(Cc2c(Nc3c(C)nc4c(cc(nn34)N3CCOCC3)-c3c[nH]cn3)cccc2C(F)(F)F)CC1
CN1CCN(Cc2c(Nc3c(C)nc4c(N)cc(nn34)N3CCOCC3)cccc2C(F)(F)F)CC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1C1CCNCC1)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(C)c1C1CCNCC1)N1CCOCC1
CC(=O)OCc1nc2c(N)cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCCC1)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(F)c1CN1CCOCC1)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc2CNCCc12)N1CCOCC1
Cc1c(Nc2c(CO)nc3c(N)cc(nn23)N2CCOC(CO)C2)cccc1C(F)(F)F
Cc1c(Cl)cccc1Nc1c(CO)nc2c(cc(nn12)N1CCOCC1)-c1c[nH]cn1
Cc1c(Nc2c(CO)nc3c(cc(nn23)N2CCOC(CO)C2)-c2c[nH]cn2)cccc1C(F)(F)F
Cc1nc2c(N)cc(nn2c1Nc1ccccc1CN1CCOCC1)N1CCOCC1
CC(CO)NCc1c(F)cccc1Nc1c(C)nc2c(N)cc(nn12)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1C1CCN(CCO)CC1)C(F)(F)F)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(O)C1)C(F)(F)F)N1CCOCC1
CC(N)C(=O)OCc1nc2c(N)cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1c(Nc2c(COC(=O)C(N)Cc3ccccc3)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
CCC(C)C(N)C(=O)OCc1nc2c(N)cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1
CC(C)C(N)C(=O)OCc1nc2c(N)cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1c(Nc2c(COC(=O)C3(CC3)NC(=O)OC(C)(C)C)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Cc1c(Nc2c(CN)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Cc1nc2c(cc(nn2c1Nc1ccccc1N1CCOCC1)N1CCOCC1)C(O)=O
Cc1nc2c(cc(nn2c1Nc1ccccc1N1CCOCC1)N1CCOCC1)C(N)=O
Cc1nc2c(N)cc(nn2c1Nc1ccccc1N1CCOCC1)N1CCOCC1
Cc1nc2c(cc(nn2c1Nc1ccccc1N1CCOCC1)N1CCOCC1)-c1ccn[nH]1
Cc1c(Cc2c(nc3c(N)cc(nn23)N2CCOCC2)C(O)CN)cccc1C(F)(F)F
Cc1c(F)cccc1Cc1c(CO)nc2c(N)cc(nn12)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Cc1cccc(F)c1CO)N1CCOCC1
Cc1c(F)cccc1Cc1c(CNCCO)nc2c(N)cc(nn12)N1CCOCC1
CCc1c(F)cccc1Cc1c(CO)nc2c(N)cc(nn12)N1CCOCC1
CCc1c(F)cccc1Cc1c(CNCCO)nc2c(N)cc(nn12)N1CCOCC1
CC(CO)NCc1c(F)cccc1Cc1c(CO)nc2c(N)cc(nn12)N1CCOCC1
CC(CO)NCc1c(F)cccc1Cc1c(C)nc2c(N)cc(nn12)N1CCOCC1
Nc1cc(nn2c(Cc3cccc(c3C3CCNCC3)C(F)(F)F)c(CO)nc12)N1CCOCC1
Nc1cc(nn2c(Cc3cccc(c3C3CCN(CCO)CC3)C(F)(F)F)c(CO)nc12)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Cc1cccc(F)c1C1CCNCC1)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Cc1cccc(F)c1C1CCN(CCO)CC1)N1CCOCC1
Nc1cc(nn2c(Cc3cccc(F)c3C3CCN(CCO)CC3)c(CO)nc12)N1CCOCC1
Cc1nc2c(N)cc(nn2c1Cc1cccc2CCNCc12)N1CCOCC1
CN1CCN(CC1)n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CN1CCN(CC1)n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1C[C@@H]2CC[C@H](C1)N2C |r,THB:33:32:25.26.31:29.28|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(C)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(C)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNC2(CC2)C1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1CCCNCC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCCNCC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1CCCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1CCCNCC1 |r|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2[C@@H]2[C@H]3CNC[C@@H]23)c1C#N |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2[C@@H]2[C@H]3CNC[C@@H]23)n1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1C1C2CNCC12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1C1C2CNCC12 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1[C@H]2CNC[C@@H]12 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1CCNC1 |r|
C[C@H](NC(=O)c1nc(Cl)cnc1N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](NC(=O)c1nc(Cl)c(N)nc1N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2ccoc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2scc(Cl)c12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1(F)F |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(F)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2c(F)ccc(F)c2c(=O)n1N1CCNCC1 |r|
Fc1ccc(F)c2c1nc([C@@H](Nc1ncnn3ccnc13)C1CC1)n(N1CCNCC1)c2=O |r|
CC[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
Clc1cccc2nc([C@@H](Nc3ncnn4ccnc34)C3CC3)n(N3CCNCC3)c(=O)c12 |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCNCC2)c1C#N |r|
Fc1ccc(Cl)c2c1nc([C@@H](Nc1ncnn3ccnc13)C1CC1)n(N1CCNCC1)c2=O |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2N2CCNCC2)n1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2c(Cl)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2ccc(Cl)nc12)c1nc2c(Cl)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](NC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](NC(=O)c1nc(C)c(C)nc1N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNC(C1)C(F)(F)F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNC(C1)C(F)(F)F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNC2(CC2)C1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCCNCC1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCCNCC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2[nH]cc(Br)c12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2ccc(Cl)nc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2cccnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CC(C)C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CC(C)C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1N1CCNCC1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCNCC2)n1 |r|
Clc1cccc2nc([C@@H](Nc3ncnc4scnc34)C3CC3)n(N3CCNCC3)c(=O)c12 |r|
CC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
CC[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCNCC1 |r|
C[C@H](Nc1ncnc2cccnc12)c1nc2cccc(Cl)c2c(=O)n1C1CCCNCC1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1C1CCCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCCNC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 |r|
CC(C)N1CCN(CC1)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(F)cc2)CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(F)cc2)CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccc(OC)cc2)CC1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCN(Cc3ccccc3)CC2)n1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CCOC(C)(C)C)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC1)C1COC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(C)(C)C)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(Cc2ccccc2)CC1 |r|
Nc1ncnc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCNCC2)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1N1CCN(CC(F)F)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC(F)(F)F)C1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1C1CCN(C)CC1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCOCC2)n1 |r|
Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2N2CCOCC2)n1 |r|
Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(F)c2c(=O)n1N1CCN(Cc2ccccc2)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCN(C)CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1N1CCNCC1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(F)c3c(=O)n2N2CCNCC2)n1 |r|
C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCC(N)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCC(N)C1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCC(N)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1C1CNC1 |r|
Clc1cccc2nc([C@@H]3CCCN3c3ncnn4ccnc34)n(N3CCNCC3)c(=O)c12 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCN(CC1)C1CCN(C)CC1 |r|
CCN1CCC(C1)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCOC1 |r|
Nc1nc(N)c(C#N)c(NC2(CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2C2CCC2)n1
COc1c(cc(Cl)c(C)c1C1CN(C1)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(C)=O)C(C)n1nc(C)c2c(N)ncnc12
CCC(=O)N1CC(C1)c1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
COc1c(cc(Cl)c(C)c1C1CN(CC2CC2)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C)C1)C(C)n1nc(C)c2c(N)ncnc12
CCN1CC(C1)c1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
COc1c(cc(Cl)c(C)c1C1CN(CC(C)C)C1)C(C)n1nc(C)c2c(N)ncnc12
CCC(C)N1CC(C1)c1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
COCCN1CC(C1)c1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
CNC(=O)N1CC(C1)c1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1cc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(I)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CNC(=O)c1cc(ccn1)-c1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)NCCO)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)CCO)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cnn(CCO)c1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccc(C(=O)N(C)C)c(F)c1)C(C)n1nc(C)c2c(N)ncnc12
CNC(=O)c1ccc(cc1F)-c1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)NCCO)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)CCO)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1ccc(=O)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)C(C)n1ccc(=O)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cncc(c1)C#N)C(C)n1ccc(=O)c2c(N)ncnc12
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CCOc1c(cc(Cl)c(C#N)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1ccc(=O)c2c(N)ncnc12
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CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2cccc(F)c2)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2cn[nH]c2)c2c(N)ncnc12
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CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2cc[nH]n2)c2c(N)ncnc12
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CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C2CC2)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C#N)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2ccc(F)cc2)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2ccc(nc2)C(=O)N(C)C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2cncc(c2)C#N)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2cnc(N)nc2)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2ccc(nc2)C(=O)NC)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2ccncc2)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2cccnc2)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2cncc(c2)C(=O)N(C)C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C1COC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C1CCOCC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cncc(c1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(F)c1C1CN(C[C@@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(F)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(F)c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(F)c1C1CN(C)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(cc(Cl)c(F)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(cc(Cl)c(F)c1C1CN(C)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12 |r|
COc1c(cc(C#N)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12 |r|
COc1c(cc(C#N)c(F)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C#C[C@@H](C)O)c2c(N)ncnc12 |r|
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CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(CC)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C(F)F)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(CO)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(CNC)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(CN(C)C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(CF)c2c(N)ncnc12
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CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)c1OCC
CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc23)c1OCC
CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3ccc4nc(N)sc4c3)c3c(N)ncnc23)c1OCC
CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc23)c1OCC
CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3ccc4cn[nH]c4c3)c3c(N)ncnc23)c1OCC
CCOc1c(cc(Cl)c(C)c1C1CN(C1)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1C1CN(C[C@@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)[C@H](C)O)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)[C@@H](C)O)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)c1cnn(C)c1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C[C@@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(CC#N)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(C)C#N)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C1CCOC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(CC(F)(F)F)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(CC(O)C(F)(F)F)C1)C(C)n1nc(C)c2c(N)ncnc12
CNC(=O)[C@@H](C)N1CC(C1)c1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC |r|
COc1c(cc(Cl)c(C)c1C1CN(CC(O)=O)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(CC(F)F)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(CO)C(F)(F)F)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(C)CF)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C[C@@H](O)C(F)(F)F)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CN(C[C@H](O)C(F)(F)F)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)c1cnn(C)c1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)[C@H](C)O)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)C1CC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)c1cnoc1C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)[C@@H](C)O)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)C1(O)CC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)C(C)(C)O)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)c1cn[nH]c1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(CC#N)C1)C(C)n1nc(-c2cnn(C)c2)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(CC#N)C1)C(C)n1nc(-c2cn[nH]c2)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(C)C)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(cc(C#N)c(C)c1C1CN(C1)C(C)C)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(CC(F)(F)F)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(cc([N+]#[C-])c(C)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
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COc1c(cc([N+]#[C-])c(C)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
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COc1c(cc([N+]#[C-])c(C)c1C1CN(CC(F)F)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(cc([N+]#[C-])c(C)c1C1CN(C1)C(C)=O)C(C)n1nc(C(F)F)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(CC(F)(F)F)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(C[C@@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(C)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(CC)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(CC(F)F)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(CC(N)=O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)C(C)n1nc(C(F)F)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(C)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CN(C[C@@H](C)O)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12 |r|
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COc1c(cc(Cl)c(C)c1C1CN(C1)[C@@H](C)CO)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
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COc1c(cc(Cl)c(C)c1C1CN(C1)C1(CC#N)CCC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(CC(C)C#N)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CCN(C)CC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CCN(CC(C)(C)O)CC1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(CC#N)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(O)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cncnc1)C(C)n1nc(C)c2c(N)ncnc12
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COc1c(cc(Cl)c(C)c1-c1cncc(c1)C#N)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccc(N)nc1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)C(C)n1nc(C)c2c(N)ncnc12
CNC(=O)c1ccc(cn1)-c1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
COc1c(cc(Cl)c(C)c1-c1cncc(c1)C(=O)N(C)C1CC1)C(C)Nc1ncnc(N)c1C(C)=N
COc1c(cc(Cl)c(C)c1-c1cncc(c1)C(=O)N(C)CCO)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cncc(c1)C(=O)N1CCC(O)CC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cncc(c1)C(=O)N1CC(C1)C#N)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cncc(c1)C(=O)N(C)CCN)C(C)n1nc(C)c2c(N)ncnc12
CNC(=O)CCc1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
COc1c(cc(Cl)c(C)c1CCC(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cnn(c1)C1CCN(C)CC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cnn(c1)C1CCN(CC1)C(C)=O)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cnn(CCN(C)C)c1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccc(NCCO)nc1)C(C)Nc1ncnc(N)c1C(C)=N
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)N1CC(O)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccc(OCCO)nc1)C(C)Nc1ncnc(N)c1C(C)=N
CC(Nc1ncnc(N)c1C(C)=N)c1cc(Cl)c(C)c(-c2ccc(nc2)C(=O)N(C)C)c1OCC(F)F
CC(Nc1ncnc(N)c1C(C)=N)c1cc(Cl)c(C)c(-c2ccc(nc2)C(=O)N(C)C)c1OCC1CC1
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)Nc1ncnc(N)c1C(=N)C(F)F
COc1c(cc(Cl)c(C)c1C1CC1)C(C)Nc1ncnc(N)c1C(C)=N
COc1c(CC2CC2)c(C)c(Cl)cc1C(C)n1nc(C)c2c(N)ncnc12
COc1c(CC#N)c(C)c(Cl)cc1C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(Cl)c(C)c1-c1cncc(c1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1cnn(C)c1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)NC)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)CCO)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1cnn(CC(N)=O)c1)C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(Cl)c(C)c1-c1cnn(CC(=O)NC)c1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1cnn(CC(=O)N(C)C)c1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cnn(CC(=O)N(C)C)c1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1cnn(c1)C(C)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(cn1)C(=O)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N
COc1c(cc(C#N)c(C)c1-c1cnn(C)c1)C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(C#N)c(C)c1-c1cnn(C)c1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1C#N)C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(Cl)c([N+]#[C-])c1C1CNC1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC(C)C)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC2CC2)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCC1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c([N+]#[C-])c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C[C@@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)[C@H](C)CO)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)[C@@H](C)CO)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(CCCO)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(COC)COC)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)[C@H]1CCOC1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)[C@@H]1CCOC1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCOCC1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C[C@H]2CCOC2)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C[C@@H]2CCOC2)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC2CCOCC2)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC(F)(F)F)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(CCC(F)(F)F)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC#N)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c([N+]#[C-])c1C1CN(C1)C(C)(C)C(=O)OC(C)(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c([N+]#[C-])c1C1CN(C1)C(C)(C)CO)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)(C)C(O)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c([N+]#[C-])c1C1CN(C1)C(C)(C)C(N)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)(C)C(=O)NC)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)(C)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)CC)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)C(C)(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)C1CC1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c([N+]#[C-])c1C1CN(C1)C(=O)C(C)(C)O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)S(C)(=O)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)S(=O)(=O)CC)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)S(=O)(=O)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)S(=O)(=O)C1CC1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)OC)C(C)n1nc(C)c2c(N)ncnc12
CCOC(=O)N1CC(C1)c1c(OCC)c(cc(Cl)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)OC(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)OC(C)(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(N)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)NC)C(C)n1nc(C)c2c(N)ncnc12
CCNC(=O)N1CC(C1)c1c(OCC)c(cc(Cl)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c([N+]#[C-])c1C1CNC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c([N+]#[C-])c1C1CN(C)C1)C(C)n1nc(C)c2c(N)ncnc12
CCN1CC(C1)c1c(OC)c(cc(Cl)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(CC(C)C)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(CC2CC2)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C[C@@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)CO)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)CO)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C1COC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)[C@@H]1CCOC1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C1)[C@H]1CCOC1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCOCC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C[C@@H]2CCOC2)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C[C@H]2CCOC2)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(CC2CCOCC2)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c([N+]#[C-])c1C1CN(C1)C(C)=O)C(C)n1nc(C)c2c(N)ncnc12
CCC(=O)N1CC(C1)c1c(OC)c(cc(Cl)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c([N+]#[C-])c1C1CN(C1)S(C)(=O)=O)C(C)n1nc(C)c2c(N)ncnc12
CCS(=O)(=O)N1CC(C1)c1c(OC)c(cc(Cl)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)S(=O)(=O)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)S(=O)(=O)C1CC1)C(C)n1nc(C)c2c(N)ncnc12
COC(=O)N1CC(C1)c1c(OC)c(cc(Cl)c1[N+]#[C-])C(C)n1nc(C)c2c(N)ncnc12
CCOC(=O)N1CC(C1)c1c(OC)c(cc(Cl)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)OC(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c([N+]#[C-])c1C1CN(C1)C(=O)NC(C)(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c([N+]#[C-])c1C1CN(C1)C(N)=O)C(C)n1nc(C)c2c(N)ncnc12
CNC(=O)N1CC(C1)c1c(OC)c(cc(Cl)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
CCNC(=O)N1CC(C1)c1c(OC)c(cc(Cl)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c([N+]#[C-])c1C1CN(C1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
CCN1CC(C1)c1c(Cl)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
COc1c(cc(Cl)c(Cl)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(Cl)c1C1CN(C[C@@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(Cl)c1C1CN(C1)C1COC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(Cl)c1C1CN(CC#N)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(Cl)c1C1CN(C1)C(C)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c([N+]#[C-])c1C1CN(C1)C(C)C)C(C)n1cc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(Cl)c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(C)c(C#N)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1-c1ccc(nc1)C(C)(C)O)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(C)c(C#N)c1-c1cncc(c1)S(C)(=O)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1N1CCCC1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1N1CC(C1)OC)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1C1CN(C1)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1C1CN(C1)C(=O)C(C)(C)O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1C1CN(C[C@@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(C)c(C#N)c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(C)c(C#N)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)c1cncnc1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1cncc(c1)C#N)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1cncc(c1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1-c1cncc(c1)S(C)(=O)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1cncc(c1)C(=O)NC)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1ccc(nc1)-c1nnn(C)n1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1ccc(nc1)-c1cnn(C)n1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1ccc(nc1)-c1nnc(C)o1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1cncc(c1)-c1ncco1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1ccnc(c1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1N1CC(COC)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1N1CC(C1)C#N)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1-c1ccnn1C)C(C)n1nc(C)c2c(N)ncnc12 |(.95,2.18,;-.2,1.15,;-1.66,1.62,;-2.8,.59,;-2.48,-.91,;-3.63,-1.94,;-5.09,-1.47,;-6.24,-2.5,;-5.41,.04,;-6.88,.52,;-8.34,.99,;-4.27,1.07,;-4.59,2.58,;-6,3.2,;-5.83,4.74,;-4.33,5.06,;-3.56,3.72,;-2.03,3.56,;-1.02,-1.39,;.13,-.36,;-.54,-2.85,;-1.45,-4.1,;-.54,-5.34,;-1.02,-6.81,;.92,-4.87,;2.25,-5.64,;2.25,-7.18,;3.59,-4.87,;3.59,-3.33,;2.25,-2.56,;.92,-3.33,)|
CCOc1c(cc(Cl)c(C)c1[C@@H]1CNC(=O)O1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1[C@H]1CNC(=O)O1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CNC(=O)O1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CNC(=O)CO1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CNC(=O)O1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1[C@@H]1CNC(=O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CNC(=O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@H]1COC(=O)N1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@@H]1COC(=O)N1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CNC(=O)O1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@H]1CNC(=O)O1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CNC(=O)O1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1cc(-c2cn[nH]c2)c(=O)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1cc(C)c(=O)c2c(N)ncnc12
C1CN(CCO1)c1nc(nc2c3cccnc3sc12)-c1cccc2[nH]ccc12
C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1cccc2[nH]ccc12
C1CN(CCO1)c1nc(nc2c3cccnc3oc12)-c1ccnc2[nH]ccc12
C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
CN1CCN(CC1)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
CN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
C(N1CCCCC1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
C(N1CCOCC1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
COCCN(C)Cc1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
C1CN(CCO1)c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
O=S(=O)(Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1)N1CCCCC1
CC(=O)Nc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
COc1cc(cnc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CP(C)(=O)c1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCS(=O)(=O)N(C)c1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
OC(c1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1)C(F)(F)F
Cc1cccc(NS(=O)(=O)c2ccc(C)c(c2)-c2cnc(N)c(c2)-c2cnn(CC(F)(F)F)c2)n1
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)c1)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(CC(F)(F)F)c1)S(=O)(=O)NCCC(C)(C)O
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(-4.52,5,;-4.52,3.46,;-5.85,2.69,;-5.85,1.15,;-4.52,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5.01,;-.52,5.77,;.82,5.01,;2.15,5.78,;.82,3.47,;-.52,2.7,;2.15,2.69,;2.15,1.15,;3.61,.68,;4.52,1.92,;6.06,1.92,;3.61,3.17,;-4.52,-1.16,;-6.06,-1.16,;-2.98,-1.16,;-4.52,-2.7,;-3.19,-3.47,;-1.85,-2.7,;-.52,-3.47,;-.52,-5.01,;.82,-5.78,;-1.85,-5.78,;-3.19,-5.01,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(CC(F)(F)F)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:28.30,wD:31.34,(-5.65,4.23,;-5.65,2.69,;-6.98,1.92,;-6.98,.38,;-5.65,-.39,;-4.31,.38,;-4.31,1.92,;-2.98,2.7,;-2.98,4.24,;-1.65,5,;-.31,4.24,;1.02,5.01,;-.31,2.7,;-1.65,1.93,;1.02,1.92,;1.02,.38,;2.49,-.09,;3.39,1.15,;4.93,1.15,;5.7,2.49,;4.93,3.82,;6.47,3.82,;7.19,2.09,;2.49,2.4,;-5.65,-1.93,;-7.19,-1.93,;-4.11,-1.93,;-5.65,-3.47,;-4.31,-4.24,;-2.98,-3.47,;-1.65,-4.24,;-1.65,-5.78,;-.31,-6.55,;-2.98,-6.55,;-4.31,-5.78,)|
Cc1cc(ccn1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.27,wD:28.31,(6.1,2.69,;4.77,1.92,;3.44,2.7,;2.1,1.92,;2.1,.39,;3.44,-.39,;4.77,.39,;.77,2.7,;-.56,1.93,;-1.9,2.7,;-1.9,4.24,;-.56,5,;.77,4.24,;2.1,5.01,;-3.23,1.92,;-3.23,.38,;-4.56,-.39,;-5.9,.38,;-5.9,1.92,;-4.56,2.69,;-4.56,4.23,;-4.56,-1.93,;-6.1,-1.93,;-3.02,-1.93,;-4.56,-3.47,;-3.23,-4.24,;-1.9,-3.47,;-.56,-4.24,;-.56,-5.78,;.77,-6.55,;-1.9,-6.55,;-3.23,-5.78,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)n1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)n1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(-4.52,5,;-4.52,3.46,;-5.85,2.69,;-5.85,1.15,;-4.52,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5.01,;-.52,5.77,;.82,5.01,;2.15,5.78,;.82,3.47,;-.52,2.7,;2.15,2.69,;2.15,1.15,;3.61,.68,;4.52,1.92,;6.06,1.92,;3.61,3.17,;-4.52,-1.16,;-6.06,-1.16,;-2.98,-1.16,;-4.52,-2.7,;-3.19,-3.47,;-1.85,-2.7,;-.52,-3.47,;-.52,-5,;.82,-5.78,;-1.85,-5.77,;-3.19,-5,)|
CCc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@H]1CCOC1 |r|
Cc1cc(sn1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(C)COC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
CC(C)c1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cnc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.96,1.93,;6.42,1.93,;5.51,.68,;4.05,1.15,;4.05,2.69,;5.51,3.17,;2.71,3.47,;1.38,2.69,;.05,3.47,;.05,5,;1.38,5.78,;2.71,5,;4.05,5.78,;-1.29,2.69,;-1.29,1.15,;-2.62,.38,;-3.96,1.15,;-3.96,2.69,;-2.62,3.47,;-2.62,5,;-2.62,-1.15,;-4.16,-1.15,;-1.08,-1.15,;-2.62,-2.69,;-3.96,-3.47,;-3.96,-5,;-5.29,-5.78,;-6.62,-5,;-7.96,-5.78,;-6.62,-3.47,;-5.29,-2.69,)|
CCc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(5.15,-.65,;4.38,.68,;2.92,1.16,;2.92,2.7,;4.38,3.17,;5.29,1.93,;1.59,3.47,;.25,2.7,;-1.08,3.47,;-1.08,5.01,;.25,5.78,;1.59,5.01,;2.92,5.78,;-2.42,2.7,;-2.42,1.16,;-3.75,.39,;-5.08,1.16,;-5.08,2.7,;-3.75,3.47,;-3.75,5.01,;-3.75,-1.15,;-5.29,-1.15,;-2.21,-1.15,;-3.75,-2.69,;-2.42,-3.46,;-1.08,-2.69,;.25,-3.46,;.25,-5,;1.59,-5.77,;-1.08,-5.78,;-2.42,-5,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC(O)C1 |(6.66,-.88,;5.89,.45,;6.8,1.7,;5.89,2.95,;4.43,2.47,;4.43,.93,;3.09,3.24,;1.76,2.47,;.43,3.24,;.43,4.78,;1.76,5.55,;3.09,4.78,;4.43,5.55,;-.91,2.47,;-.91,.93,;-2.24,.16,;-3.58,.93,;-3.58,2.47,;-2.24,3.24,;-2.24,4.78,;-2.24,-1.38,;-3.78,-1.38,;-.7,-1.38,;-2.24,-2.92,;-3.58,-3.69,;-5.06,-3.29,;-5.46,-4.78,;-6.8,-5.55,;-3.97,-5.18,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,(6.66,-.88,;5.89,.45,;6.8,1.7,;5.89,2.95,;4.43,2.47,;4.43,.93,;3.09,3.24,;1.76,2.47,;.43,3.24,;.43,4.78,;1.76,5.55,;3.09,4.78,;4.43,5.55,;-.91,2.47,;-.91,.93,;-2.24,.16,;-3.58,.93,;-3.58,2.47,;-2.24,3.24,;-2.24,4.78,;-2.24,-1.38,;-.7,-1.38,;-3.78,-1.38,;-2.24,-2.92,;-3.58,-3.69,;-5.06,-3.29,;-5.46,-4.78,;-6.8,-5.55,;-3.97,-5.18,)|
Cc1nnc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(5.15,-.34,;4.38,1,;5.29,2.24,;4.38,3.49,;2.92,3.01,;2.92,1.47,;1.59,3.78,;.25,3.01,;-1.08,3.78,;-1.08,5.32,;.25,6.09,;1.59,5.32,;2.92,6.09,;-2.42,3.01,;-2.42,1.47,;-3.75,.7,;-5.08,1.47,;-5.08,3.01,;-3.75,3.78,;-3.75,5.32,;-3.75,-.84,;-2.21,-.84,;-5.29,-.84,;-3.75,-2.38,;-2.42,-3.15,;-2.02,-4.63,;-.53,-4.23,;-.13,-5.72,;1.36,-5.32,;2.69,-6.09,;.96,-3.84,;-.93,-2.75,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC2(C[C@H](O)C2)C1 |r,wU:24.26,28.31,(5.15,-7.55,;4.38,-6.22,;5.29,-4.97,;4.38,-3.73,;2.92,-4.2,;2.92,-5.74,;1.59,-3.43,;.25,-4.2,;-1.08,-3.43,;-1.08,-1.89,;.25,-1.12,;1.59,-1.89,;2.92,-1.12,;-2.42,-4.2,;-2.42,-5.74,;-3.75,-6.51,;-5.08,-5.74,;-5.08,-4.2,;-3.75,-3.43,;-3.75,-1.89,;-3.75,-8.05,;-2.21,-8.05,;-5.29,-8.05,;-3.75,-9.59,;-2.42,-10.36,;-.93,-9.97,;-.53,-11.45,;-.13,-12.94,;1.36,-12.54,;2.69,-13.31,;.96,-11.05,;-2.02,-11.85,)|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCCO
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(ccn1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(C)COC1
Cc1ccc(cc1-c1cnc(N)c(c1)-c1ccncc1)S(=O)(=O)NCCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:24.26,wD:27.30,(5.5,-.1,;4.73,1.23,;5.2,2.69,;3.96,3.6,;2.71,2.69,;3.19,1.23,;1.38,3.47,;.04,2.69,;-1.29,3.47,;-1.29,5,;.04,5.78,;1.38,5,;2.71,5.78,;-2.62,2.69,;-2.62,1.15,;-3.96,.38,;-5.29,1.15,;-5.29,2.69,;-3.96,3.47,;-3.96,5,;-3.96,-1.15,;-2.42,-1.15,;-5.5,-1.15,;-3.96,-2.69,;-2.62,-3.47,;-1.29,-2.69,;.04,-3.47,;.04,-5,;1.38,-5.78,;2.71,-5,;-1.29,-5.78,;-2.62,-5,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC2(C1)CCOC2
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCOC1=O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:27.30,wD:24.26,(7.39,-.1,;6.62,1.23,;5.08,1.23,;4.61,2.69,;5.85,3.6,;7.1,2.69,;3.27,3.47,;1.94,2.69,;.61,3.47,;.61,5,;1.94,5.78,;3.27,5,;4.61,5.78,;-.73,2.69,;-.73,1.15,;-2.06,.38,;-3.39,1.15,;-3.39,2.69,;-2.06,3.47,;-2.06,5,;-2.06,-1.15,;-3.6,-1.15,;-.52,-1.15,;-2.06,-2.69,;-3.39,-3.47,;-4.73,-2.69,;-6.06,-3.47,;-6.06,-5,;-7.39,-5.78,;-4.73,-5.78,;-3.39,-5,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1CNC[C@H]1O |r|
C[C@H]1COCCN1S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
C[C@@H]1COCCN1S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)C
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC(C)(C)C
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CCCC1(C)C
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CC1
COCC(NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1)C(C)C
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1CCOCC1
C[C@H](NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1)C1CC1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CCC[C@H]1CO |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CCC[C@H](O)C1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CCNC(=O)C1
COCC1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
CN(C)C1CN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
COC[C@@H]1COCCN1S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CCCC(C)(O)CC1
CN(C)[C@H]1CCN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1CCOC1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@@H]1CCOC1 |r|
CCONS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1CCCOC1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@H]1CCCOC1 |r|
C[C@@H](O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Cc1nn(C)cc1-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(3.91,-5.14,;5.24,-4.37,;6.7,-4.85,;7.61,-3.6,;9.15,-3.6,;6.7,-2.36,;5.24,-2.83,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(9.15,-3.6,;7.61,-3.6,;6.7,-4.85,;5.24,-4.37,;5.24,-2.83,;6.7,-2.36,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CCOC1
Cc1cccc(NS(=O)(=O)c2ccc(C)c(c2)-c2cnc(N)c(c2)-c2cnn(C)c2)n1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(N)(=O)=O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(N)(=O)=O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(CC(F)(F)F)c1)S(=O)(=O)NOCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(CC(F)(F)F)no1)S(=O)(=O)NCC(C)(C)O
CCCc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C(C)(C)C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.29,wD:30.33,(-4.24,5,;-4.24,3.46,;-5.57,2.69,;-5.57,1.15,;-4.24,.38,;-2.91,1.15,;-2.91,2.69,;-1.57,3.46,;-1.57,5,;-.24,5.77,;1.1,5,;2.43,5.77,;1.1,3.46,;-.24,2.69,;2.43,2.69,;2.43,1.15,;3.89,.68,;4.8,1.92,;3.89,3.17,;4.29,-.81,;5.78,-1.21,;3.2,-1.9,;4.69,-2.3,;-4.24,-1.15,;-2.7,-1.16,;-5.78,-1.15,;-4.24,-2.69,;-2.91,-3.46,;-1.57,-2.69,;-.24,-3.46,;-.24,-5,;1.1,-5.77,;-1.57,-5.77,;-2.91,-5,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C1CC1)S(=O)(=O)NCC(C)(C)O
CC(C)c1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C(C)(C)C)S(=O)(=O)NCC(C)(C)O
CC(C)c1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,(5.5,-7.2,;4.73,-5.87,;3.19,-5.87,;2.71,-4.41,;3.96,-3.5,;5.2,-4.41,;1.38,-3.64,;.04,-4.41,;-1.29,-3.64,;-1.29,-2.1,;.04,-1.33,;1.38,-2.1,;2.71,-1.33,;-2.62,-4.41,;-2.62,-5.95,;-3.96,-6.72,;-5.29,-5.95,;-5.29,-4.41,;-3.96,-3.64,;-3.96,-2.1,;-3.96,-8.26,;-2.42,-8.26,;-5.5,-8.26,;-3.96,-9.8,;-2.62,-10.57,;-2.22,-12.05,;-.74,-11.66,;.6,-12.43,;-1.14,-10.17,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1C[C@H](O)C1 |r,wU:24.26,wD:26.29,(5.5,-7.2,;4.73,-5.87,;3.19,-5.87,;2.71,-4.41,;3.96,-3.5,;5.2,-4.41,;1.38,-3.64,;.04,-4.41,;-1.29,-3.64,;-1.29,-2.1,;.04,-1.33,;1.38,-2.1,;2.71,-1.33,;-2.62,-4.41,;-2.62,-5.95,;-3.96,-6.72,;-5.29,-5.95,;-5.29,-4.41,;-3.96,-3.64,;-3.96,-2.1,;-3.96,-8.26,;-2.42,-8.26,;-5.5,-8.26,;-3.96,-9.8,;-2.62,-10.57,;-1.14,-10.17,;-.74,-11.66,;.6,-12.43,;-2.22,-12.05,)|
C[C@H](O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1
COC1(C)CN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1CCNC(=O)C1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@H]1CCCO1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)CO
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCOCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCCCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC(CO)C1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(F)(F)F
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC(F)(F)C1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)CO
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CC1
COC1(C)CN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC(CO)C1CCOC1
CON(C)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC[C@@H](O)C1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1CCNC(=O)C1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCC1
CCN1CCCC1CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC(C)(O)C1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCN
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC[C@H](O)C1 |r|
CC(C)N1CCC(CC1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1CCCCO1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(F)F
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC(CO)C1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1CCOC1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)(F)F
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1CCCO1 |r|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(CO)no1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C(=O)N1CCOCC1)S(=O)(=O)NCC(C)(C)O
CN(C)C(=O)c1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
CCCONS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
CC(C)ONS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
CONS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(F)(F)F
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCOCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)COC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCOCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)COC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCOCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1C[C@H](O)C1 |r,wU:27.30,wD:25.27,(7.68,-1.27,;6.91,.07,;7.81,1.31,;6.91,2.56,;5.45,2.08,;5.45,.54,;4.11,2.85,;2.78,2.08,;1.44,2.85,;1.44,4.39,;2.78,5.16,;4.11,4.39,;5.45,5.16,;.11,2.08,;.11,.54,;-1.22,-.23,;-2.56,.54,;-2.56,2.08,;-1.22,2.85,;-1.22,4.39,;-1.22,-1.77,;.32,-1.77,;-2.76,-1.77,;-1.22,-3.31,;-2.56,-4.08,;-4.1,-4.08,;-5.19,-2.99,;-6.27,-4.08,;-7.81,-4.08,;-5.19,-5.16,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)COC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CCCO1
Cc1ccc(cc1-c1cnc(N)c(c1)-c1ccn(C)c1)S(=O)(=O)NCC(C)(C)O
Cc1nc(cs1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cnn(c1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1c(cnn1C)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1oncc1-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cn(C)nn1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1ccno1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C(F)(F)F)S(=O)(=O)NCC(C)(C)O
CN(C)Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)COC1
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)COC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(C)COC1
Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(no1)C(F)F)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.28,wD:29.32,(-2.34,5,;-2.34,3.46,;-3.68,2.69,;-3.68,1.15,;-2.34,.38,;-1.01,1.15,;-1.01,2.69,;.33,3.47,;.33,5,;1.66,5.77,;2.99,5,;4.33,5.78,;2.99,3.47,;1.66,2.7,;4.33,2.69,;4.33,1.15,;5.79,.68,;6.7,1.92,;5.79,3.17,;6.19,-.81,;5.1,-1.9,;7.68,-1.21,;-2.34,-1.16,;-3.88,-1.16,;-.8,-1.16,;-2.34,-2.7,;-3.68,-3.47,;-3.68,-5.01,;-5.01,-5.78,;-6.34,-5.01,;-7.68,-5.78,;-6.34,-3.47,;-5.01,-2.69,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(no1)C(F)F)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)Nc1cccc(C)n1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCO
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(N)(=O)=O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(N)(=O)=O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1C[C@H](CO)C1 |r,wU:24.26,26.29,(4.78,-6.84,;4.01,-5.51,;4.48,-4.05,;3.24,-3.14,;1.99,-4.05,;2.47,-5.51,;.66,-3.28,;-.68,-4.05,;-2.01,-3.28,;-2.01,-1.74,;-.68,-.97,;.66,-1.74,;1.99,-.97,;-3.34,-4.05,;-3.34,-5.59,;-4.68,-6.36,;-6.01,-5.59,;-6.01,-4.05,;-4.68,-3.28,;-4.68,-1.74,;-4.68,-7.9,;-6.22,-7.9,;-3.14,-7.9,;-4.68,-9.44,;-3.34,-10.21,;-2.94,-11.69,;-1.46,-11.29,;-.12,-12.06,;1.21,-11.29,;-1.86,-9.81,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1C[C@H](CO)C1 |r,wU:24.26,wD:26.29,(4.78,-6.84,;4.01,-5.51,;4.48,-4.05,;3.24,-3.14,;1.99,-4.05,;2.47,-5.51,;.66,-3.28,;-.68,-4.05,;-2.01,-3.28,;-2.01,-1.74,;-.68,-.97,;.66,-1.74,;1.99,-.97,;-3.34,-4.05,;-3.34,-5.59,;-4.68,-6.36,;-6.01,-5.59,;-6.01,-4.05,;-4.68,-3.28,;-4.68,-1.74,;-4.68,-7.9,;-6.22,-7.9,;-3.14,-7.9,;-4.68,-9.44,;-3.34,-10.21,;-1.86,-9.81,;-1.46,-11.29,;-.12,-12.06,;1.21,-11.29,;-2.94,-11.69,)|
Cc1cc(ccn1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:25.27,wD:28.31,(8.67,3.46,;7.34,2.69,;6,3.47,;4.67,2.69,;4.67,1.16,;6,.38,;7.34,1.16,;3.33,3.47,;2,2.7,;.67,3.47,;.67,5,;2,5.77,;3.33,5,;4.67,5.78,;-.67,2.69,;-.67,1.15,;-2,.38,;-3.33,1.15,;-3.33,2.69,;-2,3.46,;-2,5,;-2,-1.16,;-3.54,-1.16,;-.46,-1.16,;-2,-2.7,;-3.33,-3.47,;-3.33,-5.01,;-4.67,-5.78,;-6,-5.01,;-7.34,-5.78,;-8.67,-5.01,;-6,-3.47,;-4.67,-2.69,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(CC(F)(F)F)no1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:28.30,wD:31.34,(-2.94,5,;-2.94,3.47,;-4.27,2.69,;-4.27,1.15,;-2.94,.38,;-1.61,1.15,;-1.61,2.69,;-.27,3.47,;-.27,5,;1.06,5.78,;2.4,5,;3.73,5.78,;2.4,3.47,;1.06,2.69,;3.73,2.69,;3.73,1.15,;5.19,.68,;5.96,-.65,;7.5,-.65,;8.27,-1.99,;8.27,.68,;6.73,.68,;6.1,1.93,;5.19,3.17,;-2.94,-1.15,;-1.4,-1.15,;-4.48,-1.15,;-2.94,-2.69,;-4.27,-3.47,;-4.27,-5,;-5.61,-5.78,;-6.94,-5,;-8.27,-5.78,;-6.94,-3.47,;-5.61,-2.69,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(CC(F)(F)F)no1)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(no1)C1CC1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-n1cncn1)S(=O)(=O)NCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,(6.06,9.48,;4.52,9.48,;3.61,8.23,;2.15,8.71,;2.15,10.25,;3.61,10.72,;.82,11.02,;-.52,10.25,;-1.85,11.02,;-1.85,12.56,;-.52,13.33,;.82,12.56,;2.15,13.33,;-3.19,10.25,;-3.19,8.71,;-4.52,7.94,;-5.85,8.71,;-5.85,10.25,;-4.52,11.02,;-4.52,12.56,;-4.52,6.4,;-2.98,6.4,;-6.06,6.4,;-4.52,4.86,;-3.19,4.09,;-2.79,2.6,;-1.3,3,;.03,2.23,;-1.7,4.48,)|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1C[C@H](O)C1 |r,wU:24.26,wD:26.29,(6.06,9.48,;4.52,9.48,;3.61,8.23,;2.15,8.71,;2.15,10.25,;3.61,10.72,;.82,11.02,;-.52,10.25,;-1.85,11.02,;-1.85,12.56,;-.52,13.33,;.82,12.56,;2.15,13.33,;-3.19,10.25,;-3.19,8.71,;-4.52,7.94,;-5.85,8.71,;-5.85,10.25,;-4.52,11.02,;-4.52,12.56,;-4.52,6.4,;-2.98,6.4,;-6.06,6.4,;-4.52,4.86,;-3.19,4.09,;-1.7,4.48,;-1.3,3,;.03,2.23,;-2.79,2.6,)|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC(CO)C1 |(6.06,3.4,;4.52,3.4,;3.61,2.15,;2.15,2.63,;2.15,4.17,;3.61,4.64,;.82,4.94,;-.52,4.17,;-1.85,4.94,;-1.85,6.48,;-.52,7.25,;.82,6.48,;2.15,7.25,;-3.19,4.17,;-3.19,2.63,;-4.52,1.86,;-5.85,2.63,;-5.85,4.17,;-4.52,4.94,;-4.52,6.48,;-4.52,.32,;-2.98,.32,;-6.06,.32,;-4.52,-1.22,;-4.52,-2.76,;-5.61,-3.85,;-4.52,-4.94,;-4.52,-6.48,;-3.19,-7.25,;-3.43,-3.85,)|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)COC1
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)CO
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCO
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1C[C@H](O)C1 |r,wU:25.27,27.30,(5.15,.82,;4.38,2.15,;2.92,2.63,;2.92,4.17,;4.38,4.64,;5.29,3.4,;1.59,4.94,;.25,4.17,;-1.08,4.94,;-1.08,6.48,;.25,7.25,;1.59,6.48,;2.92,7.25,;-2.42,4.17,;-2.42,2.63,;-3.75,1.86,;-5.08,2.63,;-5.08,4.17,;-3.75,4.94,;-3.75,6.48,;-3.75,.32,;-2.21,.32,;-5.29,.32,;-3.75,-1.22,;-2.42,-1.99,;-2.42,-3.53,;-3.5,-4.62,;-2.42,-5.71,;-2.42,-7.25,;-1.33,-4.62,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(c(F)cc1C)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@H]1CCOC1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1CCOC1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(c(Cl)cc1C)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(c(Cl)cc1C)S(=O)(=O)NCC(C)(C)O
Cc1cnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1nc(cs1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(6.06,2.56,;4.52,2.56,;3.61,3.81,;2.15,3.33,;2.15,1.79,;3.61,1.32,;.82,4.1,;-.52,3.33,;-1.85,4.1,;-1.85,5.64,;-.52,6.41,;.82,5.64,;2.15,6.41,;-3.19,3.33,;-3.19,1.79,;-4.52,1.02,;-5.85,1.79,;-5.85,3.33,;-4.52,4.1,;-4.52,5.64,;-4.52,-.52,;-2.98,-.52,;-6.06,-.52,;-4.52,-2.06,;-3.43,-3.15,;-3.83,-4.63,;-2.74,-5.72,;-1.25,-5.32,;-.16,-6.41,;-.85,-3.84,;-1.94,-2.75,)|
Cc1nc(cs1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnco1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1ncco1)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1C[C@H](O)C1 |r,wU:27.30,wD:25.27,(7.68,-1.27,;6.91,.07,;5.45,.54,;5.45,2.08,;6.91,2.56,;7.81,1.31,;4.11,2.85,;2.78,2.08,;1.44,2.85,;1.44,4.39,;2.78,5.16,;4.11,4.39,;5.45,5.16,;.11,2.08,;.11,.54,;-1.22,-.23,;-2.56,.54,;-2.56,2.08,;-1.22,2.85,;-1.22,4.39,;-1.22,-1.77,;.32,-1.77,;-2.76,-1.77,;-1.22,-3.31,;-2.56,-4.08,;-4.1,-4.08,;-5.19,-2.99,;-6.27,-4.08,;-7.81,-4.08,;-5.19,-5.16,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC[C@@H](O)C1 |r|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(10.26,-1.16,;8.72,-1.16,;7.82,-2.4,;6.35,-1.92,;6.35,-.39,;7.82,.09,;5.02,.39,;3.69,-.39,;2.35,.39,;2.35,1.92,;3.69,2.69,;5.02,1.92,;6.35,2.69,;1.02,-.39,;-.31,.39,;-1.65,-.39,;-1.65,-1.92,;-.31,-2.69,;1.02,-1.92,;2.35,-2.69,;-2.98,.39,;-2.21,1.72,;-3.75,-.95,;-4.31,1.16,;-5.8,.76,;-6.89,1.85,;-8.38,1.45,;-8.78,-.04,;-10.26,-.44,;-7.69,-1.13,;-6.2,-.73,)|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.96,1.92,;6.42,1.92,;5.51,.68,;4.05,1.15,;4.05,2.69,;5.51,3.17,;2.71,3.47,;1.38,2.7,;.05,3.47,;.05,5.01,;1.38,5.77,;2.71,5.01,;4.05,5.78,;-1.29,2.69,;-1.29,1.15,;-2.62,.38,;-3.96,1.15,;-3.96,2.69,;-2.62,3.46,;-2.62,5,;-2.62,-1.16,;-1.08,-1.16,;-4.16,-1.16,;-2.62,-2.7,;-3.96,-3.47,;-3.96,-5.01,;-5.29,-5.77,;-6.62,-5.01,;-7.96,-5.78,;-6.62,-3.47,;-5.29,-2.7,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(c(F)cc1C)S(=O)(=O)NOCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(c(C)cc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1COC[C@H]1O |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC[C@H]1O |r|
C[C@H]1CN(C[C@@H]1O)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1nnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H](CO)C(F)(F)F |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H](CO)C(F)(F)F |r|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CC(O)C1 |(6.06,3.4,;4.52,3.4,;3.61,2.15,;2.15,2.63,;2.15,4.17,;3.61,4.64,;.82,4.94,;-.52,4.17,;-1.85,4.94,;-1.85,6.48,;-.52,7.25,;.82,6.48,;2.15,7.25,;-3.19,4.17,;-3.19,2.63,;-4.52,1.86,;-5.85,2.63,;-5.85,4.17,;-4.52,4.94,;-4.52,6.48,;-4.52,.32,;-6.06,.32,;-2.98,.32,;-4.52,-1.22,;-3.19,-1.99,;-3.19,-3.53,;-4.27,-4.62,;-3.19,-5.71,;-3.19,-7.25,;-2.1,-4.62,)|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)CO
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC(O)C1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCO
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCCO
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)COC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CCCOC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)(F)F
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:27.30,wD:24.26,(6.06,1.93,;4.52,1.93,;3.61,.68,;2.15,1.15,;2.15,2.69,;3.61,3.17,;.82,3.47,;-.52,2.69,;-1.85,3.47,;-1.85,5,;-.52,5.78,;.82,5,;2.15,5.78,;-3.19,2.69,;-3.19,1.15,;-4.52,.38,;-5.85,1.15,;-5.85,2.69,;-4.52,3.47,;-4.52,5,;-4.52,-1.15,;-6.06,-1.15,;-2.98,-1.15,;-4.52,-2.69,;-3.19,-3.47,;-3.19,-5,;-1.85,-5.78,;-.52,-5,;.82,-5.78,;2.15,-5,;-.52,-3.47,;-1.85,-2.69,)|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC1
CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cnc(C)o1
Cc1nnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)n1)S(=O)(=O)NCCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOCC(C)(C)O
CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(c(F)cc1C)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1ccn(C)n1)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cccc(c1)S(=O)(=O)NCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CCC[C@H](O)C1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(c(C)cc1F)S(=O)(=O)NCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC(CO)C(F)(F)F
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCOCC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC(O)(C1)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnc(o1)C1CC1)S(=O)(=O)NCC(C)(C)O
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r|
C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CCC4)C(N)=O)ccc3-c2n1 |r|
OC(=N)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C1CC1 |r|
C[C@@H]1COC(=O)N1c1cn2CCOc3cc(N[C@@H](C4CC4)C(N)=O)ccc3-c2n1 |r|
NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C1CC1 |r|
C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C(N)=O |r|
CC[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r|
CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r|
CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r|
NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F |r|
C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O |r|
CC(C)C(Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O |w:3.2|
C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O |r|
C[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1C)C(N)=O |r|
CCn1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r|
CC(C)n1ncnc1-c1cn2CCOc3cc(OC(C4CC4)C(N)=O)ccc3-c2n1 |w:18.23|
CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N(C)[C@@H](C)C(N)=O |r|
CC(C)(O)Cn1cc(cn1)-c1ccc2-c3nc(sc3CCOc2c1)N1C(=O)OCC1(C)C
CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(F)c2c(=O)n1C1CC1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(C)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(C)c2c(=O)n1C1CC1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1noc(C)n1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1-c1nnn(C)n1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1-c1ncn(C)n1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
CC[C@H](Nc1ncnc(N)c1-c1noc(C)n1)c1cc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1ccon1)c1cc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1noc(C)n1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nc(CC)no1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3oc(NC(C)=O)nc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3nc(NC(C)=O)oc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3nc(N)oc3c2)c2c(N)ncnc12
Nc1nc2cc(ccc2o1)-c1nn(C2CCOCC2)c2ncnc(N)c12
Nc1nc2cc(ccc2o1)-c1nn(C2CCC(CC2)N2CCOCC2)c2ncnc(N)c12 |(4.74,8.63,;3.41,7.86,;3.41,6.32,;1.95,5.84,;1.32,4.44,;-.21,4.28,;-1.12,5.52,;-.49,6.93,;1.04,7.09,;1.95,8.34,;-.61,2.79,;.29,1.54,;-.61,.3,;-.21,-1.19,;-1.3,-2.28,;-.9,-3.77,;.58,-4.17,;1.67,-3.08,;1.27,-1.59,;.98,-5.65,;-.11,-6.74,;.29,-8.23,;1.78,-8.63,;2.87,-7.54,;2.47,-6.05,;-2.08,.77,;-3.41,0,;-4.74,.77,;-4.74,2.31,;-3.41,3.08,;-3.41,4.62,;-2.08,2.31,)|
CC(=O)N1CCC(CC1)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
CC(C)n1cc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
Nc1nc2cc(ccc2o1)-c1cn(C2CCOCC2)c2ncnc(N)c12
CNc1noc2cc(ccc12)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)n1nc(-c2ccc3c(NC4CC4)noc3c2)c2c(N)ncnc12
CNc1noc2ccc(cc12)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)n1nc(-c2ccc3onc(NC4CC4)c3c2)c2c(N)ncnc12
Nc1noc2ccc(cc12)-c1nn(CC(=O)N2CCOCC2)c2ncnc(N)c12
Nc1noc2ccc(cc12)-c1nn(CCN2CCOCC2)c2ncnc(N)c12
COC(=O)Nc1noc2ccc(cc12)-c1nn(C(C)C)c2ncnc(N)c12
COC(=O)Nc1noc2cc(ccc12)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(C)nc12
CC(CO)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
CCOC(=O)C(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
Nc1nc2cc(ccc2o1)-c1nn(C2CC(=O)C2)c2ncnc(N)c12
Nc1nc2cc(ccc2o1)-c1nn(C2CC(O)C2)c2ncnc(N)c12 |(4.74,6.71,;3.41,5.94,;3.41,4.4,;1.95,3.92,;1.32,2.51,;-.21,2.35,;-1.12,3.6,;-.49,5,;1.04,5.17,;1.95,6.41,;-.61,.86,;.29,-.38,;-.61,-1.63,;-.21,-3.11,;-.98,-4.45,;.35,-5.22,;.75,-6.71,;1.12,-3.88,;-2.08,-1.15,;-3.41,-1.92,;-4.74,-1.15,;-4.74,.39,;-3.41,1.16,;-3.41,2.7,;-2.08,.39,)|
CC(C)(CO)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1cccc2cc([nH]c12)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCCC1
CC(C)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3cc(O)cc(F)c3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3c(Cl)c(O)ccc3[nH]2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCCCC1
CCOC(=O)Cn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCN(CC1)C(=O)C1CC1
CC(C)n1nc(-c2cc3cc(O)c(Cl)cc3[nH]2)c2c(N)ncnc12
Nc1ncnc2n(CCN3CCOCC3)nc(-c3cc4cc(O)ccc4[nH]3)c12
Nc1ncnc2n(CC(=O)N3CCOCC3)nc(-c3cc4cc(O)ccc4[nH]3)c12
CNC(=O)Cn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCCC1
CC(C)n1nc(-c2cc3c(O)cccc3[nH]2)c2c(N)ncnc12
Nc1ncnc2n(Cc3cccnc3)nc(-c3cc4cc(O)ccc4[nH]3)c12
CC(C)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12
COCCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCN(CC1)C(=O)C1CC1
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCOCC1
CNC(=O)CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cc1nccn1CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3cc4c(Cl)cccc4[nH]3)c12)C1CCOCC1
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CC(C1)N1CCOCC1 |(-2.36,3.11,;-2.36,1.57,;-3.69,.8,;-3.69,-.74,;-2.36,-1.51,;-1.02,-.74,;.44,-1.22,;1.35,.03,;.44,1.27,;.84,2.76,;-.06,4,;.84,5.25,;.52,6.76,;1.67,7.79,;1.27,9.27,;3.13,7.31,;3.45,5.8,;2.31,4.77,;2.31,3.23,;-1.02,.8,;.84,-2.71,;.07,-4.04,;1.4,-4.81,;2.17,-3.48,;1.8,-6.3,;.71,-7.39,;1.11,-8.88,;2.6,-9.27,;3.69,-8.19,;3.29,-6.7,)|
CC(C)n1nc(-c2cc3cccc(Cl)c3[nH]2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3cc4cccc(Cl)c4[nH]3)c12)C1CCOCC1
CN1CCN(CC1)C1CC(C1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 |(3.02,-10.82,;2.62,-9.33,;1.06,-8.91,;.71,-7.39,;1.8,-6.3,;3.29,-6.7,;3.76,-8.19,;1.4,-4.81,;.07,-4.04,;.84,-2.71,;2.17,-3.48,;.44,-1.22,;1.35,.03,;.44,1.27,;.84,2.76,;-.06,4,;.84,5.25,;.52,6.76,;1.67,7.79,;1.27,9.27,;3.13,7.31,;3.45,5.8,;2.31,4.77,;2.31,3.23,;-1.02,.8,;-2.36,1.57,;-2.36,3.11,;-3.69,.8,;-3.69,-.74,;-2.36,-1.51,;-1.02,-.74,)|
COc1ccc(Cl)c2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCOCC1
COc1cccc2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12
CC(C)N1CCC(CC1)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc12
CC(=O)N1CCC(CC1)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12
COc1cccc2cc([nH]c12)-c1nn(C2CCN(CC2)C(=O)C2CC2)c2ncnc(N)c12
COc1cc(Cl)c2[nH]c(cc2c1)-c1nn(C2CCOCC2)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c12)C1CCOCC1
CC(=O)N1CCC(CC1)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12
CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12
CC(C)N1CCC(CC1)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCCc1cccnc1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCCN1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC2(COC2)CC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CC(O)C1
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN2[C@@H](COCC2=O)C1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1=O
Cc1nn(C)cc1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)C(C)(C)C(N)=O
Cc1nn(C)cc1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)C1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)C(C)(C)C(N)=O
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)C1CCOCC1
Cc1nn(C)cc1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)C(C)(C)O
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC[C@@H](C1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)C(C)(C)O
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCS(=O)(=O)CC1
Cc1n[nH]c(C)c1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
Cn1cc(c(n1)C(F)(F)F)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
CC(C)n1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
FC(F)(F)c1n[nH]cc1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCNCC1
CCn1c(nc2c(nc(nc12)-c1cnn(C)c1)N1CCOCC1)C(=O)N1CCC(CC1)N(C)C
CCn1c(nc2c(nc(nc12)C1=CC(C)C=C1)N1CCOCC1)C(=O)NN1CCC(CC1)N1CCOCC1 |c:17,t:13|
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc(C(=O)N3CCC(CC3)N3CCOCC3)n(C)c2n1
CN(C)C1CCN(CC1)C(=O)c1nc2c(nc(nc2n1C)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)C(=O)c1ncccn1
CC(=O)NC1CCN(CC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)c1ncccn1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)NS(C)(=O)=O
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)C(=O)Cc1cnccn1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCn2ccnc2C1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCNC(=O)C1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)c1ccccc1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NC1CCCCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)S(C)(=O)=O
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)c1ccccc1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCC1CCCCC1
CC(=O)N[C@H]1CCN(C1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CC[C@H](C1)NS(C)(=O)=O
CC(=O)N1CCN(CC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cc1c(cnn1C)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
Cc1nn(C)cc1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
O=C(N1CCC(CC1)N1CCOCC1)c1nc2c(nc(nc2[nH]1)-c1cn[nH]c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
CN(C)[C@H]1CCN(C1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
CCOC(=O)CN1CCN(CC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
CN1CCN(CC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
CN1CCC(CC1)NC(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
CN(C)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NC1CCN(Cc2ccccc2)CC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC(O)=O)CC1
CCOC(=O)CC1CCN(CC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
COCCNC(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCCCC1
CN(C)C1CCN(CC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cn[nH]c1)N1CCOCC1
CCCn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N(C)C
CCn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N(C)C
CN(C)C1CCN(CC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
CCN(CCN1CCOCC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
CN(CCN1CCOCC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc(C(=O)NCCN3CCOCC3)n(C)c2n1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CC[C@H](O)C1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCCCN1CCOCC1
CN1CCCC1CCNC(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cn[nH]c1)N1CCOCC1
Cc1n[nH]cc1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc(C(=O)NCCCN3CCOCC3)n(C)c2n1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCCCN1CCCC1=O
CCN(CCCN1CCOCC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
CN1CCN(CCNC(=O)c2nc3c(nc(nc3[nH]2)-c2cnn(C)c2)N2CCOCC2)CC1
Cc1nn(C)cc1-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCC1(CO)COC1
O=C(N1CCC2(COC2)CC1)c1nc2c(nc(nc2[nH]1)-c1cn[nH]c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc(C(=O)NCCCN3CCCC3=O)n(C)c2n1
O=C(N1CCC(CC1)N1CCOCC1=O)c1nc2c(nc(nc2[nH]1)-c1cn[nH]c1)N1CCOCC1
C[C@H]1CN(CCCNC(=O)c2nc3c(nc(nc3[nH]2)-c2cnn(C)c2)N2CCOCC2)C[C@@H](C)O1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCC(C)(C)CO
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1=O
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC2(COC2)CC1
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC2(COC2)CC1
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCN2[C@@H](COCC2=O)C1
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCN(CC1)C1CCOCC1
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCN(CC1)C(C)(C)C(N)=O
Cc1nn(C)cc1-c1nc2n(CC3CC3)c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)N1CCOCC1
Cc1nn(C)cc1-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)C(C)(C)O
Cc1nn(C)cc1-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)C(N)=O
Cc1nn(C)cc1-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(O)CC1
Cc1nn(C)cc1-c1nc2n(C)c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)N1CCOCC1
Cc1nn(C)c(C)c1-c1nc2[nH]c(nc2c(N2CCOCC2)c1C)C(=O)N1CCC(CC1)N1CCOCC1 |(-3.68,-6.05,;-4.83,-5.02,;-6.33,-5.34,;-7.1,-4.01,;-8.63,-3.85,;-6.07,-2.86,;-6.39,-1.36,;-4.67,-3.49,;-3.33,-2.72,;-2,-3.49,;-.66,-2.72,;.8,-3.2,;1.7,-1.95,;.8,-.7,;-.66,-1.18,;-2,-.41,;-2,1.13,;-3.33,1.9,;-3.33,3.44,;-2,4.21,;-.66,3.44,;-.66,1.9,;-3.33,-1.18,;-4.67,-.41,;3.24,-1.95,;4.01,-3.28,;4.01,-.62,;3.24,.72,;4.01,2.05,;5.55,2.05,;6.32,.72,;5.55,-.62,;6.32,3.38,;5.55,4.72,;6.32,6.05,;7.86,6.05,;8.63,4.72,;7.86,3.38,)|
Cc1nn(C)cc1-c1nc2[nH]c(nc2c(N2CCOCC2)c1C)C(=O)N1CCC(CC1)N1CCOCC1
Cc1c(nc2[nH]c(nc2c1N1CCOCC1)C(=O)N1CCC(CC1)N1CCOCC1)-c1cnn(C)c1
Cc1nn(C)cc1-c1nc2[nH]c(nc2c(N2CCOCC2)c1Cl)C(=O)N1CCC(CC1)N1CCOCC1
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1Cl)C(=O)N1CCC(CC1)N1CCOCC1
Cc1nn(C)c(C)c1-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)N1CCOCC1 |(-3.68,-6.05,;-4.83,-5.02,;-6.33,-5.34,;-7.1,-4.01,;-8.63,-3.85,;-6.07,-2.86,;-6.39,-1.36,;-4.67,-3.49,;-3.33,-2.72,;-2,-3.49,;-.66,-2.72,;.8,-3.2,;1.7,-1.95,;.8,-.7,;-.66,-1.18,;-2,-.41,;-2,1.13,;-3.33,1.9,;-3.33,3.44,;-2,4.21,;-.66,3.44,;-.66,1.9,;-3.33,-1.18,;-4.67,-.41,;3.24,-1.95,;4.01,-3.28,;4.01,-.62,;3.24,.72,;4.01,2.05,;5.55,2.05,;6.32,.72,;5.55,-.62,;6.32,3.38,;5.55,4.72,;6.32,6.05,;7.86,6.05,;8.63,4.72,;7.86,3.38,)|
Cc1nn(C)cc1-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
Cc1c(cnn1C)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)N1CCOCC1
Cc1nn(C)cc1-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)N1CCOCC1
CN(C)C1CCN(CC1)C(=O)c1nc2c(N3CCOCC3)c(F)c(nc2[nH]1)-c1cn(C)nc1C
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)N1CCOCC1
CN(C)C1CCN(CC1)C(=O)c1nc2c(N3CCOCC3)c(F)c(nc2[nH]1)-c1cnn(C)c1
CN(C)C1CCN(CC1)C(=O)c1nc2c(cc(nc2n1C)-c1cnn(C)c1)N1CCOCC1
CN(C)C1CCN(CC1)C(=O)c1nc2c(cc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCCN1CCOCC1
Cc1nn(C)cc1-c1cc(N2CCOCC2)c2nc(C(=O)N3CCC(CC3)N3CCOCC3)n(C)c2n1
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)NCCN1CCOCC1
CC1C=CC(=C1)c1cc(N2CCOCC2)c2nc(C(=O)NN3CCC(CC3)N3CCOCC3)n(C)c2n1 |c:2,4|
Cc1nn(C)cc1-c1nc2n(C)c(nc2c(N2CCOCC2)c1F)C(=O)N1CCC(CC1)C(C)(C)O
CC1C=CC(=C1)c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)NN1CCC2(COC2)CC1 |c:2,4|
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1nc2c(cc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1nc2c(cc(nc2n1C)-c1cnn(C)c1)N1CCOCC1
CC1C=CC(=C1)c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)NN1CCC(CC1)N1CCOCC1 |c:2,4|
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1nc2c(N3CCOCC3)c(F)c(nc2n1C)-c1cn(C)nc1C
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1nc2c(cc(nc2[nH]1)-c1cn(C)nc1C)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1nc2c(cc(nc2n1C)-c1cn(C)nc1C)N1CCOCC1
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCCCN1CCOCC1
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)NCCCN1CCCC1=O
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)C(C)(C)O
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1nc2c(cc(nc2[nH]1)-c1cn[nH]c1)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)C1CN(C1)C(=O)c1nc2c(cc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CC(C1)N1CCOCC1
CN(C1CCN(CC1)C1CCOCC1)C(=O)c1nc2c(cc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
Cn1cc(cn1)-c1nc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC2(CNC(=O)C2)CC1
Fc1c(nc2[nH]c(nc2c1N1CCOCC1)C(=O)N1CCC(CC1)N1CCOCC1)-c1c[nH]nc1C(F)(F)F
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)NCCCN1CCOCC1
Fc1c(nc2[nH]c(nc2c1N1CCOCC1)C(=O)N1CCC(CC1)N1CCOCC1)-c1cn[nH]c1
Cn1cc(cn1)-c1nc2[nH]c(nc2c(N2CCOCC2)c1F)C(=O)N1CC(C1)N1CCOCC1
C[C@H]1CN(C[C@@H](C)O1)C1CN(C1)C(=O)c1nc2c(N3CCOCC3)c(F)c(nc2[nH]1)-c1cnn(C)c1
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CC(C1)N1CCNC(=O)C1
CN1CCN(CC1=O)C1CN(C1)C(=O)c1nc2c(cc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
CN1CCN(CC1=O)C1CN(C1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
CN(C1CCN(CC1)C1COC1)C(=O)c1nc2c(cc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
CN(C1CCN(CC1)C1COC1)C(=O)c1nc2c(nc(nc2[nH]1)-c1cnn(C)c1)N1CCOCC1
O=C(N1CCC(CC1)N1CCOCC1)c1nc2c(cc(nc2[nH]1)-c1cn[nH]c1)N1CCOCC1
FC(F)(F)c1n[nH]cc1-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCC(CC1)N1CCOCC1
Cn1cc(cn1)-c1cc(N2CCOCC2)c2nc([nH]c2n1)C(=O)N1CCN(CC1)C1CCOCC1
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1ncc2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2ccn(C)n2)c2c(N)ncnc12
COc1c(cc(F)c(F)c1C1CN(C[C@@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)c1OCC
COc1c(cc(Cl)c(C)c1C1CN(CC(N)=O)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(C#N)c(C)c1C1CN(CC(F)(F)F)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(cc(C#N)c(C)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(cc(C#N)c(C)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12 |r|
COc1c(cc(C#N)c(C)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
CNC(=O)[C@H](C)N1CC(C1)c1c(C)c(cc(C(C)n2nc(C(F)F)c3c(N)ncnc23)c1OC)C#N |r|
COc1c(cc(C#N)c(C)c1C1CN(CC(F)F)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CC(O)C1)C(C)n1nc(C)c2c(N)ncnc12 |(.77,1.41,;-.56,2.18,;-1.9,1.41,;-1.9,-.13,;-3.23,-.9,;-4.56,-.13,;-5.9,-.9,;-4.56,1.41,;-5.9,2.18,;-3.23,2.18,;-3.23,3.72,;-2.14,4.81,;-3.23,5.9,;-3.23,7.44,;-4.32,4.81,;-.56,-.9,;.77,-.13,;-.56,-2.44,;-1.81,-3.34,;-1.33,-4.81,;-2.1,-6.14,;.21,-4.81,;1.24,-5.95,;.84,-7.44,;2.74,-5.63,;3.22,-4.17,;2.19,-3.02,;.68,-3.34,)|
CNC(=O)c1cc(cnc1CCN)-c1c(C)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC
CCOc1c(cc(Cl)c(C)c1-c1ccnc(C(=O)NCCO)c1C)C(C)n1nc(C)c2c(N)ncnc12 |(-5.43,5.59,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;1.63,5.45,;3.13,5.13,;1.15,6.91,;2.18,8.06,;-.36,7.23,;-.83,8.7,;.2,9.84,;-.28,11.31,;-1.78,11.63,;-2.81,10.48,;-4.32,10.8,;-5.35,9.66,;-4.8,12.27,;-6.3,12.59,;-6.78,14.05,;-8.28,14.37,;-2.34,9.02,;-3.37,7.87,;-1.94,3.48,;-3.45,3.8,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,)|
CCOc1c(cc(Cl)c(C)c1-c1cnn(CC(N)=O)c1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CNC1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)CO)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCOC1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC2CCOC2)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)(C)[C@H](C)OC(C)(C)C)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)(C)CO)C(C)n1nc(C)c2c(N)ncnc12
CCOC(=O)C(C)(C)N1CC(C1)c1c(OCC)c(cc(Cl)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)(C)C(N)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)=O)C(C)N1NC(C)(C)c2c1nc(N)nc2N
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)C(C)(C)O)C(C)n1nc(C)c2c(N)ncnc12
CCOC1C(C=C(Cl)C(C#N)C1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12 |t:5|
COc1c(cc(Cl)c(C#N)c1C1CNC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)CO)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCOC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(CC2CCOC2)C1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)=O)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)C1CC1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)S(C)(=O)=O)C(C)n1nc(C)c2c(N)ncnc12
COC(=O)N1CC(C1)c1c(OC)c(cc(Cl)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)NC(C)(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(N)=O)C(C)n1nc(C)c2cncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(Cl)c1C1CN(C1)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(Cl)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)C)C(C)n1cc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(CCO)C1)C(C)n1cc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C[C@H](C)O)C1)C(C)n1cc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1cncnc1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1-c1ccc(nc1)C(=O)NC)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1-c1cncc(c1)S(C)(=O)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1-c1ccnc(c1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1-c1cnn(C)c1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(C)c(C#N)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1C1CNC(=O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CNC(=O)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1COC(=O)N1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C1CNC(=O)O1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CNC1)[C@H](C)n1nc(C)c2c(N)ncnc12
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCNC3)ncnc2n1C
CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(C)nc1
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)OCC(C)C)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)Oc3ccc4ccccc4c3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)OCc3ccccc3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)Oc3ccc(C)cc3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)Oc3ccccc3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)OCC(C)(C)C)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)Oc3cccc(c3)C(F)(F)F)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)Oc3ccc(OC)cc3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(CC3)C(=O)OC(C)(C)C)ncnc2n1C
COc1ncc(cc1C)-c1nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
Cc1ncc(cn1)-c1nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1ccc(cc1)-n1cccn1
Cc1nn(C)cc1-c1nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
Cc1ncc(-c2nc3c(OC4CCN(C4)C(=O)OC(C)(C)C)ncnc3n2C)n1C
Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1ccc(O)cc1
Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cn[nH]c1
CN(C)c1ccc(cn1)-c1nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
Cc1cc2cccc(-c3nc4c(OC5CCN(C5)C(=O)OC(C)(C)C)ncnc4n3C)c2[nH]1
Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnn2cccnc12
CC(=O)Nc1ccc(cc1)-c1nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1ccc(nc1)N1CCOCC1
Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1ccc(cc1)-n1ccnc1
Cc1n[nH]cc1-c1nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1ccc(nc1)N1CCCC1
Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cncc2ccccc12
Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1ccc2[nH]ncc2c1
CCn1ncc(c1C)-c1nc2c(OC3CC(C)N(C3)C(=O)OC(C)(C)C)ncnc2n1C
COC1CC(C1)c1nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C |(-8.15,-2.66,;-7.38,-4,;-5.84,-4,;-4.75,-2.91,;-3.66,-4,;-4.75,-5.09,;-2.12,-4,;-1.22,-2.75,;.25,-3.23,;1.58,-2.46,;1.58,-.92,;2.91,-.15,;4.38,-.62,;5.28,.62,;4.38,1.87,;2.91,1.39,;4.78,3.36,;3.69,4.45,;6.26,3.76,;6.66,5.24,;8.15,5.64,;5.57,6.33,;7.06,6.73,;2.91,-3.23,;2.91,-4.77,;1.58,-5.54,;.25,-4.77,;-1.22,-5.24,;-1.62,-6.73,)|
Cn1cnc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12
Cc1n[nH]c2ncc(cc12)-c1nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(OC)c(C)c1
CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(s1)C(C)(C)C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)OC)ncnc2n1C
CCOC(=O)N1CCC(C1)Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)OC(C)C)ncnc2n1C
Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(s1)C(C)(C)C
CCn1ncc(c1C)-c1nc2c(OC3CN(C3)C(=O)OC(C)(C)C)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(O[C@@H]3CCCN(C3)C(=O)OC(C)(C)C)ncnc2n1C |r|
CCOC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(OC3CN(CC3F)C(=O)OC(C)(C)C)ncnc12)-c1cnc(C)nc1
CCC1CN(CC1Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)OCc1ccccc1
CCn1c(nc2c(OC3CN(CC3O)C(=O)OC(C)(C)C)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(OC3CN(CC3(F)F)C(=O)OC(C)(C)C)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(O[C@H]3CCN([C@@H]3C)C(=O)OC(C)(C)C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OCCN(C)C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OCCCN(C)C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1ccc(OC(F)F)nc1 |r|
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)c3ccccc3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)C3CCCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)c3ccc4ccccc4c3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)C3CCCCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)COC)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)CC3CCOCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)c3cnco3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(O[C@@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)C3(C)CCOCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(CC3)C(=O)C3CCOCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(CC3)C(=O)c3ccccc3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(CC3)C(=O)C3CCCC3)ncnc2n1C
CCC(=O)N1CCC(CC1)Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)CC#N)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCCO3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc(C)on3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)CN3CCCC3=O)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cccc4ccccc34)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccc(cc3)N3CCN(C)CC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cccnc3)ncnc2n1C |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)ncnc2n1C |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3coc(C)n3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3nc(C)oc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cnon3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc(n[nH]3)C(C)C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cnn(c3)C(C)C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccno3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccn[nH]3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cnn4ccccc34)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3nonc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccnn3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccn(C)n3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc(C)nn3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3nccn3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3c[nH]nn3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cnn4cccnc34)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3nnc4CCCCn34)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3c[nH]nc3C(F)(F)F)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cn(C)nn3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cn4cccnc4n3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3nnsc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3nc4cc(Cl)ccn4n3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3[nH]ncc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3nnc(o3)N(C)C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3noc(n3)C(C)(C)O)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3conc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccnn3C(C)C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccc(C)nc3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc4occc4[nH]3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cn(C)nc3C(F)(F)F)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccnc(C)c3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ncoc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc(C)n(C)n3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cnoc3C3CC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc(nn3C)C(F)(F)F)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CN(C)C(=O)C3)ncnc2n1C |r|
CCn1ncc(C(=O)N2CC[C@@H](C2)Oc2ncnc3n(C)c(nc23)-c2cnn(CC)c2C)c1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccncc3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cnoc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccccn3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cccn3C)ncnc2n1C |r|
CCc1oncc1C(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3oncc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cnn4cc[nH]c34)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ocnc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cn[nH]c3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cncn3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3c(C)noc3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc(C)[nH]n3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc(nn3C)C(C)(C)C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CN(C(C)C)C(=O)C3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3c(C)nn(C)c3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc(C)n(C)c3C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cnn(C)c3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3nnc(C)o3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3nc(no3)C(C)(C)O)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc4ncccc4[nH]3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCc4nnnn34)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc4CCCn4n3)ncnc2n1C |r|
CCc1nc(C)c(o1)C(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cnoc3C(C)C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cocn3)ncnc2n1C |r|
CCC(=O)N1CCC(C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(OC)c(C)c1
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(C)=O)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)C(C)C)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)C(C)(C)C)ncnc2n1C
CCC(=O)N1CCC(C1)Oc1ncnc2n(CC)c(nc12)-c1cnn(CC)c1C
CCC(=O)N1CCC(C1)Oc1ncnc2n(C)c(nc12)-c1cnc(OC)c(C)c1
CCC(=O)N1CCC(C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(s1)C(C)(C)C
CCC(=O)N1CCC(C1)Oc1ncnc2n(C)c(nc12)-c1cnc(s1)C(C)(C)C
CCC(=O)N1CCC(C1)Oc1ncnc2n(C3CC3)c(nc12)-c1cnn(CC)c1C
CCn1c(nc2c(O[C@H]3CCN([C@@H]3C)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(OC3CN(CC3(F)F)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(OC3CN(CC3O)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3CCC[C@H]3N)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CNC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@H]3CCC[C@H]3N)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3CN4CC[C@H]3C4)ncnc12)-c1cnc(C)nc1 |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc2n1C |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3ccn(C)n3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H](N)C(C)C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3(N)CCC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)CC(C)(C)N)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(OC3CN(CC3OC)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
[#6]-[#6]-n1c(nc2c(-[#8]-[#6@H]-3-[#6]-[#6]-[#7](-[#6]-3)-[#6](=O)\[#6]=[#6](/[#6])-[#6])ncnc12)-c1cnc(-[#6])nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3C(C)C3C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC33CCCC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3C(F)F)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3(C)C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(C)C3)ncnc12)-c1cnc(C)nc1 |r,wD:8.7,(-1.31,-6.45,;-2.4,-5.36,;-2,-3.88,;-2.91,-2.63,;-2,-1.39,;-.54,-1.86,;.79,-1.09,;.79,.45,;2.13,1.22,;3.59,.74,;4.5,1.99,;3.59,3.23,;2.13,2.76,;3.99,4.72,;2.9,5.81,;5.48,5.12,;6.81,4.35,;7.58,5.68,;9.07,6.08,;6.25,6.45,;2.13,-1.86,;2.13,-3.4,;.79,-4.17,;-.54,-3.4,;-4.45,-2.63,;-5.22,-1.3,;-6.76,-1.3,;-7.53,-2.63,;-9.07,-2.63,;-6.76,-3.97,;-5.22,-3.97,)|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3CO)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3CF)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3F)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3cocn3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(OC3CN(CC3F)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(OC3CC4CCC3N4C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |THB:15:14:8.9:11.12|
CCn1c(nc2c(OC3(C)CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(OC(F)(F)F)cc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(OC)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccnc(OC)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(nc1)C(F)(F)F |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(cc1)C(F)(F)F |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(OC(F)F)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc2cn[nH]c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc(nc1)C(F)(F)F |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnc2[nH]ccc2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc2cc[nH]c2c1 |r|
CCC(=O)N1CCC(C1)Oc1ncnc2n(C)c(nc12)-c1ccc2[nH]ncc2c1
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnc(OC)c(c1)C(F)(F)F |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc2[nH]ccc2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc(C)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cc(O)cc(F)c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnc2[nH]nc(C)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn(c1)-c1ccccc1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn(c1C)-c1ccccc1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2[nH]c(nc12)-c1cnn(CC)c1C |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cc(F)cc(NS(C)(=O)=O)c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cncc(N)c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn(c1)C(C)(C)C |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc(Cl)nc1 |r|
CCCn1c(nc2c(O[C@H]3CCN(C3)C(=O)CC)ncnc12)-c1cnn(CC)c1C |r|
CCCn1c(nc2c(O[C@H]3CCN(C3)C(=O)CC)ncnc12)-c1cnc(C)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnc(C)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC(F)F)c(nc12)-c1cnn(CC)c1C |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn2CCCc12 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnn(c1C)-c1ccccc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(OC)c(F)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc2[nH]ccc2c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(c1)C(F)(F)F |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(Cl)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1C |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)c(F)c1 |r|
CCC(=O)C1CC[C@@H](C1)Oc1ncnc2n(C)c(I)nc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc(OC)c(F)c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc(OC)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnc(OC)c(F)c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc(OC)c(c1)C(F)(F)F |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc(OC)c(C)c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnc(OC)c(c1)C#N |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnc(OC)c(NS(C)(=O)=O)c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc(cc1)S(C)(=O)=O |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn2CCCCc12 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(NS(C)(=O)=O)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(c1)C#N |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(nc1)C(F)(F)F |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(N)c(c1)C(F)(F)F |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(nc1)N(C)C |r|
CCC1CN(CC1Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)C1CC1
CCC1CN(C[C@H]1Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)C1CC1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(OC)cn1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(C)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1ccc(OC)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1ccc(OC)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc12)-c1ccc(OC)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(F)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnc(OC)c(F)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1cnc(OC)c(F)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc12)-c1cnc(OC)c(F)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3ccn(C)n3)ncnc12)-c1cnc(OC)c(F)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3cncn3C)ncnc12)-c1cnc(OC)c(F)c1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnn2CCCCc12 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnn2CCCCc12 |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1CC |r|
CCn1c(nc2c(O[C@@H]3CN(CC3(C)C)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(OC3CN(CC33CC3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(OC3CN(CC3C)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(OC3CN(CC3C(F)F)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(OC3CN(CC3CF)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)S(=O)(=O)CC)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)S(=O)(=O)C(C)C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)S(=O)(=O)C(F)(F)F)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)S(=O)(=O)c3ccccc3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)S(=O)(=O)c3cn(C)cn3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)S(=O)(=O)c3ccc4ccccc4c3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)S(=O)(=O)c3ccc(cc3)-c3ccccc3)ncnc2n1C |r|
CCn1c(nc2c(O[C@H]3CCN(C3)S(=O)(=O)CC)ncnc12)-c1cnc(C)nc1 |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)NC3CCCCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)Nc3cccc(C)c3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)NC(C)C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)NC(C)(C)CC(C)(C)C)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)NC(C)c3ccccc3)ncnc2n1C |r|
CCOC(=O)C(C)NC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCNC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCNC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r|
CCN(C)C(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N(C)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CCC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(OC3CCN(CC3)C(=O)N(C)c3ccccc3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(F)(F)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CCC3C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N(C)c3ccccc3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CCC(CO)C3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CCC(C)(C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CCC(C)(O)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C)(C3)OC)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC4CC4C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CCCCC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3C4CCC3CC4)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(O)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CCC(F)(F)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(F)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F |r|
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(C)c3ccccc3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(CC4CCCCC4)C3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(Cc4ccc(cc4)N(C)C)C3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(Cc4ccc[nH]4)C3)ncnc2n1C
CCCN1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCn1c(nc2c(OC3CN(Cc4ccccc4)CC3(C)C)ncnc12)-c1cnc(C)nc1
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3ncccn3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3ncnc4sc(C)cc34)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3nccc4sccc34)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3ncnc4ccsc34)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3cc(ccn3)C(F)(F)F)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3nccn4cnnc34)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3ccccn3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3nncc4ccccc34)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3cc(ncn3)-n3cc(C)cn3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3nccc(n3)-c3ccco3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3cncc(C)n3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3ncnc4sc(C)c(C)c34)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3ncnc4sccc34)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3ncnc4n(C)ncc34)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3cc(ncn3)-n3cccn3)ncnc2n1C
CCn1c(nc2c(O[C@H]3CCN(C3)c3ccccc3C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)c3ccccn3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)c3cc(C)ccn3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)c3ccccc3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)c3ccc(F)cc3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)c3cccc(F)c3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)c3nccs3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)c3cncnc3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)c3cccnc3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)c3ccc4cnoc4c3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)c3cnccn3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCCN(C3)c3ccccn3)ncnc12)-c1cnc(C)nc1 |r|
CCn1ncc(c1C)-c1nc2c(OC3CCC(C3)C(=O)N3CCOCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCC(C3)NC(=O)OC(C)(C)C)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCC(C3)NC(=O)C3CCOCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(OC3CCC(C3)n3c4cccnc4[nH]c3=O)ncnc2n1C
CCn1c(nc2c(O[C@@H]3C[C@@H](C3)NC(=O)OC(C)(C)C)ncnc12)-c1cnc(C)nc1 |r,wU:8.7,10.12,(-1.48,-7.51,;-2.25,-6.17,;-1.48,-4.84,;-2.38,-3.59,;-1.48,-2.35,;-.01,-2.82,;1.32,-2.05,;1.32,-.51,;2.65,.26,;4.14,-.14,;4.54,1.35,;3.05,1.74,;5.87,2.12,;5.87,3.66,;4.54,4.43,;7.21,4.43,;7.21,5.97,;8.54,6.74,;5.87,6.74,;7.21,7.51,;2.65,-2.82,;2.65,-4.36,;1.32,-5.13,;-.01,-4.36,;-3.92,-3.59,;-4.69,-2.26,;-6.23,-2.26,;-7,-3.59,;-8.54,-3.59,;-6.23,-4.93,;-4.69,-4.93,)|
CCn1c(nc2c(O[C@H]3C[C@@H](C3)NC(=O)OC(C)(C)C)ncnc12)-c1cnc(C)nc1 |r,wU:10.12,wD:8.7,(-1.48,-7.51,;-2.25,-6.17,;-1.48,-4.84,;-2.38,-3.59,;-1.48,-2.35,;-.01,-2.82,;1.32,-2.05,;1.32,-.51,;2.65,.26,;4.14,-.14,;4.54,1.35,;3.05,1.74,;5.87,2.12,;5.87,3.66,;4.54,4.43,;7.21,4.43,;7.21,5.97,;8.54,6.74,;5.87,6.74,;7.21,7.51,;2.65,-2.82,;2.65,-4.36,;1.32,-5.13,;-.01,-4.36,;-3.92,-3.59,;-4.69,-2.26,;-6.23,-2.26,;-7,-3.59,;-8.54,-3.59,;-6.23,-4.93,;-4.69,-4.93,)|
CCC(=O)N[C@H]1CC[C@@H](CC1)Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r,wU:8.11,wD:5.4,(8.27,6.57,;8.27,5.03,;6.93,4.26,;5.6,5.03,;6.93,2.72,;5.6,1.95,;4.26,2.72,;2.93,1.95,;2.93,.41,;4.26,-.36,;5.6,.41,;1.6,-.36,;1.6,-1.9,;2.93,-2.67,;2.93,-4.21,;1.6,-4.98,;.26,-4.21,;-1.2,-4.68,;-1.6,-6.17,;-3.09,-6.57,;-2.11,-3.44,;-1.2,-2.19,;.26,-2.67,;-3.65,-3.44,;-4.42,-2.11,;-5.96,-2.11,;-6.73,-3.44,;-8.27,-3.44,;-5.96,-4.77,;-4.42,-4.77,)|
CCn1c(nc2c(O[C@@H]3CC[C@@H](CC3)NC(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r,wU:8.7,11.14,(-4.52,-5.31,;-3.04,-4.91,;-2.64,-3.43,;-3.54,-2.18,;-2.64,-.94,;-1.17,-1.41,;.16,-.64,;.16,.9,;1.49,1.67,;2.83,.9,;4.16,1.67,;4.16,3.21,;2.83,3.98,;1.49,3.21,;5.5,3.98,;6.83,3.21,;6.83,1.67,;8.16,3.98,;9.7,3.98,;8.93,5.31,;1.49,-1.41,;1.49,-2.95,;.16,-3.72,;-1.17,-2.95,;-5.08,-2.18,;-5.85,-.85,;-7.39,-.85,;-8.16,-2.18,;-9.7,-2.18,;-7.39,-3.51,;-5.85,-3.51,)|
CCn1c(nc2c(OC3CCC(C3)NC(=O)C3CCOCC3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(OC3C[C@@H](C3)NS(=O)(=O)CC)ncnc12)-c1cnc(C)nc1 |r,wU:10.12,(-1.48,-5.09,;-2.25,-3.76,;-1.48,-2.43,;-2.38,-1.18,;-1.48,.07,;-.01,-.41,;1.32,.36,;1.32,1.9,;2.65,2.67,;4.14,2.27,;4.54,3.76,;3.05,4.16,;5.87,4.53,;7.21,3.76,;7.98,5.09,;6.44,2.43,;8.54,2.99,;8.54,1.45,;2.65,-.41,;2.65,-1.95,;1.32,-2.72,;-.01,-1.95,;-3.92,-1.18,;-4.69,.15,;-6.23,.15,;-7,-1.18,;-8.54,-1.18,;-6.23,-2.51,;-4.69,-2.51,)|
CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(ncnc2n1C)S(=O)(=O)C1CCN(C1)C(=O)OC(C)(C)C
CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C
CCC(=O)N1CCC(C1)Sc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
CCn1ncc(c1C)-c1nc2c(ncnc2n1C)S(=O)(=O)C1CCN(C1)C(=O)C1CCOCC1
CCC(=O)N1CCC(C1)S(=O)(=O)c1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)C(=O)C3CC3)ncnc2n1C
CCOC(=O)N1CCC(C1)Sc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)C(=O)OCC(C)C)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)C(=O)c3ccn(C)n3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)C(=O)c3coc(C)n3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)c3ccncn3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)c3ncnc4sccc34)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(CC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(CC3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C
CCC(=O)N1CCC(Cc2ncnc3n(C)c(nc23)-c2cnn(CC)c2C)C1
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(Oc3cccc(C)c3C)nc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(Oc3cc(F)cc(OC)c3)nc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(Oc3cnc(C)nc3)nc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(Oc3ccc(OC)c(F)c3)nc12 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)N(C)CC(C)C |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)N(C)CCO |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)N1CCC(C1)S(C)(=O)=O |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)N1CCC(C)CC1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)N1CCC(CC1)c1ccccc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)N(C)CCOC |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)N(C)C(C)C |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)N1CCC(C)C1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)C1=CCOCC1 |r,t:24|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)C1CC1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(CC(C)C)nc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(CC(C)C)nc12 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)C(F)F |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)C(F)(F)F |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)C(F)(F)F |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)C(=O)NCC(F)(F)F |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)C(=O)NCC(F)(F)F |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)C(=O)NCC1CC1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)C(=O)NC1CCCCC1 |r|
CCNC(=O)c1nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1CC |r|
CS(=O)(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2c(F)ccc3[nH]ccc23)CC1 |(-22.22,-28.46,;-21.13,-27.37,;-22.62,-26.97,;-21.13,-25.83,;-19.64,-26.97,;-19.24,-25.48,;-17.76,-25.08,;-16.67,-26.17,;-15.18,-25.78,;-14.78,-24.29,;-15.69,-23.04,;-14.78,-21.8,;-13.32,-22.27,;-11.98,-21.5,;-10.65,-22.27,;-10.65,-23.81,;-11.98,-24.58,;-13.32,-23.81,;-9.32,-24.58,;-9.32,-26.12,;-7.98,-26.89,;-6.65,-26.12,;-6.65,-24.58,;-7.98,-23.81,;-11.98,-19.96,;-13.32,-19.19,;-14.65,-19.96,;-13.32,-17.65,;-11.98,-16.88,;-10.65,-17.65,;-9.18,-17.18,;-8.28,-18.42,;-9.18,-19.67,;-10.65,-19.19,;-17.07,-27.66,;-18.55,-28.06,)|
CC(C)(O)C1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ccc23)CC1
Cc1cc2c(cccc2[nH]1)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)O)csc12)N1CCOCC1
Cc1sc2c(nc(nc2c1CN1CCN(CC1)C(=O)CO)N1CCOCC1)-c1cccc2[nH]ccc12
C(N1CCC(CC1)N1CCOCC1)c1csc2c(nc(nc12)N1CCOCC1)-c1cccc2[nH]ccc12
C(N1CCN(CC1)C1CCOCC1)c1csc2c(nc(nc12)N1CCOCC1)-c1cccc2[nH]ccc12
C(N1CCN(CC1)C1COC1)c1csc2c(nc(nc12)N1CCOCC1)-c1cccc2[nH]ccc12
OCC(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ccc23)CC1
CC(C)(O)CN1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ccc23)CC1
CC(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ccc23)CC1
CC(C)(C)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cccc3[nH]ccc23)CC1
CC(C)C(=C)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2c(C)oc3ccccc23)CC1 |(-19.82,-22.81,;-18.28,-22.81,;-17.51,-21.47,;-17.51,-24.14,;-18.28,-25.47,;-15.97,-24.14,;-15.2,-22.81,;-13.66,-22.81,;-12.89,-24.14,;-11.35,-24.14,;-10.58,-22.81,;-11.48,-21.56,;-10.58,-20.32,;-9.11,-20.79,;-7.78,-20.02,;-6.44,-20.79,;-6.44,-22.33,;-7.78,-23.1,;-9.11,-22.33,;-5.11,-23.1,;-5.11,-24.64,;-3.78,-25.41,;-2.44,-24.64,;-2.44,-23.1,;-3.78,-22.33,;-7.78,-18.48,;-6.53,-17.58,;-5.2,-18.35,;-7.01,-16.11,;-8.55,-16.11,;-9.58,-14.97,;-11.09,-15.29,;-11.56,-16.75,;-10.53,-17.9,;-9.02,-17.58,;-13.66,-25.47,;-15.2,-25.47,)|
CC(C)(O)C1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2ccnc3[nH]ccc23)CC1
Cn1cc(cn1)-c1nc(nc2c(CN3CCN(CC3)C(=O)OC(C)(C)C)csc12)N1CCOCC1
CC(C)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnn(C)c2)CC1
Cc1cn(c(C)n1)-c1nc(nc2c(CN3CCN(CC3)C(=O)OC(C)(C)C)csc12)N1CCOCC1
Cc1nn(C)c(C)c1-c1nc(nc2c(CN3CCN(CC3)C(=O)OC(C)(C)C)csc12)N1CCOCC1 |(4.49,-20.49,;3.15,-19.72,;2.68,-18.25,;1.14,-18.25,;.37,-16.92,;.66,-19.72,;-.67,-20.49,;1.91,-20.62,;1.91,-22.16,;3.24,-22.93,;3.24,-24.47,;1.91,-25.24,;.58,-24.47,;-.89,-24.95,;-1.29,-26.43,;-2.78,-26.83,;-3.86,-25.74,;-5.35,-26.14,;-5.75,-27.63,;-4.66,-28.72,;-3.17,-28.32,;-7.24,-28.03,;-8.33,-26.94,;-7.64,-29.52,;-9.18,-29.52,;-9.95,-30.85,;-9.95,-28.18,;-10.72,-29.52,;-1.79,-23.7,;-.89,-22.46,;.58,-22.93,;4.58,-25.24,;4.58,-26.78,;5.91,-27.55,;7.24,-26.78,;7.24,-25.24,;5.91,-24.47,)|
CC(C)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-n2cc(C)nc2C)CC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3C[C@H](C)O[C@H](C)C3)csc12)N1CCOCC1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)OC(C)(C)C)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C3COC3)csc12)N1CCOCC1
CC(C)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-n2ccnc2C(F)(F)F)CC1
CC(C)C(=O)N(c1cncc(c1)-c1nc(nc2c(CN3CCN(CC3)C(=O)C(C)C)csc12)N1CCOCC1)S(C)(=O)=O
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(C)=O)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C3CCOCC3)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(C)(C)C)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(C)(C)O)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCOCC3)csc12)N1CCOCC1
Cc1cn(c(C)n1)-c1nc(nc2c(CN3CCN(CC3)C(=O)C3CC3)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2ccoc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C3CCN(C)CC3)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)C3CCCCC3)csc12)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)O)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C(=O)NCC(F)(F)F)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N(C)C)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)C(C)(C)C)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)C(C)C)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CC4CC3CN4C3COC3)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)N3CCCC3)csc12)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)C1CC1)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)O)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(C)CC3)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N(C)C(=O)OC(C)(C)C)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(Br)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)OC)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3C[C@H](C)O[C@H](C)C3)csc12)N1CCOCC1 |r|
CCC(C)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1
COc1ncc(cc1N(C(C)=O)S(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(C)(C)C(N)=O)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N(C)C(C)C)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)O)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)S(C)(=O)=O)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)C(F)(F)F)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)NCC(F)(F)F)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(C)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)C1CC1)-c1nc(nc2c(CN3CCN(CC3)C(C)(C)C)csc12)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1nc(nc2c(CN3CCN(C)CC3)csc12)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)C1CC1)-c1nc(nc2c(CN3CCN(C)CC3)csc12)N1CCOCC1
CCS(=O)(=O)Nc1cc(cnc1OC)-c1nc(nc2c(CN3CCN(C)CC3)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)CO)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)N(C)C)-c1nc(nc2c(CN3CCN(C)CC3)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)[C@@H](C)O)c(C)sc12)N1CCOCC1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)[C@H](C)O)c(C)sc12)N1CCOCC1 |r|
CN1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cncc(NS(C)(=O)=O)c2)CC1
CNC(=O)C1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C3CC(C)OC(C)C3)csc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)OC)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)C1CC1)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)O)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)C1CC1)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)F)c(C)sc12)N1CCOCC1
COC1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(=O)(=O)C3CC3)c2)CC1
COc1ncc(cc1NS(=O)(=O)C1CC1)-c1nc(nc2c(CN3CCN(CC3)C(=O)C(F)(F)F)c(C)sc12)N1CCOCC1
COC1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1
COc1ncc(cc1NS(=O)(=O)C1CC1)-c1nc(nc2c(CN3CCN(CC(F)(F)F)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)F)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCCCC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC(F)(F)F)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C(C)C)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(C)(C)C)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)C(F)(F)F)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(C)C)c(C)sc12)N1CCOCC1
CNC1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N(C)C)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN(C)C)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N(C)C(C)C)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCNCC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2cc(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCOCC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(C)(C)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC3)C(=O)CC#N)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(C)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCCC3)c(C)sc12)N1CCOCC1
CCOC1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC4(CC3)OCCO4)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(F)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC4(CNC4)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(=O)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(O)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)C1CC1)-c1nc(nc2c(CN3CCN(CC3)C(C)(C)C)c(C)sc12)N1CCOCC1
CCN(CC)C1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1
COC(=O)C1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCCC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCS(=O)(=O)CC3)c(C)sc12)N1CCOCC1
COC(=O)N1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC4(COC4)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCn4cnnc4C3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CO)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)C(F)(F)F)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)O)c(C)sc12)N1CCOCC1
COC(=O)C(C)(C)N1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1
Cc1sc2c(nc(nc2c1CN1CCC(CC1)C(C)(C)O)N1CCOCC1)-c1cnc(Cl)c(NS(C)(=O)=O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CC(C3)N(C)C(=O)OC(C)(C)C)c(C)sc12)N1CCOCC1
CCN(CC)C1CN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)C1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(N4CCCC4)C(F)(F)C3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCC[C@H]3C(F)(F)F)c(C)sc12)N1CCOCC1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCC[C@H]3C)c(C)sc12)N1CCOCC1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCC[C@H]3CO)c(C)sc12)N1CCOCC1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCC[C@@H]3C)c(C)sc12)N1CCOCC1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCC(F)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CC[C@@H](C3)N3CCCC3)c(C)sc12)N1CCOCC1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(C3)N3CCCC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C3CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CC=CC3)c(C)sc12)N1CCOCC1 |c:30|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(C3)N3CCC[C@H]3C)c(C)sc12)N1CCOCC1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(C3)N3CCC[C@@H]3C)c(C)sc12)N1CCOCC1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CCN3CCCCC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(=C)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC4(CC4)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCc4ccccc4C3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)S(C)(=O)=O)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(C)C(=O)C3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CC4CC4C3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCN(CC(C)(C)O)CC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCc4sccc4C3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCn4ccnc4C3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)OC(C)C)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CC(F)(F)C3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCCCC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)C1=NC(=NC2C1SC(C)=C2CN1CCC(CC1)N1CCCCC1=O)N1CCOCC1 |c:16,23,t:14|
COc1ncc(cc1NS(C)(=O)=O)C1=NC(=NC2C1SC(C)=C2CN1CC(C1)C(C)(C)O)N1CCOCC1 |c:16,23,t:14|
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(OC3CCOCC3)c(C)sc12)N1CCOCC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(OC3CCC(CC3)N3CCCCC3)c(C)sc12)N1CCOCC1 |(-2.61,-11.17,;-1.28,-11.94,;-1.28,-13.48,;-2.61,-14.25,;-2.61,-15.79,;-1.28,-16.56,;.05,-15.79,;.12,-14.18,;1.44,-13.4,;2.78,-14.15,;4.13,-14.91,;2.03,-15.49,;3.54,-12.81,;-1.28,-18.1,;.05,-18.87,;.05,-20.41,;-1.28,-21.18,;-2.61,-20.41,;-4.08,-20.89,;-4.48,-22.38,;-5.96,-22.78,;-7.05,-21.69,;-8.54,-22.09,;-8.94,-23.57,;-7.85,-24.66,;-6.36,-24.26,;-10.43,-23.97,;-11.52,-22.88,;-13,-23.28,;-13.4,-24.77,;-12.31,-25.86,;-10.83,-25.46,;-4.98,-19.64,;-6.52,-19.64,;-4.08,-18.4,;-2.61,-18.87,;1.39,-21.18,;1.39,-22.72,;2.72,-23.49,;4.05,-22.72,;4.05,-21.18,;2.72,-20.41,)|
C[C@H](NC(=O)c1nc(cnc1N)C1CC1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CCn1cc(cn1)-c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCNS(C)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnn[nH]1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1Cc1nnn[nH]1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nc(C)no1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCS(N)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1ncn[nH]1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1c[nH]cn1 |r|
C[C@H](NC(=O)c1c(N)ncn2ccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1 |r|
C[C@H](NC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC#N)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC(F)(F)F)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1nccnc1N)c1cc2cccc(c2c(=O)n1-c1ccccc1)C(F)(F)F |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCNS(C)(=O)=O |r|
CNS(=O)(=O)CCn1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnnn1C |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1nnn(C)n1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCS(C)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCNS(=O)(=O)C(F)(F)F |r|
CCS(=O)(=O)NCCn1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCC#C |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1cnn[nH]1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCc1noc(n1)C(C)(C)C |r|
CC(C)C(=O)Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(CCc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(OCc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1O |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(O)c1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1C1CCC1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1C1CC(C1)NS(C)(=O)=O |r,wD:1.0,(-1.45,.19,;.06,.51,;.54,1.98,;-.49,3.12,;-2,2.8,;-.02,4.59,;-.92,5.83,;-2.46,5.83,;-.02,7.08,;1.45,6.6,;2.78,7.37,;4.11,6.6,;4.11,5.06,;2.78,4.29,;1.45,5.06,;1.09,-.63,;2.6,-.31,;3.63,-1.46,;5.13,-1.14,;6.16,-2.28,;5.69,-3.75,;4.18,-4.07,;3.71,-5.53,;3.15,-2.92,;1.64,-3.24,;1.17,-4.71,;.61,-2.1,;-.89,-2.42,;-1.73,-3.71,;-3.02,-2.87,;-2.18,-1.58,;-4.53,-3.19,;-5,-4.66,;-5.48,-6.12,;-6.47,-4.18,;-3.54,-5.13,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1C |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(C)c1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(C)cc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(c1)S(C)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1NS(C)(=O)=O |r,wD:1.0,(-1.84,.63,;-.33,.95,;.14,2.41,;-.89,3.56,;-2.39,3.24,;-.41,5.02,;-1.32,6.27,;-2.86,6.27,;-.41,7.52,;1.05,7.04,;2.39,7.81,;3.72,7.04,;3.72,5.5,;2.39,4.73,;1.05,5.5,;.7,-.19,;2.2,.13,;3.23,-1.02,;4.74,-.7,;5.77,-1.84,;5.29,-3.31,;3.79,-3.63,;3.31,-5.09,;2.76,-2.48,;1.25,-2.8,;.78,-4.27,;.22,-1.66,;-1.29,-1.98,;-2.32,-.83,;-3.82,-1.16,;-4.3,-2.62,;-3.27,-3.76,;-1.76,-3.44,;-.73,-4.59,;-1.21,-6.05,;-1.68,-7.52,;-2.67,-5.58,;.26,-6.53,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(NS(C)(=O)=O)c1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(cc1)S(C)(=O)=O |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(NS(C)(=O)=O)cc1 |r|
C[C@H](NC(=O)c1c(N)nn2c(C)ccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1F |r,wD:1.0,(-2,.62,;-.49,.94,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;.06,-1.67,;-1.45,-1.99,;-2.48,-.85,;-3.98,-1.17,;-4.46,-2.63,;-3.43,-3.77,;-1.92,-3.45,;-.89,-4.6,)|
COc1ccccc1-n1c(cc2cccc(Cl)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r,wD:20.23,(-1.61,-5.96,;-.89,-4.6,;-1.92,-3.45,;-3.43,-3.77,;-4.46,-2.63,;-3.98,-1.17,;-2.48,-.85,;-1.45,-1.99,;.06,-1.67,;.54,-.21,;2.04,.11,;3.07,-1.03,;4.58,-.71,;5.61,-1.85,;5.13,-3.32,;3.63,-3.64,;3.15,-5.1,;2.6,-2.49,;1.09,-2.81,;.61,-4.28,;-.49,.94,;-2,.62,;-.02,2.4,;-1.05,3.55,;-2.56,3.23,;-.57,5.01,;-1.48,6.26,;-3.02,6.26,;-.57,7.5,;.89,7.03,;2.23,7.8,;3.56,7.03,;3.56,5.49,;2.23,4.72,;.89,5.49,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(OCC(F)(F)F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2c(Cl)cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(CC(C)=O)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(N3CCOCC3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)c(F)c1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2c(C)cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(CC(=O)C(C)(C)C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2ccccc2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1oc2ccc(F)cc2c(=O)c1-c1ccccc1 |r|
C[C@H](NC(=O)c1nccnc1N)c1oc2ccc(F)cc2c(=O)c1-c1ccccc1 |r|
COc1ncc(cc1C)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)[C@H]3CCS(=O)(=O)C3)cc12 |r|
COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCS(C)(=O)=O)cc12 |r|
CN(C)c1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@@H]3CCN(C3)C(=O)C3CCOCC3)cc12 |r|
COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)cc12 |r|
COc1ncc(cc1C(F)(F)F)N1CCOc2cnc(OC3CCN(C3)C(=O)OC(C)(C)C)cc12
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(C#N)c3c(=O)n2-c2ccccc2)n1
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(C#N)c3c(=O)n2-c2ccccc2)n1
Nc1nc(N)c(C#N)c(N[C@@H](c2ccccc2)c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)n1
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(C#N)c3c(=O)n2-c2cc(F)cc(c2)C(F)F)n1
CS(=O)(=O)c1cccc2nc([C@@H](Nc3nc(N)nc(N)c3C#N)C3CC3)n(-c3cccc(F)c3)c(=O)c12
CS(=O)(=O)c1cccc2nc([C@@H](Nc3nc(N)nc(N)c3C#N)C3CC3)n(-c3c(F)cccc3F)c(=O)c12 |wD:11.11,(-4.28,6.06,;-4.28,4.52,;-2.74,4.52,;-5.82,4.52,;-4.28,2.98,;-5.61,2.21,;-5.61,.67,;-4.28,-.1,;-2.95,.67,;-1.61,-.1,;-.28,.67,;1.46,-.34,;1.46,-1.88,;.12,-2.65,;-1.21,-1.88,;-2.55,-2.65,;-3.88,-1.88,;-2.55,-4.19,;-1.21,-4.96,;-1.21,-6.5,;.12,-4.19,;1.46,-4.96,;2.79,-5.73,;2.79,.43,;3.56,1.77,;4.33,.43,;-.28,2.21,;3.15,4.19,;4.49,3.42,;4.49,1.88,;5.82,4.19,;5.82,5.73,;4.49,6.5,;3.15,5.73,;1.82,6.5,;-1.61,2.98,;-1.61,4.52,;-2.95,2.21,)|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3ccc(F)c(C#N)c3c(=O)n2-c2cccc(F)c2)n1
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3ccc(F)c(C#N)c3c(=O)n2-c2ccccc2)n1
CN(C)C(=O)C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
CN(C)C(=O)C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Cc1cccc2nc([C@@H](Nc3nc(N)nc(N)c3C#N)C3CC3)n(-c3cc(F)cc(c3)C#N)c(=O)c12
Cc1cccc2nc([C@@H](Nc3nc(N)nc(N)c3C#N)C3CC3)n(-c3cc(F)cc(F)c3)c(=O)c12
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc(F)cc(F)c2)n1
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(F)c3c(=O)n2-c2cc(F)cc(F)c2)n1
Nc1nc(N)c(C#N)c(NC(C2CC2)c2nc3cccc(F)c3c(=O)n2-c2cccc(F)c2)n1
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3ccc(F)cc3c(=O)n2-c2cccc(F)c2)n1
CS(=O)(=O)c1cccc2nc([C@@H](Nc3nc(N)nc(N)c3C#N)C3CC3)n(-c3ccccc3F)c(=O)c12 |wD:11.11,(-3.53,6.28,;-3.53,4.74,;-1.99,4.74,;-5.07,4.74,;-3.53,3.2,;-4.87,2.43,;-4.87,.89,;-3.53,.12,;-2.2,.89,;-.87,.12,;.47,.89,;2.2,-.12,;2.2,-1.66,;.87,-2.43,;-.47,-1.66,;-1.8,-2.43,;-3.13,-1.66,;-1.8,-3.97,;-.47,-4.74,;-.47,-6.28,;.87,-3.97,;2.2,-4.74,;3.53,-5.51,;3.53,.65,;4.3,1.99,;5.07,.65,;.47,2.43,;1.8,3.2,;3.13,2.43,;4.47,3.2,;4.47,4.74,;3.13,5.51,;1.8,4.74,;.47,5.51,;-.87,3.2,;-.87,4.74,;-2.2,2.43,)|
C[C@H](Nc1nc(N)nc(N)c1C(C)=O)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
COC1C[C@H](N(C1)c1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
C[C@H](Nc1nc(C)nc(N)c1Br)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(C)nc(N)c1Br)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCCN3CCOCC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCCN3CCCCCC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCCN3CCCC3)c2c(=O)n1-c1ccccc1
CC(C)OC(=O)COc1cccc2nc([C@H](C)Nc3nc(N)nc(N)c3C#N)n(-c3ccccc3)c(=O)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCCN3CCCC3=O)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCCN(C)C)c2c(=O)[nH]1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCC(=O)N3CCCCC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCC(C)(CO)CO)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCCN3CCCCC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCCN3CCN(CC3)c3ccccc3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCCn3ccnc3C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCCC3CCCN3C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCC3(C)COC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(OCC(=O)N3CCC(C)CC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCC(N)=O)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCC(N)=O)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCC(N)=O)c2c(=O)n1-c1cc(F)cc(F)c1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCC(N)=O)c2c(=O)n1-c1cc(F)cc(F)c1
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)ccc(CCC(N)=O)c2c(=O)n1-c1cc(F)cc(F)c1
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(CCC(N)=O)c2c(=O)n1-c1cc(F)cc(F)c1
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(CCC(N)=O)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)ccc(CCC(N)=O)c2c(=O)n1-c1ccccc1
C[C@@H](Cc1cccc2nc(C(C)Nc3nc(N)nc(N)c3C#N)n(-c3ccccc3)c(=O)c12)N1CCCC1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCCCC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCC(F)(F)C3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCC(F)(F)CC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3C(C)COCC3C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCCN3CCCC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCCC3)c2c(=O)n1-c1cc(F)cc(F)c1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOC(C)(C)C3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOCC3(C)C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CC(F)(F)OC(F)(F)C3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCCN3CCC(F)(F)C3)c2c(=O)n1-c1ccccc1
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(CCCN4CCCC4)c3c(=O)n2-c2ccccc2)n1
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(CCCN4CCCCC4)c3c(=O)n2-c2ccccc2)n1
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(CCCN4CCCC4)c3c(=O)n2-c2ccccc2)n1
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(CCCN4CCCCC4)c3c(=O)n2-c2ccccc2)n1
Nc1nc(Cl)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(CCCN4CCCC4)c3c(=O)n2-c2ccccc2)n1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOCC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CC4(COC4)C3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCC4(COC4)C3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCC4(COC4)CC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCC3CCCCC3)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1ccccc1
Nc1nc(N)c(C#N)c(n1)N1CC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
Nc1nc(N)c(C#N)c(n1)N1CC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCC(O)=O)c2c(=O)n1-c1ccccc1
Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(CCCC(O)=O)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCC(O)=O)c2c(=O)n1-c1cc(F)cc(F)c1
CS(=O)(=O)c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(N)c3C#N)n(-c3cccc(F)c3)c(=O)c12
CS(=O)(=O)c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(N)c3C#N)n(-c3ccccc3F)c(=O)c12 |wD:11.10,(-3.23,6.38,;-3.23,4.84,;-1.69,4.84,;-4.77,4.84,;-3.23,3.3,;-4.56,2.53,;-4.56,.99,;-3.23,.22,;-1.9,.99,;-.56,.22,;.77,.99,;2.1,.22,;3.51,.85,;4.54,-.3,;3.77,-1.63,;2.26,-1.31,;1.12,-2.34,;-.34,-1.86,;-1.49,-2.89,;-2.95,-2.42,;-1.17,-4.4,;.3,-4.88,;.62,-6.38,;1.44,-3.85,;2.91,-4.32,;4.37,-4.8,;.77,2.53,;2.1,3.3,;3.44,2.53,;4.77,3.3,;4.77,4.84,;3.44,5.61,;2.1,4.84,;.77,5.61,;-.56,3.3,;-.56,4.84,;-1.9,2.53,)|
CS(=O)(=O)c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(N)c3C#N)n(-c3c(F)cccc3F)c(=O)c12 |wD:11.10,(-3.59,6.38,;-3.59,4.84,;-2.05,4.84,;-5.13,4.84,;-3.59,3.3,;-4.92,2.53,;-4.92,.99,;-3.59,.22,;-2.26,.99,;-.92,.22,;.41,.99,;1.74,.22,;3.15,.85,;4.18,-.3,;3.41,-1.63,;1.9,-1.31,;.76,-2.34,;-.7,-1.86,;-1.85,-2.89,;-3.31,-2.42,;-1.53,-4.4,;-.06,-4.88,;.26,-6.38,;1.08,-3.85,;2.55,-4.32,;4.01,-4.8,;.41,2.53,;2.46,3.72,;3.8,2.95,;3.8,1.41,;5.13,3.72,;5.13,5.26,;3.8,6.03,;2.46,5.26,;1.13,6.03,;-.92,3.3,;-.92,4.84,;-2.26,2.53,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(c2c(=O)n1-c1cccc(F)c1)S(=O)(=O)c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(c2c(=O)n1-c1cccc(F)c1)S(=O)(=O)CCO
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(SCCO)c2c(=O)n1-c1cccc(F)c1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(c2c(=O)n1-c1cccc(F)c1)S(=O)(=O)C1CCCC1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(c2c(=O)n1-c1cccc(F)c1)S(=O)(=O)c1ccccc1C
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(c2c(=O)n1-c1cccc(F)c1)S(=O)(=O)CCN1CCCC1
Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
Cc1ccc(Cl)c2c1nc([C@@H]1CCCN1c1nc(N)nc(N)c1C#N)n(-c1cc(F)cc(F)c1)c2=O
Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2c(Cl)cccc2c(=O)n1-c1cc(F)cc(F)c1
Cc1cccc2c1nc([C@@H]1CCCN1c1nc(N)nc(N)c1C#N)n(-c1cc(F)cc(F)c1)c2=O
Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1
Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(c1)C#N
Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(C#N)c2c(=O)n1-c1ccccc1
Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2c(cccc2c(=O)n1-c1cccc(c1)C(F)F)C#N
Nc1nc(N)c(C#N)c(n1)N1CCC[C@H]1c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)S(N)(=O)=O
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C3=CCNCC3)c2c(=O)n1-c1ccccc1 |t:21|
C[C@@H]1C[C@H](N(C1)c1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Nc1nc(N)c(C#N)c(n1)N1C[C@H](F)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(C)c1I)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(C)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
CC(Nc1nc(C)nc(N)c1C#N)C1=Nc2cccc(Cl)c2C(=O)[N@@+]1(c1ccccc1)c1cc(F)cc(F)c1 |t:14|
Nc1nc(N)c(Cl)c(n1)N1CCOC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC(Nc1nc(N)nc(Cl)c1C#N)C1=Nc2cccc(Cl)c2C(=O)[N@@+]1(c1ccccc1)c1cc(F)cc(F)c1 |t:14|
C[C@H](Nc1nc(Cl)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(Cl)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
C[C@H](Nc1nc(F)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)NC(=O)C(F)F
Nc1nc(N)c(C#N)c(n1)N1C[C@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)NC(=O)C(F)(F)F
Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1)NC(=O)C(F)F
Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(c1)-c1cccc(F)c1F)NC(=O)C(F)F
Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1)NC(=O)C(F)F
Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(c1)C(F)F)NC(=O)C(F)F
Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)NC(=O)CC1CC1
NCC(=O)N[C@@H]1C[C@H](N(C1)c1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
NCC(=O)N[C@@H]1C[C@H](N(C1)c1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1
CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
CC(C)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC(C)(C)C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccc3)c2c(=O)n1-c1ccccc1 |r|
COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cncn3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC(C)(C)N)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CC3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CCN3CCOCC3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC(C)(C)O)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
COCC#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CCO)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CCN3CCCC3=O)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@@H](O)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
C[C@H](O)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cccnc3)c2c(=O)n1-c1ccccc1 |r|
COc1ncc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cn(C)nc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccc(=O)n(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
COC(C)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,w:2.1,$;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cncn3C)c2c(=O)n1C1CC1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CC3)c2c(=O)n1C1CC1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1C1CC1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccncc3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CCOCC3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
COc1cc(ccn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1nccnc1N)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccn(C)n3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cc[nH]c(=O)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccccn3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccc(=O)[nH]c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CCOC(OCC)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC=O)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3c(C)nn(C)c3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnc(C)n3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1cnn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3csc(C)n3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cncs3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1cncc2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnc[nH]3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)[nH]1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#C)c2c(=O)n1-c1ccc(F)c(F)c1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1nccnc1N)c1nc2cccc(C#C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#C)c2c(=O)n1C |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1nccnc1N)c1nc2cccc(C#C)c2c(=O)n1-c1ccc(F)cc1 |r,$;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#C)c2c(=O)n1-c1ccc(F)cc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CC#Cc1cccc2cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(nc12)-c1ccccc1 |w:10.11,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(\C=C\c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(\C=C/c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cscn3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1C |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CCN3CCN(C)CC3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CCN(C)C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC(F)(F)F)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3nccs3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3nc(C)cs3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnccc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3csc(C)n3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CCCC3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CCCCC3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cocn3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cccnc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1ncc(C)nc1N)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3C(F)(F)F)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C\C=C\c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
COc1cnc(C(=O)N[C@@H](C)c2cc3cccc(C#Cc4cnn(C)c4)c3c(=O)n2-c2ccccc2)c(N)n1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CCNCC3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccnn3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CNC3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3scnc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnc(C)s3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccc(C)nc3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ncsc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3sc(C)nc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cn[nH]c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cn(C)cn3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CCN(CC3)C(C)=O)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CCN(CC3)S(C)(=O)=O)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CCOC3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CCN(C)CC3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3nnc(C)s3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(\C=C\c3ccccc3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3cnn(C)c3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2ccc3ccccc3c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(NC(=O)c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(CC(=O)c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(CC(=O)c3cn[nH]c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1cccc(F)c1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1C |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1cccc(C)c1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccc(F)cc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccc(F)c(F)c1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccc(C)cc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1C1CCCCC1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CNS(=O)(=O)CCn1c(cc2cccc(C#Cc3cnn(C)c3)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1C |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-3.79,1.15,;-2.29,1.47,;-1.81,2.94,;-.3,3.26,;.73,2.11,;.17,4.72,;-.73,5.97,;-2.27,5.97,;.17,7.21,;1.64,6.74,;2.97,7.51,;4.3,6.74,;4.3,5.2,;2.97,4.43,;1.64,5.2,;-1.26,.33,;.25,.65,;1.28,-.5,;2.79,-.17,;3.82,-1.32,;3.34,-2.78,;1.84,-3.1,;1.36,-4.57,;.88,-6.03,;.41,-7.5,;-1.06,-7.97,;-1.06,-9.51,;.41,-9.99,;.88,-11.45,;1.31,-8.74,;.81,-1.96,;-.7,-2.28,;-1.18,-3.74,;-1.73,-1.14,;-3.24,-1.46,;-4.27,-.31,;-5.77,-.63,;-6.25,-2.1,;-5.22,-3.24,;-3.71,-2.92,;-2.68,-4.06,)|
C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CC(C)n1c(cc2cccc(C#Cc3cnn(C)c3)c2c1=O)[C@H](C)NC(=O)c1c(N)nn2cccnc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r|
CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2ccc(C)nc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Cn1cc(cn1)C#Cc1cccc2cc(CNC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |$;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2c(C)cc(C)nc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(N)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;$|
C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r|
CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1 |r|
COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r|
CC[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r|
C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r|
CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccc(OC)c1 |r|
CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r|
CCC1C(OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccnc1
CC1C(OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccnc1
Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r|
COCCOc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r|
Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCO)cc2)c(n1)C(F)(F)F |r|
Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCCO)cc2)c(n1)C(F)(F)F |r|
Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCCCC2=O)c(n1)C(F)(F)F
Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCN(C2=O)c2ccccc2)c(n1)C(F)(F)F
Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F
Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F
Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCOC(C2)c2ccccc2)c(n1)C(F)(F)F
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCCC3)nc(I)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCCC3)nc(-c3cc(O)cc(F)c3)c12
Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(I)c2c(N)ncnc12
Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc12
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc34)c(nc12)N1CCCC1
Cc1ccccc1-c1nc2c(C)cccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)c(nc12)N1CCCC1
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)c(nc12)N1CCCC1
CN1CCN(CC1)c1nc2c(C)cccc2cc1Cn1nc(I)c2c(N)ncnc12
CN1CCN(CC1)c1nc2c(C)cccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CN1CCN(CC1)c1nc2c(C)cccc2cc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc12
COc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc12
COc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
C[C@@H](O)C#Cc1nn(Cc2cc3ccccc3nc2-c2ccccc2C(C)C)c2ncnc(N)c12 |r|
CC(C)c1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
COc1ccccc1-c1nc2ccccc2cc1Cn1nc(C#C[C@@H](C)O)c2c(N)ncnc12 |r|
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3F)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCCCC3)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCCC3)nc(-c3ccccc3O)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCCC3)nc(-c3cc(F)ccc3O)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCCC3)nc(-c3cnc4[nH]ccc4c3)c12
CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2N2CCCC2)c2ncnc(N)c12
CC(C)Nc1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
NCc1ccc(F)cc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CC(=O)Nc1cccc(c1)-c1nn(Cc2cc3ccccc3nc2N2CCCC2)c2ncnc(N)c12
NC(=O)c1cccc(c1)-c1nn(Cc2cc3ccccc3nc2N2CCCC2)c2ncnc(N)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3NC3CC3)nc(-c3cc(O)cc(F)c3)c12
CC(c1cc2ccccc2nc1N1CCCC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
C[C@@H](O)C#Cc1nn(C(C)c2cc3ccccc3nc2N2CCCC2)c2ncnc(N)c12 |r|
CC(c1cc2ccccc2nc1N1CCCC1)n1nc(-c2cccc(O)c2)c2c(N)ncnc12
Nc1ncnc2n(Cc3cc4ccccc4nc3NC3CCCC3)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCN(CCO)CC3)nc(-c3cc(O)cc(F)c3)c12
CC(c1cc2ccccc2nc1N1CCCC1)n1cnc2c(N)ncnc12
CCC(c1cc2ccccc2nc1N1CCCC1)n1cnc2c(N)ncnc12
CCC(c1cc2ccccc2nc1-c1ccccc1)n1cnc2c(N)ncnc12
CCN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CCC(c1cc2ccccc2nc1N1CCCC1)n1nc(-c2cccc(O)c2)c2c(N)ncnc12
CCC(c1cc2ccccc2nc1N1CCCC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
C[C@@H](O)C#Cc1nn(Cc2cc3ccccc3nc2N2CCCC2)c2ncnc(N)c12 |r|
Nc1ncnc2n(Cc3cc4ccccc4nc3NC3CCC3)nc(-c3cc(O)cc(F)c3)c12
CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc12
CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(I)c2c(N)ncnc12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3C(F)(F)F)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3C(F)(F)F)nc(-c3cccc(O)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCCC3)nc(-c3cccc(O)c3)c12
C[C@@H](O)C#Cc1nn(Cc2cc3ccccc3nc2-c2ccccc2C(F)(F)F)c2ncnc(N)c12 |r|
CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
C[C@@H](O)C#Cc1nn(Cc2cc3ccccc3nc2N2CCN(C)CC2)c2ncnc(N)c12 |r|
CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CCC(Nc1ncnc2[nH]cnc12)c1cc2ccccc2nc1N1CCCC1
Nc1ncnc2n(Cc3cc4ccccc4nc3Cl)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3cccnc3)nc(-c3cc(O)cc(F)c3)c12
Cc1ccncc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCCC3)nc(-c3cccc4[nH]ncc34)c12
CC(c1cc2ccccc2nc1-c1ccccc1)n1nc(-c2cccc(O)c2)c2c(N)ncnc12
CC(c1cc2ccccc2nc1-c1ccccc1)n1cnc2c(N)ncnc12
Nc1ncnc2n(Cc3cnc4ccccc4c3)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCCC3)nc(-c3cccnc3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCOCC3)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCOCC3)nc(-c3cccc(O)c3)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)c(nc12)N1CCOCC1
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)c(nc12)N1CCOCC1
CN1CCN(CC1)c1nc2ccccc2cc1Cn1cnc2c(N)ncnc12
CCN(CC)c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CC(C)N1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
C[C@@H](O)C#Cc1nn(C(C)c2cc3ccccc3nc2-c2ccccc2)c2ncnc(N)c12 |r|
CC(c1cc2ccccc2nc1N1CCN(C)CC1)n1nc(-c2cccc(O)c2)c2c(N)ncnc12
CC(c1cc2ccccc2nc1N1CCN(C)CC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12
Nc1ncnc2n(Cc3cc4ccccc4nc3NCCN3CCOCC3)nc(-c3cc(O)cc(F)c3)c12
CNc1ncnc2n(Cc3cc4ccccc4nc3N(C)CCN3CCOCC3)nc(-c3cc(O)cc(F)c3)c12
Nc1ccnc2n(Cc3cc4ccccc4nc3-c3cccnc3)nc(-c3cccc(O)c3)c12
Cc1ccncc1-c1nc2ccccc2cc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc12
Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2N2CCCC2)c2ncnc(N)c12
CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3cc(N)sc3c2)c2c(N)ccnc12
Nc1ncnc2n(CC3=Cc4ccccc4NC3N3CCCC3)nc(-c3ccc4cn[nH]c4c3)c12 |t:8|
CC(Nc1ncnc2[nH]cnc12)c1cc2ccccc2nc1N1CCN(C)CC1
CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2ncnc(N)c12
CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2C)c2ncnc(N)c12
Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2ncnc(N)c12
Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3cc(N)sc3c2)c2c(N)ncnc12
CN1CCN(CC1)c1nc2ccccc2cc1CNc1ncnc2[nH]cnc12
CC(Nc1ncnc2[nH]cnc12)c1cc2ccccc2nc1N1CCCC1
CC(c1cc2ccccc2nc1N1CCN(C)CC1)n1cnc2c(N)ncnc12
CCC(c1cc2ccccc2nc1N1CCN(C)CC1)n1cnc2c(N)ncnc12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3F)nc(-c3cccc(O)c3)c12
CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2)c2ncnc(N)c12
CC(Nc1ncnc2[nH]cnc12)c1cc2ccccc2nc1-c1ccccc1
Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2)c2ncnc(N)c12
CCC(Nc1ncnc2[nH]cnc12)c1cc2ccccc2nc1N1CCN(C)CC1
CCc1nc2ccccc2cc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc12
CCc1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CCc1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
CCc1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
Nc1ncnc2n(Cc3cc4CCCc4nc3-c3ccccc3F)nc(I)c12
Nc1ncnc2n(Cc3cc4CCCc4nc3-c3ccccc3F)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(Cc3cc4CCCc4nc3-c3ccccc3F)nc(-c3cccc(O)c3)c12
C[C@@H](O)C#Cc1nn(Cc2nc3ccccc3nc2C#C[C@@H](C)O)c2ncnc(N)c12 |r|
Nc1ncnc2n(Cc3nc4ccccc4nc3N3CCCC3)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(Cc3nc4ccccc4nc3N3CCCC3)nc(-c3cccc(O)c3)c12
C[C@@H](O)C#Cc1nn(Cc2nc3ccccc3nc2N2CCCC2)c2ncnc(N)c12 |r|
Cc1ccccc1-c1nc2ccccc2nc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
Cc1ccccc1-c1nc2ccccc2nc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc12
Nc1ncnc2n(Cc3cc4ccccc4[nH]c3=O)nc(-c3cccc(O)c3)c12
CC(C)n1c2ccccc2cc(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)c1=O
Cn1c2ccccc2cc(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)c1=O
Cn1c2ccccc2cc(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)c1=O
CCn1c2ccccc2cc(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)c1=O
Nc1ncnc2n(Cc3cc4ccccc4[nH]c3=O)nc(-c3cc(O)cc(F)c3)c12
CCn1c2ccccc2cc(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)c1=O
CCn1c2ccccc2nc(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)c1=O
CCn1c2ccccc2nc(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)c1=O
CCn1c2ccccc2nc(Cn2nc(-c3ccc4nc(NC(C)=O)sc4c3)c3c(N)ncnc23)c1=O
CCn1c2ccccc2nc(Cn2nc(-c3ccc4nc(N)sc4c3)c3c(N)ncnc23)c1=O
Cc1ccccc1-c1ncccc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc12
Cc1ccccc1-c1ncccc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CN(C)c1ncccc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc12
Nc1ncnc2n(Cc3cccnc3N3CCCC3)nc(-c3cccc(O)c3)c12
Nc1ncnc2n(Cc3cccnc3N3CCCC3)nc(-c3cc(O)cc(F)c3)c12
CN(C)c1ncccc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
Nc1ncnc2n(CCn3c(nc4ccccc34)-c3ccccc3)nc(-c3cc(O)cc(F)c3)c12
Cc1ccccc1-c1nc2ccccc2n1CCn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2N2CCOCC2)c2ncnc(N)c12
Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2N2CCOCC2)c2ncnc(N)c12
CN(C)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)ccc3c2)c2c(N)ncnc12
Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)ncc3c2)c2c(N)ncnc12
Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3ncnc(N)c3c2)c2c(N)ncnc12
Nc1ncc2cc(ccc2n1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2ncnc(N)c12
Nc1ccc2cc(ccc2n1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2ncnc(N)c12
Nc1nc2cc(ccc2o1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2ncnc(N)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3F)nc(-c3ccc4ncnc(N)c4c3)c12
Nc1ncc2cc(ccc2n1)-c1nn(Cc2cc3ccccc3nc2N2CCOCC2)c2ncnc(N)c12
Nc1ccc2cc(ccc2n1)-c1nn(Cc2cc3ccccc3nc2N2CCOCC2)c2ncnc(N)c12
Nc1nc2cc(ccc2o1)-c1nn(Cc2cc3ccccc3nc2N2CCOCC2)c2ncnc(N)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCOCC3)nc(-c3ccc4ncnc(N)c4c3)c12
Nc1ncc2cc(ccc2n1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2)c2ncnc(N)c12
Nc1ccc2cc(ccc2n1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2)c2ncnc(N)c12
Nc1nc2cc(ccc2o1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2)c2ncnc(N)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3)nc(-c3ccc4ncnc(N)c4c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3N3CCCC3)nc(-c3ccc4cc[nH]c4c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3)nc(-c3cccc(O)c3)c12
CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc12
CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Nc1nc2cc(ccc2[nH]1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2ncnc(N)c12
Nc1nc2cc(ccc2[nH]1)-c1nn(Cc2cc3ccccc3nc2N2CCCC2)c2ncnc(N)c12
CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
Nc1nc2cc(ccc2[nH]1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2C(F)(F)F)c2ncnc(N)c12
CC(C)Oc1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CC(C)Oc1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Nc1ncc(cn1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2nccc(N)c12
CC(C)Oc1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
Nc1ncc(cn1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2)c2nccc(N)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3CCN3CCCC3)nc(-c3cc(O)cc(F)c3)c12
CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2CCN2CCCC2)c2ncnc(N)c12
Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2CCN2CCCC2)c2ncnc(N)c12
CN1CCN(CCc2nc3ccccc3cc2Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)CC1
CN1CCN(CCc2nc3ccccc3cc2Cn2nc(-c3ccc4nc(NC(C)=O)sc4c3)c3c(N)ncnc23)CC1
CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2-n2ccnc2C)c2ncnc(N)c12
CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3ccccc3nc2-n2cnc(C)c2)c2ncnc(N)c12
Nc1cc(ccn1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2ncnc(N)c12
Nc1cc(ccn1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2)c2ncnc(N)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3CN3CCCC3)nc(-c3cc(O)cc(F)c3)c12
Cc1nccn1-c1cc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
Cc1cn(cn1)-c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3F)nc(-c3ccnc(O)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3)nc(-c3ccnc(O)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3)nc(-c3cnn(CCO)c3)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3)nc(-c3cn[nH]c3)c12
Nc1nc2ccc(cc2[nH]1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2C(F)(F)F)c2ncnc(N)c12
Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)[nH]c3c2)c2c(N)ncnc12
CC(=O)Nc1nc2ccc(cc2[nH]1)-c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2ncnc(N)c12
CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)[nH]c3c2)c2c(N)ncnc12
CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)[nH]c3c2)c2c(N)ncnc12
CC1CCCN1c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
CC1CCCN1c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
CC1CCCN1c1nc2ccccc2cc1Cn1ncc2c(N)ncnc12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3F)nc(C#N)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3F)nc(C=C)c12
NC(=O)c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2ncnc(N)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3F)nc(\C=C3\SC(=O)NC3=O)c12
Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3F)nc(\C=C3\CCNC3=O)c12
NC(=O)\C=C\c1nn(Cc2cc3ccccc3nc2-c2ccccc2F)c2ncnc(N)c12
CN1CCN(CC1)c1nc2ccccc2nc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
CN1CCN(CC1)c1ncccc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
CC(Nc1ncnc(N)c1C#N)c1cc2nccn2nc1-c1ccccc1
CC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1
C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccn1 |r|
C[C@H](Nc1ncnc2[nH]cc(C#N)c12)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1ccccc1F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc2[nH]ccc12)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
CCC(Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1ccccc1
CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F
C[C@@H](c1cc2ncc(Cl)n2nc1-c1ccccc1)n1cnc2c(N)ncnc12 |r|
C[C@H](Nc1ncnc(N)c1-c1nn[nH]n1)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(C)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ncc(C)n2nc1-c1ccccc1 |r|
CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(F)c1
CCC(Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1ccccc1F
C[C@@H](c1cc2ncc(Cl)n2nc1-c1ccccc1)n1ccc2c(N)ncnc12 |r|
CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccn1
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1C
C[C@H](Nc1nc(C)nc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
CNc1ncnc(N[C@@H](C)c2cc3ncc(Cl)n3nc2-c2ccccc2)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cc(F)ccc1F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(F)c1F |r|
C[C@H](Nc1ncnc(N)c1-c1cccc(F)c1)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1ccc(O)c(F)c1)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
COc1ccc(cn1)-c1c(N)ncnc1N[C@@H](C)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1Cl)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(Cl)c1 |r|
C[C@H](N(C)c1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
CC[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(F)c1
CC[C@@H](Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1C(F)(F)F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)S(C)(=O)=O |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)C(F)(F)F |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccc(O)cc1 |r|
C[C@H](Nc1nc[n+]([O-])c(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C(O)=O)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(O)c1 |r|
C[C@H](Nc1ncnc(N)c1-c1cnn(C)c1)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2nc(C)cn2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2nc(C)c(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccsc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccc2cccnc2c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccc(F)c(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccc(Cl)c(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cc(F)cc(Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cc(C)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1S(C)(=O)=O |r|
COc1ccccc1-c1nn2c(Cl)cnc2cc1[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccc2OCCOc2c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccc2ccccc2c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cnn(C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccncc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccc2scnc2c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccnc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(F)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)C(C)(C)O |r|
C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
NC(=O)c1cc(ccc1F)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
NCc1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CN(C)Cc1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C(=O)N1CCCC1
CS(=O)(=O)NCc1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(CN2CCOCC2)c1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1ccc(F)c(CO)c1
CC(=O)Nc1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CS(=O)(=O)Nc1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CNC(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CN(C)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CN(C)C(=O)c1ccc(cc1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(O)=O
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(CN2CCOCC2)c1
CN(C)Cc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(C)C(C)(C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CS(=O)(=O)NCc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)N1CCOCC1
CC(C)(O)C1CCN(CC1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
NC(=O)c1cnc(NC(=O)c2cccc(c2)-c2cc(-c3ccnn3C3CCCCC3)c3c(N)ncnn23)s1
CC(=O)N1CCC(CC1)NC(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CN1CCCC(C1)NC(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CC(C)C(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
NC(=O)[C@@H]1CCCCN1C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)N1CC(C1)C#N
CN1CCN(CC1=O)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)NC1CCNC(=O)C1
CCC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CC(=O)NC1CCN(CC1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)N1CCN(CC1)C(=O)C1CCCO1
CN(C)C1CCCN(C1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
NC(=O)C1CCN(CC1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CC1(O)CN(C1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
NC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(-c3ccnn3C3CCCCC3)c3c(N)ncnn23)c1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)NC1CCOCC1
CNC(=O)C1CCN(CC1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)N1CCC(O)(CO)CC1
Cn1nc(cc1NC(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12)C1CC1
COC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)NC1CCNC1=O
CNC(=O)C(C)(C)NC(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)NC1(CO)CCOCC1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)N(C1CC1)C1CCOCC1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)N1CCS(=O)(=O)CC1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)Nc1nn[nH]n1
CN(C)Cc1cccc(c1)-c1cc(-c2ccnn2C2CCC(F)(F)CC2)c2c(N)ncnn12
CN(C)C(C)(C)c1cccc(c1)-c1cc(-c2ccnn2C2CCC(F)(F)CC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc(F)c(c1)C(=O)N(C1CC1)C1CCOCC1
CN(Cc1c(C)noc1C)C(=O)c1cc(ccc1F)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc(F)c(c1)C(=O)N(C1CC1)C1CC1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc(F)c(c1)C(=O)N1C[C@H]2CC[C@H](C1)O2 |TLB:28:30:37:33.34|
CN(CC1CCCN1C)C(=O)c1cc(ccc1F)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1cc(ccc1F)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
COc1ccc(cc1C(=O)N(C1CC1)C1CCOCC1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Cc1ccc(cc1C(=O)N(C1CC1)C1CCOCC1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc(Cl)c(c1)C(=O)N(C1CC1)C1CCOCC1
CN(CC(F)F)C(=O)c1cc(ccc1Cl)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Cc1n[nH]cc1CN(C1CC1)C(=O)c1cc(ccc1Cl)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc(Cl)c(c1)C(=O)N(Cc1nccs1)C1CC1
CN(C1CCOCC1)C(=O)c1cc(ccc1Cl)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1cc(ccc1Cl)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(CC(C)(C)CO)C(=O)c1cc(ccc1Cl)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CCN(CC)C(=O)c1cc(ccc1Cl)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Cn1cccc1-c1cc(-c2cccc(c2)C(=O)N(C2CC2)C2CCOCC2)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3cccn3-c3ccccc3)c12)-c1cccc(c1)C(=O)N(C1CC1)C1CCOCC1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C(=O)N(C1CC1)C1CC1
Cn1nccc1CN(C1CC1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(CC(C)(C)CO)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C(=O)N(Cc1nccs1)C1CC1
CN(CC1CCCN1C)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CCN(CC)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(Cc1c(C)noc1C)C(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(CC(C)(C)CO)C(=O)c1cc(Cl)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN1CCC(CC1)N(C1CC1)C(=O)c1cc(Cl)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cc(Cl)cc(c1)C(=O)NC1CCOCC1
CC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1cc(Cl)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(C1COC1)C(=O)c1cc(Cl)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(CC1CCCN1C)C(=O)c1cc(Cl)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(CC(C)(C)CO)C(=O)c1cc(F)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cc(F)cc(c1)C(=O)N(Cc1nccs1)C1CC1
CC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1cc(F)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(CC1CCCN1C)C(=O)c1cc(F)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(CC(F)F)C(=O)c1cc(ccc1F)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(C1CCOCC1)C(=O)c1cc(ccc1F)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc(F)c(c1)C(=O)N(Cc1nccs1)C1CC1
CN(C)C1(COC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)(C)[S+]([O-])NC1(COC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCC(=O)CC1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCC(=O)CC1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCC(O)C1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCC(O)CC1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)C1CCS(=O)(=O)CC1
Nc1ncnn2c(cc(-c3ccnn3CC(F)(F)F)c12)-c1cccc(c1)C1(COC1)C1CCS(=O)(=O)CC1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCOCC1
CC(C)n1nncc1-c1cc(-c2cccc(c2)C2(COC2)N2CCC(O)C2)n2ncnc(N)c12
CN(C1CCN(CC1)C(C)=O)C1(COC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(S(=O)C(C)(C)C)C1(COC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)(C)C(=O)NC1(COC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
C[C@@]1(O)C[C@@](C1)(C(=O)NC1CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12 |r,wU:1.1,wD:4.13,1.0,(3.58,-6.56,;3.98,-5.07,;5.47,-5.47,;3.98,-3.53,;2.44,-3.53,;2.44,-5.07,;2.44,-1.99,;1.1,-1.22,;3.77,-1.22,;3.77,.32,;4.54,1.65,;3,1.65,;.95,-3.13,;-.14,-4.22,;-1.63,-3.82,;-2.02,-2.34,;-.94,-1.25,;.55,-1.64,;-1.33,.24,;-.43,1.49,;-1.33,2.73,;-.56,4.07,;-1.47,5.31,;-.56,6.56,;.9,6.08,;.9,4.54,;1.99,3.45,;2.39,1.97,;3.48,3.05,;-2.8,2.26,;-4.13,3.03,;-4.13,4.57,;-5.47,2.26,;-5.47,.72,;-4.13,-.05,;-2.8,.72,)|
C[C@@]1(O)C[C@](C1)(C(=O)NC1CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12 |r,wU:1.0,wD:4.13,1.1,(5.47,-5.47,;3.98,-5.07,;3.58,-6.56,;2.44,-5.07,;2.44,-3.53,;3.98,-3.53,;2.44,-1.99,;1.1,-1.22,;3.77,-1.22,;3.77,.32,;4.54,1.65,;3,1.65,;.95,-3.13,;-.14,-4.22,;-1.63,-3.82,;-2.02,-2.34,;-.94,-1.25,;.55,-1.64,;-1.33,.24,;-.43,1.49,;-1.33,2.73,;-.56,4.07,;-1.47,5.31,;-.56,6.56,;.9,6.08,;.9,4.54,;1.99,3.45,;2.39,1.97,;3.48,3.05,;-2.8,2.26,;-4.13,3.03,;-4.13,4.57,;-5.47,2.26,;-5.47,.72,;-4.13,-.05,;-2.8,.72,)|
CNC(=O)[C@]1(C[C@@](C)(O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCC2)c2c(N)ncnn12 |r,wU:6.7,wD:4.10,6.6,(4.17,.27,;3.77,-1.22,;2.44,-1.99,;1.1,-1.22,;2.44,-3.53,;3.98,-3.53,;3.98,-5.07,;4.38,-6.56,;5.47,-5.47,;2.44,-5.07,;.95,-3.13,;-.14,-4.22,;-1.63,-3.82,;-2.02,-2.34,;-.94,-1.25,;.55,-1.64,;-1.33,.24,;-.43,1.49,;-1.33,2.73,;-.56,4.07,;-1.47,5.31,;-.56,6.56,;.9,6.08,;.9,4.54,;1.99,3.45,;2.39,1.97,;3.88,2.36,;3.48,3.85,;-2.8,2.26,;-4.13,3.03,;-4.13,4.57,;-5.47,2.26,;-5.47,.72,;-4.13,-.05,;-2.8,.72,)|
CNC(=O)[C@]1(C[C@@](C)(O)C1)c1cccc(c1)-c1cc(-c2ccnn2C(C)C)c2c(N)ncnn12 |r,wU:6.7,wD:4.10,6.6,(3.77,.32,;3.77,-1.22,;2.44,-1.99,;1.1,-1.22,;2.44,-3.53,;3.98,-3.53,;3.98,-5.07,;4.38,-6.56,;5.47,-5.47,;2.44,-5.07,;.95,-3.13,;-.14,-4.22,;-1.63,-3.82,;-2.02,-2.34,;-.94,-1.25,;.55,-1.64,;-1.33,.24,;-.43,1.49,;-1.33,2.73,;-.56,4.07,;-1.47,5.31,;-.56,6.56,;.9,6.08,;.9,4.54,;1.99,3.45,;2.39,1.97,;3.48,3.85,;-2.8,2.26,;-4.13,3.03,;-4.13,4.57,;-5.47,2.26,;-5.47,.72,;-4.13,-.05,;-2.8,.72,)|
Nc1ncnn2c(cc(-c3ccnn3C3CC3)c12)-c1cccc(c1)C1(CC(F)(F)C1)C(=O)NC1CC(F)(F)C1
CO[C@H]1C[C@](C1)(C(=O)NC1CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r,wU:2.1,wD:4.13,(1.83,-7.38,;2.92,-6.3,;2.52,-4.81,;1.19,-4.04,;1.96,-2.7,;3.29,-3.47,;2.36,-1.22,;1.27,-.13,;3.84,-.82,;4.61,.52,;5.95,1.29,;4.61,2.06,;.47,-2.31,;-.62,-3.4,;-2.11,-3,;-2.51,-1.51,;-1.42,-.42,;.07,-.82,;-1.81,1.07,;-.91,2.31,;-1.81,3.56,;-1.04,4.89,;-1.95,6.14,;-1.04,7.38,;.42,6.91,;.42,5.37,;1.51,4.28,;1.11,2.79,;2.2,1.7,;3.69,2.1,;4.09,3.59,;3,4.68,;-3.28,3.08,;-4.61,3.85,;-4.61,5.39,;-5.95,3.08,;-5.95,1.54,;-4.61,.77,;-3.28,1.54,)|
CO[C@H]1C[C@](C1)(C(=O)NC1CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12 |r,wU:2.1,wD:4.13,(2.14,-7.38,;3.23,-6.3,;2.83,-4.81,;1.5,-4.04,;2.27,-2.7,;3.6,-3.47,;2.66,-1.22,;1.57,-.13,;4.15,-.82,;4.55,.67,;5.64,1.76,;4.15,2.16,;.78,-2.31,;-.31,-3.4,;-1.8,-3,;-2.2,-1.51,;-1.11,-.42,;.38,-.82,;-1.51,1.07,;-.6,2.31,;-1.51,3.56,;-.74,4.89,;-1.64,6.14,;-.74,7.38,;.73,6.91,;.73,5.37,;1.82,4.28,;2.22,2.79,;3.3,3.88,;-2.97,3.08,;-4.31,3.85,;-4.31,5.39,;-5.64,3.08,;-5.64,1.54,;-4.31,.77,;-2.97,1.54,)|
CNC(=O)[C@@]1(C[C@@H](C1)OC(F)F)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r,wU:6.8,wD:4.12,(5.28,1.26,;4.51,-.07,;3.02,-.47,;1.93,.62,;2.62,-1.96,;1.85,-3.29,;3.19,-4.06,;3.96,-2.73,;3.59,-5.55,;2.5,-6.64,;2.9,-8.13,;1.01,-6.24,;1.14,-1.56,;.05,-2.65,;-1.44,-2.25,;-1.84,-.77,;-.75,.32,;.74,-.07,;-1.15,1.81,;-.24,3.06,;-1.15,4.3,;-.38,5.64,;-1.28,6.88,;-.38,8.13,;1.09,7.65,;1.09,6.11,;2.18,5.02,;1.78,3.54,;2.87,2.45,;4.35,2.85,;4.75,4.33,;3.66,5.42,;-2.61,3.83,;-3.95,4.6,;-3.95,6.14,;-5.28,3.83,;-5.28,2.29,;-3.95,1.52,;-2.61,2.29,)|
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)[C@]1(C[C@H](O)C1)C(=O)N1CCOCC1 |r,wU:27.31,wD:29.34,(-4.62,4.66,;-4.62,3.12,;-5.95,2.35,;-5.95,.81,;-4.62,.04,;-3.29,.81,;-1.82,.34,;-.92,1.58,;-1.82,2.83,;-1.05,4.16,;-1.96,5.41,;-1.05,6.65,;.41,6.18,;.41,4.64,;1.5,3.55,;1.1,2.06,;2.19,.97,;3.68,1.37,;4.08,2.86,;2.99,3.95,;-3.29,2.35,;-1.42,-1.15,;-2.51,-2.24,;-2.11,-3.73,;-.62,-4.13,;.46,-3.04,;.07,-1.55,;1.95,-3.43,;3.44,-3.83,;3.04,-5.32,;3.81,-6.65,;1.55,-4.92,;1.95,-1.89,;.62,-1.12,;3.29,-1.12,;4.62,-1.89,;5.95,-1.12,;5.95,.42,;4.62,1.19,;3.29,.42,)|
CN(C1COC1)C(=O)[C@@]1(C[C@H](O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |wU:8.8,10.11,(4.23,4.48,;2.7,4.64,;2.07,6.04,;2.62,7.48,;1.19,8.03,;.63,6.6,;1.79,3.39,;.26,3.55,;2.42,1.98,;2.87,.51,;4.34,.96,;5.68,.19,;3.89,2.43,;.91,1.66,;-.12,2.81,;-1.62,2.49,;-2.1,1.02,;-1.07,-.12,;.44,.2,;-1.54,-1.59,;-.64,-2.83,;-1.54,-4.08,;-1.07,-5.54,;-1.97,-6.79,;-1.07,-8.03,;.4,-7.56,;.4,-6.02,;1.64,-5.11,;3.05,-5.74,;4.29,-4.83,;4.13,-3.3,;2.73,-2.68,;1.48,-3.58,;-3.01,-3.6,;-4.34,-4.37,;-4.34,-5.91,;-5.68,-3.6,;-5.68,-2.06,;-4.34,-1.29,;-3.01,-2.06,)|
CNC(=O)[C@@]1(C[C@H](O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |wU:4.3,6.6,(-.36,6.5,;.26,5.09,;1.79,4.93,;2.7,6.17,;2.42,3.52,;2.87,2.05,;4.34,2.5,;5.68,1.73,;3.89,3.97,;.91,3.2,;-.12,4.35,;-1.62,4.03,;-2.1,2.56,;-1.07,1.42,;.44,1.74,;-1.54,-.05,;-.64,-1.29,;-1.54,-2.54,;-1.07,-4,;-1.97,-5.25,;-1.07,-6.5,;.4,-6.02,;.4,-4.48,;1.64,-3.58,;3.05,-4.2,;4.29,-3.3,;4.13,-1.76,;2.73,-1.14,;1.48,-2.04,;-3.01,-2.06,;-4.34,-2.83,;-4.34,-4.37,;-5.68,-2.06,;-5.68,-.52,;-4.34,.25,;-3.01,-.52,)|
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)[C@]1(C[C@H](O)C1)C(=O)NC1CC1 |wU:27.37,29.34,(-4.34,-5.14,;-4.34,-3.6,;-5.68,-2.83,;-5.68,-1.29,;-4.34,-.52,;-3.01,-1.29,;-1.54,-.81,;-.64,-2.06,;-1.54,-3.31,;-1.07,-4.77,;-1.97,-6.02,;-1.07,-7.26,;.4,-6.79,;.4,-5.25,;1.64,-4.34,;3.05,-4.97,;4.29,-4.06,;4.13,-2.53,;2.73,-1.9,;1.48,-2.81,;-3.01,-2.83,;-1.07,.65,;-2.1,1.8,;-1.62,3.26,;-.12,3.58,;.91,2.44,;.44,.97,;2.42,2.76,;2.87,1.28,;4.34,1.73,;5.68,.96,;3.89,3.21,;1.79,4.16,;2.7,5.41,;.26,4.32,;-.36,5.73,;-1.61,6.64,;-.2,7.26,)|
CC(C)NC(=O)[C@@]1(C[C@H](O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |wU:6.5,8.8,(.54,7.12,;-.36,5.87,;-1.9,6.03,;.26,4.47,;1.79,4.31,;2.7,5.55,;2.42,2.9,;2.87,1.43,;4.34,1.88,;5.68,1.11,;3.89,3.35,;.91,2.58,;-.12,3.72,;-1.62,3.4,;-2.1,1.94,;-1.07,.79,;.44,1.11,;-1.54,-.67,;-.64,-1.92,;-1.54,-3.16,;-1.07,-4.63,;-1.97,-5.87,;-1.07,-7.12,;.4,-6.64,;.4,-5.1,;1.64,-4.2,;3.05,-4.82,;4.29,-3.92,;4.13,-2.39,;2.73,-1.76,;1.48,-2.67,;-3.01,-2.69,;-4.34,-3.46,;-4.34,-5,;-5.68,-2.69,;-5.68,-1.15,;-4.34,-.38,;-3.01,-1.15,)|
CCNC(=O)[C@@]1(C[C@H](O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |wU:5.4,7.7,(-1.9,6.58,;-.36,6.42,;.26,5.01,;1.79,4.85,;2.7,6.09,;2.42,3.44,;2.87,1.97,;4.34,2.42,;5.68,1.65,;3.89,3.89,;.91,3.12,;-.12,4.27,;-1.62,3.95,;-2.1,2.48,;-1.07,1.34,;.44,1.66,;-1.54,-.13,;-.64,-1.37,;-1.54,-2.62,;-1.07,-4.09,;-1.97,-5.33,;-1.07,-6.58,;.4,-6.1,;.4,-4.56,;1.64,-3.66,;3.05,-4.28,;4.29,-3.38,;4.13,-1.85,;2.73,-1.22,;1.48,-2.12,;-3.01,-2.14,;-4.34,-2.91,;-4.34,-4.45,;-5.68,-2.14,;-5.68,-.6,;-4.34,.17,;-3.01,-.6,)|
COC1CCN(C1)C(=O)[C@@]1(C[C@H](O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |wU:11.12,wD:9.15,(4.8,8.68,;3.47,7.91,;3.47,6.37,;4.71,5.46,;4.24,4,;2.7,4,;2.22,5.46,;1.79,2.75,;.26,2.91,;2.42,1.34,;2.87,-.13,;4.34,.32,;5.68,-.45,;3.89,1.79,;.91,1.02,;-.12,2.17,;-1.62,1.85,;-2.1,.38,;-1.07,-.76,;.44,-.44,;-1.54,-2.23,;-.64,-3.47,;-1.54,-4.72,;-1.07,-6.18,;-1.97,-7.43,;-1.07,-8.68,;.4,-8.2,;.4,-6.66,;1.64,-5.75,;3.05,-6.38,;4.29,-5.48,;4.13,-3.94,;2.73,-3.32,;1.48,-4.22,;-3.01,-4.24,;-4.34,-5.01,;-4.34,-6.55,;-5.68,-4.24,;-5.68,-2.7,;-4.34,-1.93,;-3.01,-2.7,)|
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)[C@@]1(C[C@H](O)C1)C(=O)N1CC(F)(F)C1 |wD:29.34,27.31,(-4.34,-5.86,;-4.34,-4.32,;-5.68,-3.55,;-5.68,-2.01,;-4.34,-1.24,;-3.01,-2.01,;-1.54,-1.53,;-.64,-2.78,;-1.54,-4.03,;-1.07,-5.49,;-1.97,-6.74,;-1.07,-7.98,;.4,-7.51,;.4,-5.97,;1.64,-5.06,;3.05,-5.69,;4.29,-4.78,;4.13,-3.25,;2.73,-2.62,;1.48,-3.53,;-3.01,-3.55,;-1.07,-.07,;-2.1,1.08,;-1.62,2.54,;-.12,2.86,;.91,1.72,;.44,.25,;2.42,2.04,;3.89,2.49,;4.34,1.01,;5.68,.24,;2.87,.56,;1.79,3.44,;.26,3.6,;2.7,4.69,;4.22,4.93,;3.98,6.45,;4.14,7.98,;5.39,7.08,;2.46,6.21,)|
CCNC(=O)[C@@]1(C[C@H](O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12 |wU:5.4,7.7,(-1.9,6.58,;-.36,6.42,;.26,5.01,;1.79,4.85,;2.7,6.09,;2.42,3.44,;2.87,1.97,;4.34,2.42,;5.68,1.65,;3.89,3.89,;.91,3.12,;-.12,4.27,;-1.62,3.95,;-2.1,2.48,;-1.07,1.34,;.44,1.66,;-1.54,-.13,;-.64,-1.37,;-1.54,-2.62,;-1.07,-4.09,;-1.97,-5.33,;-1.07,-6.58,;.4,-6.1,;.4,-4.56,;1.64,-3.66,;2.27,-2.25,;3.17,-3.49,;-3.01,-2.14,;-4.34,-2.91,;-4.34,-4.45,;-5.68,-2.14,;-5.68,-.6,;-4.34,.17,;-3.01,-.6,)|
CC(C)NC(=O)[C@@]1(C[C@H](O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12 |wU:6.5,8.8,(.54,7.12,;-.36,5.87,;-1.9,6.03,;.26,4.47,;1.79,4.31,;2.7,5.55,;2.42,2.9,;2.87,1.43,;4.34,1.88,;5.68,1.11,;3.89,3.35,;.91,2.58,;-.12,3.72,;-1.62,3.4,;-2.1,1.94,;-1.07,.79,;.44,1.11,;-1.54,-.67,;-.64,-1.92,;-1.54,-3.16,;-1.07,-4.63,;-1.97,-5.87,;-1.07,-7.12,;.4,-6.64,;.4,-5.1,;1.64,-4.2,;2.27,-2.79,;3.17,-4.04,;-3.01,-2.69,;-4.34,-3.46,;-4.34,-5,;-5.68,-2.69,;-5.68,-1.15,;-4.34,-.38,;-3.01,-1.15,)|
Nc1ncnn2c(cc(-c3ccnn3C3CC3)c12)-c1cccc(c1)[C@]1(C[C@H](O)C1)C(=O)NCC(F)(F)F |wU:24.34,26.31,(-4.34,-5.16,;-4.34,-3.62,;-5.68,-2.85,;-5.68,-1.31,;-4.34,-.54,;-3.01,-1.31,;-1.54,-.83,;-.64,-2.08,;-1.54,-3.32,;-1.07,-4.79,;-1.97,-6.03,;-1.07,-7.28,;.4,-6.8,;.4,-5.26,;1.64,-4.36,;2.27,-2.95,;3.17,-4.2,;-3.01,-2.85,;-1.07,.63,;-2.1,1.78,;-1.62,3.24,;-.12,3.56,;.91,2.42,;.44,.95,;2.42,2.74,;2.87,1.26,;4.34,1.72,;5.68,.95,;3.89,3.19,;1.79,4.14,;2.7,5.39,;.26,4.31,;-.36,5.71,;-1.9,5.87,;-2.52,7.28,;-3.43,6.03,;-2.8,4.63,)|
Nc1ncnn2c(cc(-c3ccnn3C3CC3)c12)-c1cccc(c1)[C@]1(C[C@H](O)C1)C(=O)NC1CC1 |wU:24.34,26.31,(-4.34,-5.14,;-4.34,-3.6,;-5.68,-2.83,;-5.68,-1.29,;-4.34,-.52,;-3.01,-1.29,;-1.54,-.81,;-.64,-2.06,;-1.54,-3.31,;-1.07,-4.77,;-1.97,-6.02,;-1.07,-7.26,;.4,-6.79,;.4,-5.25,;1.64,-4.34,;2.27,-2.93,;3.17,-4.18,;-3.01,-2.83,;-1.07,.65,;-2.1,1.8,;-1.62,3.26,;-.12,3.58,;.91,2.44,;.44,.97,;2.42,2.76,;2.87,1.28,;4.34,1.73,;5.68,.96,;3.89,3.21,;1.79,4.16,;2.7,5.41,;.26,4.32,;-.36,5.73,;-1.61,6.64,;-.2,7.26,)|
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(CC1)C(=O)NC1CC(F)(F)C1
CCNC(=O)C1(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)NC(=O)C1(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(CC1)C(=O)NC1CC1
Nc1ncnn2c(cc(-c3ccnn3C3CC3)c12)-c1cccc(c1)C1(CC1)C(=O)NC1COC1
CCNC(=O)C1(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12
CC(C)NC(=O)C1(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12
CC1(C)OC(=O)NC1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN1C[C@H](O)C[C@H]1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN1C[C@@H](O)C[C@@H]1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN1C[C@H](O)C[C@@H]1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1C[C@H](O)C[C@H]1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
CC(C)(C)C(=O)N1C[C@H](O)C[C@H]1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
CC(=O)N1C[C@H](O)C[C@H]1c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12 |r|
CC(C)(C)OC(=O)N1C[C@H](O)CC1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)[C@@H]1C[C@@H](O)CN1C(=O)C1CC1 |r|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)C(C)C |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)C1CC1(F)F |r,w:1.0,1.1|
CC(C)[C@H]1C[C@H](O)CN1C(=O)C1CCOCC1 |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1 |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1scnc1C |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1cocn1 |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1cncs1 |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1ccncc1 |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1cccnc1 |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1C |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1cc[nH]n1 |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(F)c1 |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1ccnn1C |r,w:1.0,1.1|
CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1ccnnc1 |r,w:1.0,1.1|
CC(C)(C)[C@H]1COC(=O)N1Cc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
CC(C)CN1CCCOC1=O |w:1.0,1.1|
CC(C)CN1[C@H](COC1=O)C(C)C |r,w:1.0,1.1|
CC(C)CN1CCCC1=O |w:1.0,1.1|
CC(C)CN(C1CCOCC1)C(C)=O |w:1.0,1.1|
CC(C)CN1CCC(C)C1=O |w:1.0,1.1|
CC(C)CN1CC(C)(C)OC1=O |w:1.0,1.1|
CC(C)C(C)(C)N1CCOC1=O |w:1.0,1.1|
CC(C)CN1C[C@@H]2CC[C@@H](C1)O2 |r,w:1.0,1.1|
COc1ccc(cc1)C(=O)NCc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)C(C)(C)NC(=O)CC(C)(C)O |w:1.0,1.1|
CC(C)CN1CCN(CC1)C(C)=O |w:1.0,1.1|
CC(C)CN1CCN(C)C(=O)C1 |w:1.0,1.1|
CC(C)CN(C)C1CCOCC1 |w:1.0,1.1|
COCCN(C)CC(C)C |w:7.7,7.8|
CC(N1CC[C@@H](O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
CC(N1CCOCC1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(N1CCN(CC1)C(C)=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
COC1CCN(C1)C(C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(N1CCOCC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(N1C[C@H](C)O[C@H](C)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(N(C)C1CCOCC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(N1CC(C)(C)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(N1CC(C)(O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)(N1CCOCC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C(N1CCOCC1)C(F)(F)F
CN(C)C(C)(C)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CCN(CC)C(C)(C)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1nncc1-c1cc(-c2cccc(c2)[C@@H]2C[C@@H](O)CN2C(C)=O)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)C1CCNCC1
CC(=O)N1CCC(CC1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CN1CCC(CC1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1nncc1-c1cc(-c2cccc(c2)C2CCN(C)CC2)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(CN2CCOCC2=O)c1
CN(Cc1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C1CCOCC1
CC1OCC1NCc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CS(=O)(=O)N1CC(NCc2cccc(c2)-c2cc(-c3cnnn3C3CCOCC3)c3c(N)ncnn23)C1C1CC1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(CN(C2CCOCC2)C2CCOCC2)c1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(CN2CCOCC2)c1
CC(C)n1nncc1-c1cc(-c2cccc(CN3CC[C@@H](O)C3)c2)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(OC2CCS(=O)(=O)CC2)c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(OC2CCOCC2)c1
CC1CC(CC(C)O1)n1ncc2ccc(cc12)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(OC2CCNCC2)c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(OC2CCNCC2)c1
CN1CCC(CC1)Oc1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CN1CCC(CC1)Oc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)Oc1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)C(=O)N1CCC(CC1)Oc1cccc(c1)-c1cc(-c2cnnn2C(C)C)c2c(N)ncnn12
CC(=O)N1CCC(CC1)Oc1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1nncc1-c1cc(-c2cccc(OC3CCN(CC3)C(C)=O)c2)n2ncnc(N)c12
Cn1cc(ccc1=O)-c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1nncc1-c1cc(-c2cccc(c2)-c2ccc(=O)n(C)c2)n2ncnc(N)c12
Cn1cc(ccc1=O)-c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12
Cc1cc(=O)n(C)cc1-c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Cn1ccc(cc1=O)-c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1nncc1-c1cc(-c2cccc(c2)-c2ccn(C)c(=O)c2)n2ncnc(N)c12
Cn1ccc(cc1=O)-c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1nncc1-c1cc(-c2cccc(c2)N2CCS(=O)(=O)CC2)n2ncnc(N)c12
FC(F)(F)C(=O)Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)N1CCOCC1
Nc1ncnn2c(cc(-c3cnnn3C3CCCCC3)c12)-c1cccc(c1)N1CCS(=O)(=O)CC1
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cc(F)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cc(F)cc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cc(Cl)cc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cc(C)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cc(C)cc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
COc1cc(cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)N1C[C@H](C)N([C@H](C)C1)C(C)=O
COc1cc(cc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)N1C[C@H](C)N([C@H](C)C1)C(C)=O
CC(C)n1nncc1-c1cc(-c2cccc(c2)N2C(C)CN(CC2C)C(C)=O)n2ncnc(N)c12
C[C@H]1CN(C[C@@H](C)N1c1cc(F)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r|
C[C@H]1CN(C[C@@H](C)N1c1cc(F)cc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
C[C@H]1CN(C[C@@H](C)N1c1cc(C)cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
C[C@H]1CN(C[C@@H](C)N1c1cc(C)cc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
COc1cc(cc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)N1[C@@H](C)CN(C[C@H]1C)C(C)=O |r|
CC(C)n1nncc1-c1cc(-c2cccc(c2)N2CCN(CC2(C)C)C(C)=O)n2ncnc(N)c12
CC(=O)N1CCC(CC1)Oc1cccc(c1)-c1cc(-c2cncs2)c2c(N)ncnn12
CC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1cccc(c1)-c1cc(-c2cncs2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)C(=O)N(C1CC1)C1CCOCC1
CC(C)n1nncc1-c1cc(-c2cccc(c2)C(=O)N2CCCC2)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)C(=O)N1CCCC1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)C(=O)N(C1CC1)C1CC1
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(CC(=O)N2CCS(=O)(=O)CC2)c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1CC1C(=O)NC1CC1
CC1(O)CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCOCC1
COC1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCS(=O)(=O)CC1
CC(=O)N1CCN(C(C1)C(F)(F)F)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(C1)C(F)(F)F)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
C[C@H]1CN(C[C@@H](C)N1C(C)=O)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)C1CN(CC(C2CC2)N1C(C)=O)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1C(CN(CC1C1CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C1CC1
CC(C)C1CN(CC(C2CC2)N1C(C)=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(CC1c1ccccc1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(CC1c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(CC1c1cccnc1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(C1)c1ccccc1F)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(C1)c1ccccc1F)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(C1)c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(C1)c1cccnc1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC1C(C)N(CCN1C(C)=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC1C(C)N(CCN1C(C)=O)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(C1)c1ccc(Cl)cc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)NC1(C)CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r|
C[C@H]1CN(C)C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO
COC(=O)N1C[C@H](C)N([C@H](C)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO |r|
CC(C)n1nccc1-c1cc(-c2cccc(c2)N2[C@@H](C)CN(C[C@H]2C)C(C)=O)n2ncnc(N)c12
C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)S(C)(=O)=O
COC(=O)N1C[C@H](C)N([C@H](C)C1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C(C)(C)O |r|
C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C(C)(C)O
C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12)C(C)=O
CC(=O)N1CCN(c2cccc(c2)-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)C(C)(C)C1
CC(=O)N1CCN(c2cccc(c2)-c2cc(-c3cnnn3C3CCOCC3)c3c(N)ncnn23)C(C)(C)C1
COC(=O)N1CCN(c2cccc(c2)-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)C(C)(C)C1
CC1(C)CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)CO
CC1(C)CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)S(C)(=O)=O
CC(=O)N1CCN(c2cccc(c2)-c2cc(-c3cnnn3C3CCOCC3)c3c(N)ncnn23)C2(CC2)C1
CC(=O)N1CCN(c2cccc(c2)-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)C2(CC2)C1
CC(C)n1nncc1-c1cc(-c2cccc(c2)N2CCN(CC22CC2)C(C)=O)n2ncnc(N)c12
C[C@H](O)C(=O)N1CCN(c2cccc(c2)-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)C(C)(C)C1
CC1(C)CN(CCN1c1cccc(c1)-c1cc(-c2cnnn2C2CCCCC2)c2c(N)ncnn12)C(=O)CO
CC(=O)N1CCN(c2cccc(c2)-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)c2ccccc12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1CCNCC1
CC(=O)N1CCC(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1CCN(CC1)C1COC1
CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCN(CC1)C1COC1
CN1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(C1)c1ccccc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
COC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
COC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CS(=O)(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CS(=O)(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)C(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)C(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCN(CC1)C(=O)c1ccccc1
CC(=O)N1CCN(C(C1)c1ccccc1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CN(C1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(CC2)C(C)=O)n2ncnc(N)c12
CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCCOC1=O
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)N1CCCOC1=O
CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2cc3ccccc3[nH]2)c2c(N)ncnn12
CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCC(F)(F)CC2)c2c(N)ncnn12
CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CN(C1CCOCC1)C(C)(C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(C1CCOCC1)C(C)(C)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)(N1CCCC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)(N1CCCC1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)(c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)[N+]1(C)CCCC1
CN1CCC(O)(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCC(O)(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)C1(O)CCOCC1
COC1(CCOCC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
COC1(CCOCC1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)NC1(CCOCC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)NC1(CCN(CC1)C(C)=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(CCOCC1)C#N
NC(=O)C1(CCOCC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCC(F)(F)CC2)c2c(N)ncnn12
CC1(C)NCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cc3ccccc3[nH]2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC(=O)N1CC(=O)N(CC1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CC(=O)N(c2cccc(c2)-c2cc(-c3ccnn3C3CCC(F)(F)CC3)c3c(N)ncnn23)C(C)(C)C1
CC(C)n1nccc1-c1cc(-c2cccc(c2)N2C(=O)CN(CC2(C)C)C(C)=O)n2ncnc(N)c12
CC(=O)N1CC(=O)N(c2cccc(c2)-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)C(C)(C)C1
CC(=O)N1CCN(C(=O)C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
CC(=O)N1CC(=O)N(c2cccc(c2)-c2cc(-c3ccnn3C3CC3)c3c(N)ncnn23)C(C)(C)C1
CN1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1cc(cn1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2C)-c2ccccc2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)-c2ccccc2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2c[nH]nc2C(F)(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cc3ccccc3n2C)c2c(N)ncnn12
CC(C)Cn1cc(cn1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CC(=O)N(c2cccc(c2)-c2cc(-c3c[nH]nc3C(F)(F)F)c3c(N)ncnn23)C(C)(C)C1
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cn(C)nc2C(F)(F)F)c2c(N)ncnn12
CC(=O)N1CC(=O)N(c2cccc(c2)-c2cc(-c3cc4ccccc4[nH]3)c3c(N)ncnn23)C(C)(C)C1
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(CC3CC3)c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(C)c2-c2ccccc2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)C2CC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(CC(C)(C)O)c2)c2c(N)ncnn12
CC1(C)N(C(=O)CN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)c1ccc(F)cc1
CC1(C)N(C(=O)CN(C1=O)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)c1ccc(F)cc1
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)C2CCOC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)-c2cccnc2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)-c2ccccn2)c2c(N)ncnn12
CCC(C)n1cc(cn1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(C)N1C(C)C(=O)N(C(C)C1=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Cn1c2c(F)cccc2c(=O)n(-c2cccc(c2)-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)c1=O
Cn1c2ccccc2c(=O)n(-c2cccc(c2)-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)c1=O
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)-n1cnc2ccccc2c1=O
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)-n1c(=O)cc2ccccn2c1=O
Cn1c2ccccc2c(=O)n(-c2cccc(c2)-c2cc(-c3cnnn3C3CCOCC3)c3c(N)ncnn23)c1=O
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)-n1cnc2ccccc2c1=O
Cn1c2c(F)cccc2c(=O)n(-c2cccc(c2)-c2cc(-c3cnnn3C3CCOCC3)c3c(N)ncnn23)c1=O
CC(C)n1nncc1-c1cc(-c2cccc(c2)N2CC3CN(CC3C2)S(C)(=O)=O)n2ncnc(N)c12
CS(=O)(=O)N1CC2CN(CC2C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN1CC2CN(CC2C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CC2CN(CC2C1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CC2CN(CC2C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CC2CNCC2C1
CC(C)N1CC2CN(CC2C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CC2CN(CC2C1)C1CCC1
CC(N1CC2CN(CC2C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)(C)O
COCC(C)N1CC2CN(CC2C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(C1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)S(C)(=O)=O
CN(C1CCN(CC1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)S(C)(=O)=O
CC(C)n1nncc1-c1cc(-c2cccc(c2)N2CCC(CC2)N(C)S(C)(=O)=O)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1cccc(c1)N1CCC(CC1)N1CCCCC1=O
CN(C1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)c1ccco1
CN(C1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)Cc1cnccn1
CC(C)NC(=O)N(C)C1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CN(C1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C1(CC1)C#N
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCC(CC1)N1CCOCC1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCCC(C(=O)N2CCOCC2)C1=O
CN(C1CCN(C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)C(C)(C)O
CN(C1CCN(C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(=O)Cc1cnccn1
CN(C1CCN(C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
CC(=O)N[C@H]1CCN(C1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(COc2cccnc2)c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(COc2ccccn2)c1
CC(Cc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)N1CCOCC1
CC(Cc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)N1CCCC1
COCCNC(C)Cc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(Cc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)NC1CCOCC1
CC(Cc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)N(C)C1CCOCC1
CC(Cc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)N(C)C
CN(C)CC(C)(C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(CNC2CCOCC2)CC1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCC(C1)N1CCOCC1
CC(C)(O)C1CCN(CC1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)-c1ncc[nH]1
NC(=O)C1COCCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Cc1ncc(s1)-c1cc(-c2cccc(c2)-c2ccccc2C(N)=O)n2ncnc(N)c12
NC(=O)c1ccccc1-c1cccc(c1)-c1cc(-c2cncs2)c2c(N)ncnn12
NC(=O)c1c(F)cccc1-c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CCCc1ncc(s1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cn[nH]c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)C(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cncs2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc(C)s2)c2c(N)ncnn12
Cn1cc(cn1)-c1cc(-c2cccc(c2)-c2ccccc2C(N)=O)n2ncnc(N)c12
NC(=O)c1cccc(F)c1-c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
NC(=O)C1CCCCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(CC(F)F)c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc(s2)-c2ccccc2)c2c(N)ncnn12
CC(C)Cc1ncc(s1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2nc3ccccc3o2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(CC3CCC3)c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2nccs2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(CC(C)(C)C)c2)c2c(N)ncnn12
COCCn1cc(cn1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(CC3COC3)c2)c2c(N)ncnn12
NC(=O)C1CCCCCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1c(F)c(-c2cnn(C)c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1c(F)c(-c2cnn(CC(F)F)c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)S(C)(=O)=O)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(-c2cnn(c2)S(C)(=O)=O)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)S(=O)(=O)C2CC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(-c2cnn(c2)S(=O)(=O)C2CC2)c2c(N)ncnn12
CC(C)S(=O)(=O)n1cc(cn1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(C)S(=O)(=O)n1cc(cn1)-c1cc(-c2ccc(F)c(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)C(CF)CF)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)C2CCC2)c2c(N)ncnn12
CCn1cc(cn1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(F)cc(c1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1ccc(F)c(c1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(-c2cc(-c3cnn(C)c3)c3c(N)ncnn23)c1F
Cn1cc(cn1)-c1cc(-c2cccc(c2)N2CCN(C(=O)C3CCC3)C(C)(C)C2=O)n2ncnc(N)c12
Cn1cc(cn1)-c1cc(-c2cccc(c2)N2CCN(C(=O)C3CC3)C(C)(C)C2=O)n2ncnc(N)c12
Cn1cc(cn1)-c1cc(-c2cccc(c2)N2CCN(C(=O)CC#N)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(C[C@H](O)C(F)(F)F)c2)c2c(N)ncnn12 |r|
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(C[C@@H](O)C(F)(F)F)c2)c2c(N)ncnn12 |r|
C[C@H](O)Cn1cc(cn1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12 |r|
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(-c2cc(-c3ccnn3CC(F)(F)F)c3c(N)ncnn23)c1F
CC(=O)N1CCN(C(=O)C1(C)C)c1ccc(F)c(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(F)cc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C(CF)CF)c2c(N)ncnn12
CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)F)c2c(N)ncnn12
CC(C)C1N(CCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
CC(C)C1N(CCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12)C(C)=O
CC1N(CCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(C(C)C2=O)C(C)=O)n2ncnc(N)c12
CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(C(C)C2=O)S(C)(=O)=O)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCNC2(CC2)C1=O
CC(=O)N1CCN(C(=O)C11CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCN(C2CCC2)C2(CC2)C1=O
CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C3(CC3)C2=O)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCN(C2COC2)C2(CC2)C1=O
COC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCn2c(cccc2=O)C1=O
CC(=O)N1CC2CCC(C1)N2c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |TLB:11:10:6.7:3.4.9,1:3:10:6.7|
CC(=O)N1C2CCC1CN(C2)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |THB:11:9:3:5.6|
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(CN(C1)C(=O)c1ccc(F)cc1)N1CCS(=O)(=O)CC1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCN(CC1=O)c1ncccn1
CCn1cc(c(C)cc1=O)-c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CCn1cc(c(C)cc1=O)-c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1nncc1-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(C)c1nnc(o1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc(Cl)n2C)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cscn2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2nnc(C)s2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cc(C)no2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cn(CC3CC3)nn2)c2c(N)ncnn12
CC(C)n1cc(nn1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cn(C)nn2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnnc(C)c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccc(N)nc2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc3n(C)ccc3c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc3[nH]ncc3c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc3[nH]ccc3c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc3n(ccc3c2)C(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1c(F)ccc(-c2cc(-c3cnn(C)c3)c3c(N)ncnn23)c1F
CC(=O)N1CCN(C(=O)C1(C)C)c1c(F)ccc(-c2cc(-c3ccnn3CC(F)(F)F)c3c(N)ncnn23)c1F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(F)(F)F)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc(F)c(c1)N1CCn2c(cccc2=O)C1=O
Cc1cc(=O)n(CC(F)F)cc1-c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
Cc1cc2nccn2cc1-c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
CC1(C)N(CCN(C1=O)c1cccc(-c2cc(-c3ccnn3CC(F)(F)F)c3c(N)ncnn23)c1F)S(C)(=O)=O
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Cn1cc(cn1)-c1cc(-c2cccc(c2)N2CCn3c(cccc3=O)C2=O)n2ncnc(N)c12
CC(C)(O)c1ccc(cc1)C(=O)N1CC(C1)(N1CCS(=O)(=O)CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Cc1nc(no1)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2-c2ccccc2)c2c(N)ncnn12
Cc1nc(no1)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Cc1cc(=O)n(C)cc1-c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C)-c1cc(-c2cnn(c2)C(F)F)c2c(N)ncnn12
CC(C)n1cc(cn1)-c1cc(-c2ccc(F)c(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(-c2cnn(c2)C(F)F)c2c(N)ncnn12
CC(C)n1cc(cn1)-c1cc(-c2cc(F)cc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
Cc1cc2nncn2cc1-c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)-c2cccnn2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(CCN(CC1)C(=O)CC#N)C#N
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(-c2cnn(c2)C(C)C)c2c(N)ncnn12
Cn1cc(cn1)-c1cc(-c2ccc(F)c(c2)N2CCN(C(=O)C3CC3)C(C)(C)C2=O)n2ncnc(N)c12
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(-c2cnn(c2)C(F)F)c2c(N)ncnn12
CC(C)n1cc(cn1)-c1cc(-c2ccc(C)c(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
Cc1cc2nncn2cc1-c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(c2)-c2ncccn2)c2c(N)ncnn12
Cc1nnc2cc(C)c(cn12)-c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(C)n1nccc1-c1cc(-c2cccc(c2)C2(O)CCN(CC2(C)C)C(C)=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1c(F)c(-c2cnn(c2)C2CC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C)-c1cc(-c2ccnn2-c2ccccc2F)c2c(N)ncnn12
CC(C)n1nccc1-c1cc(-c2ccc(F)c(c2)N2CCS(=O)(=O)CC2)n2ncnc(N)c12
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12)S(C)(=O)=O
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(F)(F)F)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cc(ccc1F)N1CCS(=O)(=O)CC1
CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2nnc(o2)C2CC2(F)F)c2c(N)ncnn12
CC(n1nncc1-c1cc(-c2ccc(F)c(c2)N2CCS(=O)(=O)CC2)n2ncnc(N)c12)C(F)(F)F
CC(n1nccc1-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12)C(F)(F)F
Nc1ncnn2c(cc(I)c12)-c1cccc(c1)C(=O)N(C1CC1)C1CCOCC1
CC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1cccc(c1)-c1cc(Br)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(Br)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(I)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C)-c1cc(Br)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(Br)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(F)cc(c1)-c1cc(Br)c2c(N)ncnn12
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Br)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Br)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(C#N)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(C#N)c2c(N)ncnn12
Cc1ccc(cc1N1CCN(C(C)(C)C1=O)S(C)(=O)=O)-c1cc(C#N)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(C#N)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(F)(F)F)-c1cc(C#N)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C)-c1cc(C#N)c2c(N)ncnn12
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(C#N)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1c(F)ccc(-c2cc(c3c(N)ncnn23)C(F)(F)F)c1F
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(-c2cc(c3c(N)ncnn23)C(F)(F)F)c1F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(F)cc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(c2cccc(c2)-c2cc(c3c(N)ncnn23)C(F)(F)F)C(C)(C)C1
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(F)(F)F)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(C)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(C)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(C)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1c(F)ccc(-c2cc(C)c3c(N)ncnn23)c1F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(F)cc(c1)-c1cc(C)c2c(N)ncnn12
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(C)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(-c2cc(Cl)c3c(N)ncnn23)c1F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(F)cc(c1)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1ccc(F)c(c1)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(F)(F)F)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1c(F)ccc(-c2cc(Cl)c3c(N)ncnn23)c1F
Nc1ncnn2c(cc(Cl)c12)-c1ccc(F)c(c1)N1CCn2c(cccc2=O)C1=O
CC1(C)N(CCN(C1=O)c1cc(ccc1C(F)(F)F)-c1cc(Cl)c2c(N)ncnn12)S(C)(=O)=O
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)S(C)(=O)=O
COc1ccc(cc1N1CCN(C(C)(C)C1=O)S(C)(=O)=O)-c1cc(Cl)c2c(N)ncnn12
CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)S(C)(=O)=O
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
CC1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(-c2ccnn2C(C)C(F)(F)F)c2c(N)ncnn12
CC1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
C[C@@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1Cl)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(n1nccc1-c1cc(-c2ccc(F)c(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12)C(F)(F)F
CC(n1nccc1-c1cc(-c2ccc(F)c(c2)N2CCN(C(=O)C3CC3)C(C)(C)C2=O)n2ncnc(N)c12)C(F)(F)F
CC(n1nccc1-c1cc(-c2cccc(N3CCN(C(C)=O)C(C)(C)C3=O)c2F)n2ncnc(N)c12)C(F)(F)F
CC(n1nccc1-c1cc(-c2ccc(C#N)c(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2COC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc3n(C)cnc3c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(-c2cnc3n(C)cnc3c2)c2c(N)ncnn12
COc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(-c2cnc3n(C)cnc3c2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(-c2cc(-c3cnc4n(C)cnc4c3)c3c(N)ncnn23)c1F
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc3n(cnc3c2)C(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(-c2cnn(c2)C(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccn3ccnc3c2)c2c(N)ncnn12
CC(C)n1nccc1-c1cc(-c2cccc(c2)N2CCN(C[C@@H]2C)C(C)=O)n2ncnc(N)c12 |r|
C[C@H]1CN(CCN1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O |r|
Nc1nccn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)N1CCS(=O)(=O)CC1
NC(=O)c1ccccc1-c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)nccn12
CC(C)n1nccc1-c1cc(-c2ccc(C#N)c(c2)N2CCN(C(=O)C3CC3)C(C)(C)C2=O)n2ncnc(N)c12
CCCCC#Cc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(F)F)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
COC(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1Cl)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1S(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(C)(C)O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(F)F)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(-c2cnn(c2)C2CC2)c2c(N)ncnn12
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
COc1ccc(cc1N1[C@@H](C)CN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@@H]1CN([C@H](C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(C)=O |r|
CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CO
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CO
C[C@H](O)C(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
CCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC(C)c1ncc(-c2cc(-c3cccc(c3)N3CCN(C(=O)C4CC4)C(C)(C)C3=O)n3ncnc(N)c23)n1C
CC(C)c1ncc(-c2cc(-c3cccc(c3)N3CCN(C(C)=O)C(C)(C)C3=O)n3ncnc(N)c23)n1C
COc1ccc(cc1N1[C@@H](C)CN(C(C)=O)C(C)(C)C1=O)-c1cc(C#N)c2c(N)ncnn12 |r|
CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(=O)CS(C)(=O)=O
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1Cl)-c1cc(C#N)c2c(N)ncnn12 |r|
C[C@H]1CN([C@@H](C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(C)=O |r|
CC(=O)OCC1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)OCC1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC(=O)OCC1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
CC(=O)OCC1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(c1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
CC(=O)N1CC(CO)N(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CC(CO)N(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
COCC1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
COCC1CN(C(C)=O)C(C)(C)C(=O)N1c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1S(C)(=O)=O)-c1cc(C#N)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1S(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1S(C)(=O)=O)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@@H](n1nccc1-c1cc(-c2ccc(F)c(c2)N2[C@@H](C)CN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12)C(F)(F)F |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2ccnn2C(C(F)(F)F)C(F)(F)F)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(C#N)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12 |r|
C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2cnn(c2)C2CC2)c2c(N)ncnn12 |r|
CCC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(C)=O
CCC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(C)=O
CC[C@@]1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(C)=O |r|
CC[C@]1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(C)=O |r|
CC[C@]1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(C)=O |r|
CC[C@@]1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(C)=O |r|
CC1(C)CCCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
CC1(C)CCCN(C1=O)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
Nc1ncnn2c(cc(C#N)c12)-c1cccc(c1)N1CCOCC1=O
CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(C#N)c2c(N)ncnn12
C[C@@H]1COC(C)(C)C(=O)N1c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cccc(c1)-c1cc(C#N)c2c(N)ncnn12 |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cccc(c1)-c1cc(C#N)c2c(N)ncnn12 |r|
CC1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1S(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1S(C)(=O)=O)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1S(C)(=O)=O)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(C#N)c2c(N)ncnn12 |r|
C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1S(C)(=O)=O)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1S(C)(=O)=O)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(C#N)c2c(N)ncnn12
C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1S(C)(=O)=O)-c1cc(C#N)c2c(N)ncnn12 |r|
COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(C#N)c2c(N)ncnn12
C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1F)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C(N)=O)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C(N)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CN1CCOC1=O
C[C@@H](O)C(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCOC1=O
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CN1CCOC1=O
CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCOC1=O
CC(=O)NCCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
Cc1ccn(CCC(=O)N2CCN(C(=O)C2(C)C)c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)n1
CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCCCS1(=O)=O
CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12)C(=O)CS(C)(=O)=O
CC(=O)NCCC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCCC1=O
CC(C(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)S(C)(=O)=O
CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CCNS(C)(=O)=O
CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12)C(=O)CCNS(C)(=O)=O
CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(C#N)c2c(N)ncnn12)C(=O)CCNS(C)(=O)=O
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CCNS(C)(=O)=O
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CS(C)(=O)=O
CC(=O)NCCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CCNS(C)(=O)=O
CC(C(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)S(C)(=O)=O
CC(=O)NCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCS(=O)(=O)CC1
CC(C)(O)CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12
CC(C)(O)CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(C)(O)CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(C)(O)CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
C[C@H]1CN(C(=O)CS(C)(=O)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
CC1(C)CN(CC(=O)N2CCN(C(=O)C2(C)C)c2cc(ccc2C#N)-c2cc(c3c(N)ncnn23)C(F)(F)F)C(=O)C1
COc1ccc(cc1N1CCN(C(=O)C(C)S(C)(=O)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CNS(C)(=O)=O
C[C@H]1CN(C(=O)CS(C)(=O)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1CN(C(=O)CS(C)(=O)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC1(C)CN(CC(=O)N2CCN(C(=O)C2(C)C)c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)C(=O)C1
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CNS(C)(=O)=O
CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(=O)CNS(C)(=O)=O
CC(C)(O)CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
COc1ccc(cc1N1CCN(C(=O)C(C)NS(C)(=O)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CNS(C)(=O)=O
CC(=O)N1CCN(CC1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
CC(=O)N1CCN(CC1(C)C)c1cc(ccc1C#N)-c1cc(C#N)c2c(N)ncnn12
CC(=O)N1CCN(CC1(C)C)c1cc(ccc1C#N)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
CC(=O)N1CCN(CC1(C)C)c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC(=O)N1CCN(CC1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(C1)C(=O)N1CCCC1)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
CC1(C)O[C@H]2CCCC[C@H]2N(C1=O)c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
CC1(C)Oc2ccccc2N(C1=O)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
COC(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CN1CCN(CC1)C(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)NCCCO)-c1cc(c2c(N)ncnn12)C(F)(F)F
CN(CC(C)(C)O)C(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CN(CCO)C(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)NC1CC1)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)NCCO)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)NCC#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(N)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CNC(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CCNC(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CN(C)C(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)NCCF)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)NCCC(C)(C)O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)NCCS(C)(=O)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)N1CCOCC1)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)NCC(F)F)-c1cc(c2c(N)ncnn12)C(F)(F)F
CN(C)CCNC(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
COCCN(C)C(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)N1CCCC1)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(C)NC(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
COCCNC(=O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)Nc1cccnc1)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1-c1ncn(C)n1)-c1cc(C#N)c2c(N)ncnn12
C[C@@H](O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(C#N)c2c(N)ncnn12 |r|
C[C@H](O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(C#N)c2c(N)ncnn12 |r|
COCc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
COCc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
CC[C@@H](O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC[C@H](O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC[C@H](O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 |r|
CC[C@@H](O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 |r|
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2cnc(C)n2CC(F)(F)F)c2c(N)ncnn12
C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(-c2cnc(C)n2C)c2c(N)ncnn12 |r|
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-n2cc(C)cn2)c2c(N)ncnn12
CC(=O)N1CCN(CC1(C)C)c1cc(ccc1C#N)-c1c(F)c(Cl)c2c(N)ncnn12
C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1F)-c1c(F)c(Cl)c2c(N)ncnn12 |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1F)-c1c(F)c(Cl)c2c(N)ncnn12 |r|
Nc1ncnn2c(c(F)c(Cl)c12)-c1cccc(c1)N1CCOCC1=O
CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1c(F)c(Cl)c2c(N)ncnn12
CC1(C)N(CCN(C1=O)c1cccc(c1)-c1c(F)c(Cl)c2c(N)ncnn12)C#N
CC1(C)OCCN(C1=O)c1cccc(c1)-c1c(F)c(Cl)c2c(N)ncnn12
COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1c(F)c(Cl)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(-c2c(F)c(Cl)c3c(N)ncnn23)c1F |(6.04,-5.05,;5.64,-3.56,;6.73,-2.47,;4.15,-3.16,;3.06,-4.25,;1.57,-3.85,;1.18,-2.36,;2.27,-1.27,;1.87,.21,;3.75,-1.67,;3.75,-.13,;5.24,-1.27,;-.31,-1.96,;-1.4,-3.05,;-2.89,-2.65,;-3.29,-1.17,;-2.2,-.08,;-2.6,1.41,;-1.69,2.66,;-.15,2.66,;-2.6,3.9,;-1.83,5.24,;-4.06,3.43,;-5.39,4.2,;-5.39,5.74,;-6.73,3.43,;-6.73,1.89,;-5.39,1.12,;-4.06,1.89,;-.71,-.48,;.38,.61,)|
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1c(F)c(Cl)c2c(N)ncnn12
CC1CN(CC(C)N1C(C)=O)c1cc(ccc1C#N)-c1c(F)c(Cl)c2c(N)ncnn12
CCC(Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCOCC1
CCC(Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCCCC1
CCC(Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCC1
CCC(Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
CCC(Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCC(F)(F)CC1
CCC(Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCOCC1
CCn1ncc(c1C)-c1nc2c(NC(C)C(=O)N3CCOCC3)ncnc2n1C
CCC(Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1
CCn1ncc(c1C)-c1nc2c(N[C@H](Cc3ccccc3)C(=O)N3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(N[C@@H](Cc3ccccc3)C(=O)N3CCOCC3)ncnc2n1C |r|
CCn1c(nc2c(NC3(CC3)C(=O)N3CCC(F)(F)CC3)ncnc12)-c1cnc(C)nc1
CC[C@H](Nc1ncnc2n(CC)c(nc12)C(F)F)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
CCn1c(nc2c(N[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)C(F)F |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1ccc(nc1)C(F)(F)F)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCS(=O)(=O)CC1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCCC(CC1)OC |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCC(CC1)OCCOC |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(C1)C(F)F |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCCC(F)(F)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCC(CC1)C#N |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC2CCS(=O)(=O)C2C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC[C@H](F)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC[C@@H](F)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(C1)OC |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCC(C)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCC(C1)OC |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC2(C1)CCCC2 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCCC1C1CC1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCCC(C)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCSC1C |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCCOCC1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOC[C@@H]1C |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC11CCC1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOC(C1)C1CC1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOC2(CC2)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1C1CC1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@@H]2C[C@H]1CO2 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1C(C)C |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOC(C)(C)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1(C)C |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOC(COC)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)O[C@@H](C)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1CO |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCN2CCCC2C1 |r|
CCn1c(nc2c(N[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@@H](C3CC3)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@@H](CC(N)=O)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)C(C)(C)C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@@H](CC(C)C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
CCn1c(nc2c(N[C@@H](COC)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@@H](CO)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@@H](C3CCCC3)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@@H](C(C)C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)C(C)(C)O)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@@H](CN(C)C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@@H]([C@@H](C)OC)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@@H](C)CC(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(NC[C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(NC[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H](CC(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(NCC3(CC3)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H](CC(=O)N3C[C@H](C)O[C@H](C)C3)C(C)C)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@@H](C)CC(=O)N3CCCC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(NC[C@@H](C)C(=O)N3CCCC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(NCC3(CC3)C(=O)N3CCCC3)ncnc12)-c1cnc(C)nc1
CCn1c(nc2c(N[C@H](CC(=O)N3CCCC3)C(C)C)ncnc12)-c1cnc(C)nc1 |r|
CC[C@H](Nc1ccnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
CC[C@H](Nc1ccnc2n(CC)c(nc12)-c1ccc(nc1)C(F)(F)F)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
CCn1c(nc2c(N[C@@H]([C@@H](C)OC)C(=O)N3C[C@H](C)O[C@H](C)C3)ccnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(NC(C3CC3)C(=O)N3C[C@H](C)O[C@H](C)C3)ccnc12)-c1cnc(C)nc1 |r|
CCC(Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(O)(C1)C1CC1
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)N([C@H](C)C1)C(C)=O |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)N(C)[C@H](C)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(C)N(C)C(=O)C1 |r|
CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(=O)NC(C)(C)C1 |r|
CCC(Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCn2c(CC(C)C)nnc2C1
CCC(Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCc2c(C1)c(nn2C)C(C)C
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(C(N)=O)c1C |r,wD:1.0,(2,,;.67,-.77,;.67,-2.31,;2,-3.08,;3.33,-2.31,;4.67,-3.08,;6,-2.31,;4.67,-4.62,;3.33,-5.39,;3.33,-6.93,;2,-4.62,;.67,-5.39,;-.67,-6.16,;-.67,,;-2,-.77,;-3.33,,;-4.67,-.77,;-6,,;-6,1.54,;-4.67,2.31,;-4.67,3.85,;-3.33,1.54,;-2,2.31,;-2,3.85,;-.67,1.54,;.67,2.31,;2,1.54,;3.33,2.31,;3.33,3.85,;2,4.62,;2,6.16,;.67,6.93,;3.33,6.93,;.67,3.85,;-.67,4.62,)|
CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
NC(=O)c1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2-c2cccc(c2)C(N)=O)c1C#N |r|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccc(c2)C(N)=O)c1C#N |r|
NC(=O)c1cccc(c1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)c1cccc(c1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
Cc1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CCC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CCC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CCC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cccc(c1)C(N)=O |r|
NC(=O)c1cccc(c1)-n1c(nc2c(Cl)cc(F)cc2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cccc(c1)C(N)=O |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(cc(F)cc2c(=O)n1-c1cccc(c1)C(N)=O)C#N |r|
NC(=O)c1cccc(c1)-n1c(nc2c(cc(F)cc2c1=O)C#N)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C(F)F)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(C(F)F)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
NC(=O)c1cccc(c1)-n1c(nc2cccc(C(F)F)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(cccc2c(=O)n1-c1cccc(c1)C(N)=O)C#N |r|
C[C@H](Nc1ncnc(N)c1C#Cc1cnccn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(c1)C(N)=O |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1C#N)[C@@H](C)CC |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1[N+]([O-])=O)[C@@H](C)CC |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Br)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(CC=C)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(F)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2c(F)cccc2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(c2c1=O)C(F)(F)F)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2ccccc2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2ccc(F)cc2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cc(F)ccc2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(C)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(OC)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)N(C)c1ncnc(N)c1C#N |r|
CCNC(=O)Nc1ccc(Cl)c(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r,wD:25.28,(8,2.7,;6.67,3.47,;5.33,2.7,;4,3.47,;4,5.01,;2.67,2.7,;1.33,3.47,;1.33,5,;,5.78,;-1.33,5,;-2.67,5.78,;-1.33,3.47,;,2.7,;-2.67,2.69,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.47,;-6.67,5,;-5.33,2.69,;-4,3.47,;-4,5,;-1.33,.38,;,1.15,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;2.67,-3.47,;1.33,-4.23,;1.33,-5.78,;,-3.47,;-1.33,-4.23,;-2.67,-5,)|
CCNC(=O)Nc1ccc(C)c(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r,wD:25.28,(8,2.7,;6.67,3.47,;5.33,2.7,;4,3.47,;4,5.01,;2.67,2.7,;1.33,3.47,;1.33,5,;,5.78,;-1.33,5,;-2.67,5.78,;-1.33,3.47,;,2.7,;-2.67,2.69,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.47,;-6.67,5,;-5.33,2.69,;-4,3.47,;-4,5,;-1.33,.38,;,1.15,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;2.67,-3.47,;1.33,-4.23,;1.33,-5.78,;,-3.47,;-1.33,-4.23,;-2.67,-5,)|
CCNC(=O)Nc1cccc(c1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2c(F)ccc(Cl)c2c1=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(Cl)cccc2c(=O)n1-c1cccc(NC(=O)NCCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2c(F)cccc2c(=O)n1-c1cccc(NC(=O)NCCCO)c1 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnn2ccnc12 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(C#N)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Oc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc2scnc12 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1C[C@H](F)CN1c1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2cc(on2)C(C)(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2(CC2)C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC(F)(F)F)c1 |r|
CC(C)NC(=O)Nc1cc(ccc1F)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NS(=O)(=O)C2CCCC2)c1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NS(=O)(=O)C2CCCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NS(=O)(=O)C2CC2)c1 |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2cccc(NC(=O)NCC3OCCO3)c2)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r|
COCCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(N)=O)c1 |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2cccc(NC(=O)Nc3ccccn3)c2)c1C#N |r|
CNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(N)=O)c1 |r|
CNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#Cc1ccccn1 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(C)nc(N)n1 |r|
CCNC(=O)Nc1cccc(c1Cl)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r,wD:25.28,(6,3.08,;4.67,3.85,;4.67,5.39,;3.33,6.16,;3.33,7.7,;2,5.39,;2,3.85,;3.33,3.08,;3.33,1.54,;2,.77,;.67,1.54,;.67,3.08,;-.67,3.85,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-6,-.77,;-6,.77,;-4.67,1.54,;-4.67,3.08,;-3.33,.77,;-2,1.54,;-2,3.08,;.67,-1.54,;2,-.77,;.67,-3.08,;2,-3.85,;3.33,-3.08,;4.67,-3.85,;4.67,-5.39,;3.33,-6.16,;3.33,-7.7,;2,-5.39,;.67,-6.16,;-.67,-6.93,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C(O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2S(O)(=O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2c(Cl)cccc2Cl)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2c(Cl)cccc2Cl)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccc(F)cc2F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C#N)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2Cl)c1 |r|
COc1ccccc1NC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccncc2Cl)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccncc2Cl)c1 |r|
CONC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2nnn[nH]2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCN(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2cccnc2)c1 |r|
CC(C)NC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2CCCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2CCCCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2CCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC(C)(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2CC2)c1 |r|
CCCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCF)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCCO)c1 |r|
CC(O)CNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
Nc1ncnc(N[C@@H](COCc2ccccc2)c2nc3cccc(Cl)c3c(=O)n2-c2cccc(NC(=O)NCCCO)c2)c1C#N |r|
OCCCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](COCc1ccccc1)Nc1ncnc2[nH]cnc12 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](COCc1ccccc1)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](COCc1ccccc1)Nc1ncnc2[nH]cnc12 |r|
COCCCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C(O)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCC(O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC(C)(C)CO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC(C)(C)C(O)=O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC(C)(C)CCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC(C)(C)CO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCC(C)(C)O)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2OCCO)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2S(C)(=O)=O)c1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2S(C)(=O)=O)c1 |r|
NC(=O)c1cc(F)cc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1Cl)C1CC1 |r|
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NC2(CC2)C(F)(F)F)c1 |r|
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC(F)F)c1 |r|
COCCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)C(C)Oc1ncnc2scnc12
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2cc(no2)C(F)(F)F)c1 |r|
CCNC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Oc1ncnc2scnc12 |r|
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC(F)(F)C(F)(F)F)c1 |r|
CONC(=O)Nc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Oc1ncnc2scnc12 |r|
CC(Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC(F)(F)F)c1
CC(Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)Nc2ccccc2Cl)c1
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCC2OCCO2)c1 |r|
C[C@H](Oc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(NC(=O)NCCO)c1 |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2cccc(NC(=O)NCC(F)(F)F)c2)c1C#N |r|
NC(=O)c1cc(F)cc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)c1cc(F)cc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)c1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)c1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3ccc(F)c(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N
COc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
COc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Cn1cc(cn1)-c1c(F)ccc2nc([C@@H]3CCCN3c3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Cc1nc(N)nc(N2CCC[C@H]2c2nc3ccc(F)c(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N |r|
COc1ncc(cn1)-c1c(F)ccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Cn1cc(cn1)-c1c(F)ccc2nc([C@@H]3C[C@H](O)CN3c3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
COc1ncc(s1)-c1c(F)ccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
CO[C@H]1C[C@H](N(C1)c1nc(N)nc(C)c1C#N)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
CO[C@H]1C[C@H](N(C1)c1nc(N)nc2[nH]cnc12)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
CO[C@H]1C[C@H](N(C1)c1nc(N)nc(C)c1C#N)c1nc2cccc(-c3cnc(OC)nc3)c2c(=O)n1-c1ccccc1 |r|
Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Cc1ccccc1-n1c(nc2cccc(-c3cnn(C)c3)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r,wD:24.27,(.62,4.67,;1.95,3.9,;3.28,4.67,;4.62,3.9,;4.62,2.36,;3.28,1.59,;1.95,2.36,;.62,1.59,;.62,.05,;-.72,-.72,;-2.05,.05,;-3.38,-.72,;-4.72,.05,;-4.72,1.59,;-3.38,2.36,;-3.38,3.9,;-2.14,4.8,;-2.61,6.27,;-4.15,6.27,;-4.92,7.6,;-4.63,4.8,;-2.05,1.59,;-.72,2.36,;-.72,3.9,;1.95,-.72,;3.41,-.25,;4.32,-1.49,;3.41,-2.74,;1.95,-2.26,;1.18,-3.6,;-.36,-3.6,;-1.13,-4.93,;-.36,-6.27,;1.18,-6.27,;1.95,-7.6,;1.95,-4.93,;3.44,-5.33,;4.92,-5.73,)|
Cc1ccccc1-n1c(nc2cccc(-c3cn(C)cn3)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r,wD:24.27,(.62,4.67,;1.95,3.9,;3.28,4.67,;4.62,3.9,;4.62,2.36,;3.28,1.59,;1.95,2.36,;.62,1.59,;.62,.05,;-.72,-.72,;-2.05,.05,;-3.38,-.72,;-4.72,.05,;-4.72,1.59,;-3.38,2.36,;-3.38,3.9,;-4.63,4.8,;-4.15,6.27,;-4.92,7.6,;-2.61,6.27,;-2.14,4.8,;-2.05,1.59,;-.72,2.36,;-.72,3.9,;1.95,-.72,;3.41,-.25,;4.32,-1.49,;3.41,-2.74,;1.95,-2.26,;1.18,-3.6,;-.36,-3.6,;-1.13,-4.93,;-.36,-6.27,;1.18,-6.27,;1.95,-7.6,;1.95,-4.93,;3.44,-5.33,;4.92,-5.73,)|
Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3cccc(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(-c4cncnc4)c3c(=O)n2-c2ccccc2)c1C#N |r|
COc1cncc(c1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Cc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(-c4cccnc4)c3c(=O)n2-c2ccccc2)c1C#N |r|
COc1ccc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
COc1ncc(cn1)-c1cccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3cccc(-c4cccnc4)c3c(=O)n2-c2ccccc2)c1C#N |r|
COc1cncc(c1)-c1cccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3cccc(-c4cncnc4)c3c(=O)n2-c2ccccc2)c1C#N |r|
COc1ccc(cn1)-c1cccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3cccc(-c4cnn(CCO)c4)c3c(=O)n2-c2ccccc2)c1C#N |r|
CCOc1ncc(cn1)-c1c(F)ccc2nc([C@@H]3C[C@H](O)CN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Cc1nc(N)nc(N2C[C@@H](F)C[C@H]2c2nc3cccc(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3ccc(F)c(-c4cn(C)cn4)c3c(=O)n2-c2ccccc2)c1C#N |r|
CCOc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCO)c3c(=O)n2-c2ccccc2)c1C#N |r|
Cc1ncc(s1)-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCCCO
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCC1(C)COC1
Cc1ncc(s1)-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(6.06,1.92,;4.52,1.92,;3.61,.68,;2.15,1.15,;2.15,2.69,;3.61,3.17,;.82,3.46,;.82,5,;-.52,5.78,;-1.85,5,;-1.85,3.46,;-.52,2.69,;-3.19,2.69,;-3.19,1.15,;-4.52,.38,;-5.85,1.15,;-5.85,2.69,;-4.52,3.46,;-4.52,5,;-4.52,-1.16,;-2.98,-1.16,;-6.06,-1.16,;-4.52,-2.7,;-3.19,-3.47,;-1.85,-2.7,;-.52,-3.47,;-.52,-5.01,;.82,-5.78,;-1.85,-5.78,;-3.19,-5.01,)|
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(4.78,4.98,;4.38,3.49,;5.29,2.24,;4.38,1,;4.78,-.49,;2.92,1.47,;2.92,3.01,;1.59,3.78,;1.59,5.32,;.25,6.09,;-1.08,5.32,;-1.08,3.78,;.25,3.01,;-2.42,3.01,;-2.42,1.47,;-3.75,.7,;-5.08,1.47,;-5.08,3.01,;-3.75,3.78,;-3.75,5.32,;-3.75,-.84,;-2.21,-.84,;-5.29,-.84,;-3.75,-2.38,;-2.42,-3.15,;-2.02,-4.63,;-.53,-4.23,;-.13,-5.72,;1.36,-5.32,;2.69,-6.09,;.96,-3.84,;-.93,-2.75,)|
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1C[C@H](O)C1 |r,wU:25.27,27.30,(3.96,6.23,;3.96,4.69,;5.2,3.78,;4.73,2.32,;5.5,.99,;3.19,2.32,;2.71,3.78,;1.38,4.55,;1.38,6.09,;.04,6.86,;-1.29,6.09,;-1.29,4.55,;.04,3.78,;-2.62,3.78,;-2.62,2.24,;-3.96,1.47,;-5.29,2.24,;-5.29,3.78,;-3.96,4.55,;-3.96,6.09,;-3.96,-.07,;-2.42,-.07,;-5.5,-.07,;-3.96,-1.61,;-3.96,-3.15,;-2.87,-4.24,;-2.87,-5.78,;-1.33,-5.78,;-.24,-6.86,;-1.33,-4.24,)|
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)CO
Cc1ccc(cc1-c1cncc(n1)-c1cnn(CCN2CCOCC2)c1)S(=O)(=O)NCCC(C)(C)O
Cc1nn(CCN2CCOCC2)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cncc(n1)-c1cccnc1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(-2,5,;-2,3.47,;-3.33,2.69,;-3.33,1.15,;-2,.38,;-.67,1.15,;-.67,2.69,;.67,3.47,;.67,5,;2,5.78,;3.33,5,;3.33,3.47,;2,2.69,;4.67,2.69,;4.67,1.15,;6,.38,;7.34,1.15,;7.34,2.69,;6,3.47,;-2,-1.15,;-3.54,-1.15,;-.46,-1.15,;-2,-2.69,;-3.33,-3.47,;-3.33,-5,;-4.67,-5.78,;-6,-5,;-7.34,-5.78,;-6,-3.47,;-4.67,-2.69,)|
Cc1ccc(cc1-c1cncc(n1)-c1csc(CN2CCOCC2)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:32.36,(-4.16,5,;-4.16,3.47,;-5.5,2.69,;-5.5,1.15,;-4.16,.38,;-2.83,1.15,;-2.83,2.69,;-1.49,3.47,;-1.49,5,;-.16,5.78,;1.17,5,;1.17,3.47,;-.16,2.69,;2.51,2.69,;2.51,1.15,;3.97,.68,;4.88,1.93,;6.42,1.93,;7.19,.59,;6.42,-.74,;7.19,-2.08,;8.73,-2.08,;9.5,-.74,;8.73,.59,;3.97,3.17,;-4.16,-1.15,;-5.7,-1.15,;-2.62,-1.15,;-4.16,-2.69,;-5.5,-3.47,;-5.5,-5,;-6.83,-5.78,;-8.16,-5,;-9.5,-5.78,;-8.16,-3.47,;-6.83,-2.69,)|
Cc1cc(-c2cncc(n2)-c2cc(ccc2C)S(=O)(=O)NC[C@@H]2C[C@H](O)C2)n(C)n1 |r,wU:22.23,24.26,(6.1,4.85,;4.77,4.08,;3.52,4.98,;2.27,4.08,;.94,4.85,;.94,6.39,;-.39,7.16,;-1.73,6.39,;-1.73,4.85,;-.39,4.08,;-3.06,4.08,;-3.06,2.54,;-4.39,1.77,;-5.73,2.54,;-5.73,4.08,;-4.39,4.85,;-4.39,6.39,;-4.39,.23,;-5.93,.23,;-2.85,.23,;-4.39,-1.31,;-5.73,-2.08,;-5.33,-3.57,;-6.1,-4.9,;-4.77,-5.67,;-4.37,-7.16,;-4,-4.34,;2.75,2.61,;1.98,1.28,;4.29,2.61,)|
CC(c1cc(Cl)c(C)c2CN(CCOc12)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CNCCOc12)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CC(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12 |(-1.48,-3.16,;-2.81,-2.39,;-2.81,-.85,;-4.15,-.08,;-4.15,1.46,;-5.48,2.23,;-2.81,2.23,;-2.81,3.77,;-1.48,1.46,;-.27,2.42,;1.23,2.08,;1.9,.69,;1.23,-.7,;-.27,-1.04,;-1.48,-.08,;2.19,3.28,;3.72,3.45,;3.55,4.98,;2.02,4.81,;4.51,6.19,;3.94,7.62,;6.03,5.96,;6.59,4.52,;5.63,3.32,;8.11,4.3,;7.55,5.73,;-4.15,-3.16,;-5.55,-2.53,;-6.58,-3.68,;-8.11,-3.52,;-5.81,-5.01,;-6.29,-6.48,;-7.79,-6.8,;-5.26,-7.62,;-3.75,-7.3,;-3.28,-5.84,;-4.31,-4.69,)|
CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CCC1)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CCCC1)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CCCCC1)n1nc(C)c2c(N)ncnc12
COC1CCC(CC1)N1CCOc2c(C1)c(C)c(Cl)cc2C(C)n1nc(C)c2c(N)ncnc12 |(7.35,7.03,;5.83,7.26,;4.87,6.05,;5.43,4.62,;4.47,3.42,;2.95,3.65,;2.39,5.08,;3.35,6.28,;1.99,2.44,;2.66,1.05,;1.99,-.33,;.49,-.68,;-.72,.28,;-.72,1.82,;.49,2.78,;-2.05,2.59,;-2.05,4.13,;-3.38,1.82,;-4.72,2.59,;-3.38,.28,;-2.05,-.49,;-2.05,-2.03,;-.72,-2.8,;-3.38,-2.8,;-4.79,-2.17,;-5.82,-3.31,;-7.35,-3.15,;-5.05,-4.65,;-5.53,-6.11,;-7.03,-6.43,;-4.5,-7.26,;-2.99,-6.94,;-2.51,-5.47,;-3.54,-4.33,)|
CC(c1cc(Cl)c(C)c2CN(C)CCOc12)n1nc(C)c2c(N)ncnc12
CC(C)N1CCOc2c(cc(Cl)c(C)c2C1)C(C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CC#N)CCOc12)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)C(=O)CC#N)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)S(=O)(=O)c1ccccc1)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)C(=O)Nc1ccccc1C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)C(=O)c1ccccc1)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)S(=O)(=O)c1c(C)noc1C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)S(=O)(=O)C1CC1)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)C(C)=O)n1nc(C)c2c(N)ncnc12
CCC(=O)N1CCOc2c(C1)c(C)c(Cl)cc2C(C)n1nc(C)c2c(N)ncnc12
COCC(=O)N1CCOc2c(cc(Cl)c(C)c2C1)C(C)n1nc(C)c2c(N)ncnc12
CC(C)C(=O)N1CCOc2c(cc(Cl)c(C)c2C1)C(C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)c1ncc(s1)C#N)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2CN(CCOc12)c1cnccn1)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c2c1OCCNC2=O)n1nc(C)c2c(N)ncnc12
C[C@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12 |r|
C[C@@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12 |r|
C[C@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
C[C@@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
C[C@H](c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
C[C@@H](c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
C[C@H](c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
C[C@@H](c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(CCOc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(F)c2CN([C@@H](C)COc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN([C@H](C)COc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
C[C@H](c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
C[C@@H](c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
C[C@H](c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
C[C@@H](c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CC(C1)C(O)=O)n1nc(C)c2c(N)ncnc12 |r,wD:12.12,(2.11,-1.89,;.78,-2.66,;-.56,-1.89,;-1.89,-2.66,;-3.23,-1.89,;-4.56,-2.66,;-3.23,-.35,;-4.56,.42,;-1.89,.42,;-2.12,1.95,;-1.07,3.08,;.46,2.96,;1.33,1.69,;2.85,1.92,;.88,.22,;-.56,-.35,;-1.64,4.51,;-1.02,5.92,;-2.43,6.54,;-3.05,5.13,;-2.99,7.97,;-2.03,9.17,;-4.52,8.2,;.78,-4.2,;-.47,-5.1,;.01,-6.57,;-.9,-7.81,;1.55,-6.57,;2.58,-7.71,;2.1,-9.17,;4.08,-7.39,;4.56,-5.93,;3.53,-4.78,;2.02,-5.1,)|
CC(c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CC(C1)C(O)=O)n1nc(C)c2c(N)ncnc12 |r,wU:12.12,(2.11,-1.89,;.78,-2.66,;-.56,-1.89,;-1.89,-2.66,;-3.23,-1.89,;-4.56,-2.66,;-3.23,-.35,;-4.56,.42,;-1.89,.42,;-2.12,1.95,;-1.07,3.08,;.46,2.96,;1.33,1.69,;2.85,1.92,;.88,.22,;-.56,-.35,;-1.64,4.51,;-1.02,5.92,;-2.43,6.54,;-3.05,5.13,;-2.99,7.97,;-2.03,9.17,;-4.52,8.2,;.78,-4.2,;-.47,-5.1,;.01,-6.57,;-.9,-7.81,;1.55,-6.57,;2.58,-7.71,;2.1,-9.17,;4.08,-7.39,;4.56,-5.93,;3.53,-4.78,;2.02,-5.1,)|
CC(c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CC(C1)C(N)=O)n1nc(C)c2c(N)ncnc12 |r,wD:12.12,(2.11,-1.89,;.78,-2.66,;-.56,-1.89,;-1.89,-2.66,;-3.23,-1.89,;-4.56,-2.66,;-3.23,-.35,;-4.56,.42,;-1.89,.42,;-2.12,1.95,;-1.07,3.08,;.46,2.96,;1.33,1.69,;2.85,1.92,;.88,.22,;-.56,-.35,;-1.64,4.51,;-1.02,5.92,;-2.43,6.54,;-3.05,5.13,;-2.99,7.97,;-2.03,9.17,;-4.52,8.2,;.78,-4.2,;-.47,-5.1,;.01,-6.57,;-.9,-7.81,;1.55,-6.57,;2.58,-7.71,;2.1,-9.17,;4.08,-7.39,;4.56,-5.93,;3.53,-4.78,;2.02,-5.1,)|
CC(c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CC(C1)C(N)=O)n1nc(C)c2c(N)ncnc12 |r,wU:12.12,(2.11,-1.89,;.78,-2.66,;-.56,-1.89,;-1.89,-2.66,;-3.23,-1.89,;-4.56,-2.66,;-3.23,-.35,;-4.56,.42,;-1.89,.42,;-2.12,1.95,;-1.07,3.08,;.46,2.96,;1.33,1.69,;2.85,1.92,;.88,.22,;-.56,-.35,;-1.64,4.51,;-1.02,5.92,;-2.43,6.54,;-3.05,5.13,;-2.99,7.97,;-2.03,9.17,;-4.52,8.2,;.78,-4.2,;-.47,-5.1,;.01,-6.57,;-.9,-7.81,;1.55,-6.57,;2.58,-7.71,;2.1,-9.17,;4.08,-7.39,;4.56,-5.93,;3.53,-4.78,;2.02,-5.1,)|
CC(c1cc(Cl)c(F)c2CN(CCCOc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C#N)c2CN(CCOc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C#N)c2CN(CCOc12)C1CN(CCO)C1)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CN(CC(N)=O)C1)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(CC(N)=O)C1)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CN(CC(C)(C)O)C1)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(CC(C)(C)O)C1)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CN(CCO)C1)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(CCO)C1)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(CCO)CCOc12)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C#N)c2CN(Cc3cccnc3)C[C@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(Cc3cccnc3)C[C@@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
C[C@H](c1cc(Cl)c(C#N)c2CN(CCO)C[C@@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
C[C@@H](c1cc(Cl)c(C#N)c2CN(CCO)C[C@@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
C[C@H](c1cc(Cl)c(C#N)c2CN(CCO)C[C@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
C[C@@H](c1cc(Cl)c(C#N)c2CN(CCO)C[C@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(CC(C)(C)O)C[C@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(CC(C)(C)O)C[C@@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CC(C1)NC(C)=O)n1nc(C)c2c(N)ncnc12 |r,wD:13.13,(2.78,-2.66,;1.44,-3.43,;.11,-2.66,;-1.22,-3.43,;-2.56,-2.66,;-3.89,-3.43,;-2.56,-1.12,;-3.89,-.35,;-5.23,.42,;-1.22,-.35,;-1.45,1.17,;-.41,2.3,;1.13,2.18,;2,.91,;3.52,1.14,;1.54,-.56,;.11,-1.12,;-.81,3.79,;-.04,5.12,;-1.37,5.89,;-2.14,4.56,;-1.77,7.38,;-.68,8.47,;.81,8.07,;-1.08,9.95,;1.44,-4.97,;.2,-5.88,;.67,-7.34,;-.1,-8.68,;2.21,-7.34,;3.24,-8.49,;2.77,-9.95,;4.75,-8.17,;5.23,-6.7,;4.2,-5.56,;2.69,-5.88,)|
CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CC(C1)NC(C)=O)n1nc(C)c2c(N)ncnc12 |r,wU:13.13,(2.78,-2.66,;1.44,-3.43,;.11,-2.66,;-1.22,-3.43,;-2.56,-2.66,;-3.89,-3.43,;-2.56,-1.12,;-3.89,-.35,;-5.23,.42,;-1.22,-.35,;-1.45,1.17,;-.41,2.3,;1.13,2.18,;2,.91,;3.52,1.14,;1.54,-.56,;.11,-1.12,;-.81,3.79,;-.04,5.12,;-1.37,5.89,;-2.14,4.56,;-1.77,7.38,;-.68,8.47,;.81,8.07,;-1.08,9.95,;1.44,-4.97,;.2,-5.88,;.67,-7.34,;-.1,-8.68,;2.21,-7.34,;3.24,-8.49,;2.77,-9.95,;4.75,-8.17,;5.23,-6.7,;4.2,-5.56,;2.69,-5.88,)|
CC[C@H]1CN(CCO)Cc2c(O1)c(cc(Cl)c2C#N)C(C)n1nc(C)c2c(N)ncnc12 |r|
CC[C@@H]1CN(CCO)Cc2c(O1)c(cc(Cl)c2C#N)C(C)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(C3CC(C3)NC(C)=O)C(=O)C(C)Oc12)n1nc(C)c2c(N)ncnc12 |(2.78,-2.66,;1.44,-3.43,;.11,-2.66,;-1.22,-3.43,;-2.56,-2.66,;-3.89,-3.43,;-2.56,-1.12,;-3.89,-.35,;-1.22,-.35,;-1.45,1.17,;-.41,2.3,;-.81,3.79,;-.04,5.12,;-1.37,5.89,;-2.14,4.56,;-1.77,7.38,;-.68,8.47,;.81,8.07,;-1.08,9.95,;1.13,2.18,;1.9,3.52,;2,.91,;3.52,1.14,;1.54,-.56,;.11,-1.12,;1.44,-4.97,;.2,-5.88,;.67,-7.34,;-.1,-8.68,;2.21,-7.34,;3.24,-8.49,;2.77,-9.95,;4.75,-8.17,;5.23,-6.7,;4.2,-5.56,;2.69,-5.88,)|
CC(c1cc(Cl)c(F)c2CN(CCOc12)C1CN(C1)C(=O)N(C)C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(F)c2CN(CCOc12)C1CN(C1)S(=O)(=O)N(C)C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12
CCC(=O)N1CC(C1)N1CC(C)Oc2c(cc(Cl)c(F)c2C1)C(C)n1nc(C)c2c(N)ncnc12
C[C@@H](O)CN1CC(C)Oc2c(cc(Cl)c(F)c2C1)C(C)n1nc(C)c2c(N)ncnc12
C[C@H](O)CN1CC(C)Oc2c(cc(Cl)c(F)c2C1)C(C)n1nc(C)c2c(N)ncnc12
COC(=O)N1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(F)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COC(=O)N1CC(C1)N1C[C@@H](C)Oc2c(cc(Cl)c(F)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CN(C1)S(N)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CN(C1)S(N)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CN(C1)C(N)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CN(C1)C(N)=O)n1nc(C)c2c(N)ncnc12 |r|
C[C@H](O)CN1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(F)c2C1)[C@H](C)n1nc(C)c2c(N)ncnc12
C[C@@H](O)CN1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(F)c2C1)[C@H](C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CN(CC(N)=O)C1)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CN(CC(N)=O)C1)n1nc(C)c2c(N)ncnc12
CCC(=O)N1CC(C1)N1CCOc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C#N)c2CN(CCOc12)C1CN(C1)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12
CC(C)NC(=O)N1CC(C1)N1CCOc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12
CCOC(=O)N1CC(C1)N1CCOc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CN(C1)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(C1)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12 |r|
CCC(=O)N1CC(C1)N1C[C@@H](C)Oc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCC(=O)N1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCNC(=O)N1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCNC(=O)N1CC(C1)N1C[C@@H](C)Oc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOC(=O)N1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOC(=O)N1CC(C1)N1C[C@@H](C)Oc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CC(C)NC(=O)N1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CC(C)NC(=O)N1CC(C1)N1C[C@@H](C)Oc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@H](C)Oc12)C1CN(C1)S(=O)(=O)N(C)C)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(C[C@@H](C)Oc12)C1CN(C1)S(=O)(=O)N(C)C)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(CC#N)C[C@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(CC#N)C[C@@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(CC(N)=O)C[C@@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
COCCN1C[C@H](C)Oc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COCCN1C[C@@H](C)Oc2c(cc(Cl)c(C#N)c2C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CNC(=O)C1CC(C1)N1C[C@@H](C)Oc2c(cc(Cl)c(C#N)c2C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r,wD:10.11,23.26,(-8.05,6.56,;-7.09,5.36,;-5.57,5.59,;-5.01,7.02,;-4.61,4.38,;-3.08,4.21,;-3.25,2.68,;-4.78,2.85,;-2.29,1.48,;-2.96,.09,;-2.29,-1.3,;-3.25,-2.5,;-.79,-1.64,;.41,-.68,;1.75,-1.45,;3.08,-.68,;3.08,.86,;4.41,1.63,;1.75,1.63,;1.75,3.17,;1.75,4.71,;.41,.86,;-.79,1.82,;1.75,-2.99,;.41,-3.76,;3.08,-3.76,;3.24,-5.29,;4.75,-5.61,;5.37,-7.02,;5.52,-4.28,;7.02,-3.96,;8.05,-5.1,;7.5,-2.49,;6.47,-1.35,;4.96,-1.67,;4.49,-3.14,)|
CNC(=O)C1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(C#N)c2C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r,wU:10.11,wD:23.26,(-8.05,6.56,;-7.09,5.36,;-5.57,5.59,;-5.01,7.02,;-4.61,4.38,;-3.08,4.21,;-3.25,2.68,;-4.78,2.85,;-2.29,1.48,;-2.96,.09,;-2.29,-1.3,;-3.25,-2.5,;-.79,-1.64,;.41,-.68,;1.75,-1.45,;3.08,-.68,;3.08,.86,;4.41,1.63,;1.75,1.63,;1.75,3.17,;1.75,4.71,;.41,.86,;-.79,1.82,;1.75,-2.99,;.41,-3.76,;3.08,-3.76,;3.24,-5.29,;4.75,-5.61,;5.37,-7.02,;5.52,-4.28,;7.02,-3.96,;8.05,-5.1,;7.5,-2.49,;6.47,-1.35,;4.96,-1.67,;4.49,-3.14,)|
CNC(=O)C1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(C#N)c2C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r,wU:10.11,23.26,(-8.05,6.56,;-7.09,5.36,;-5.57,5.59,;-5.01,7.02,;-4.61,4.38,;-3.08,4.21,;-3.25,2.68,;-4.78,2.85,;-2.29,1.48,;-2.96,.09,;-2.29,-1.3,;-3.25,-2.5,;-.79,-1.64,;.41,-.68,;1.75,-1.45,;3.08,-.68,;3.08,.86,;4.41,1.63,;1.75,1.63,;1.75,3.17,;1.75,4.71,;.41,.86,;-.79,1.82,;1.75,-2.99,;.41,-3.76,;3.08,-3.76,;3.24,-5.29,;4.75,-5.61,;5.37,-7.02,;5.52,-4.28,;7.02,-3.96,;8.05,-5.1,;7.5,-2.49,;6.47,-1.35,;4.96,-1.67,;4.49,-3.14,)|
COc1c(cc(Cl)c(C)c1-c1ccc(NCCO)nc1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccc(OCCO)nc1)C(C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c(-c2ccc(nc2)C(=O)N(C)C)c1OCC(F)F)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CC1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)(C)C(=O)OC(C)(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(N)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1[C@H]1CNC(=O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1[C@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@H]1CNC(=O)O1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)O1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)O1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C[C@H](C)O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C[C@@H](C)O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C[C@H](C)O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CN1CCN(CC1)C(=O)C\C=C/c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
CC(c1cc(Cl)c(C)c2CN(CCOc12)C1CN(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CN(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CN(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(C[C@@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(C[C@H](C)Oc12)C1CN(C1)C(C)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(F)c2CN(CCOc12)S(C)(=O)=O)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C#N)c2CN(CC(C)Oc12)C1CN(CC(C)(C)O)C1)n1nc(C)c2c(N)ncnc12
CCC1CN(CCO)Cc2c(O1)c(cc(Cl)c2C#N)C(C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(F)c2CN(C3CN(C3)C(C)=O)C(=O)C(C)Oc12)n1nc(C)c2c(N)ncnc12
C[C@@H](O)CN1CC(C)Oc2c(cc(Cl)c(F)c2C1)[C@H](C)n1nc(C)c2c(N)ncnc12
C[C@@H](O)CN1CC(C)Oc2c(cc(Cl)c(F)c2C1)[C@@H](C)n1nc(C)c2c(N)ncnc12
C[C@@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(N)=O)n1nc(C)c2c(N)ncnc12 |r|
CC(c1cc(Cl)c(C#N)c2CN(CC#N)CC(C)Oc12)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C#N)c2CN(CC(N)=O)C[C@H](C)Oc12)n1nc(C)c2c(N)ncnc12 |r|
CCNC(=O)C1CC(C1)N1C[C@@H](C)Oc2c(cc(Cl)c(C#N)c2C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r,wU:11.12,24.27,(13.48,9.95,;14.04,8.52,;13.08,7.31,;11.56,7.54,;11,8.97,;10.6,6.34,;10.77,4.81,;9.24,4.63,;9.07,6.16,;8.28,3.43,;8.95,2.04,;8.28,.65,;9.24,-.55,;6.78,.31,;5.57,1.27,;4.24,.5,;2.91,1.27,;2.91,2.81,;1.57,3.58,;4.24,3.58,;4.24,5.12,;4.24,6.66,;5.57,2.81,;6.78,3.77,;4.24,-1.04,;5.57,-1.81,;2.91,-1.81,;2.75,-3.34,;1.24,-3.66,;.61,-5.07,;.47,-2.33,;-1.04,-2.01,;-2.07,-3.15,;-1.51,-.54,;-.48,.6,;1.02,.28,;1.5,-1.18,)|
CCNC(=O)C1CC(C1)N1C[C@@H](C)Oc2c(cc(Cl)c(C#N)c2C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r,wU:11.12,wD:24.27,(13.48,9.95,;14.04,8.52,;13.08,7.31,;11.56,7.54,;11,8.97,;10.6,6.34,;10.77,4.81,;9.24,4.63,;9.07,6.16,;8.28,3.43,;8.95,2.04,;8.28,.65,;9.24,-.55,;6.78,.31,;5.57,1.27,;4.24,.5,;2.91,1.27,;2.91,2.81,;1.57,3.58,;4.24,3.58,;4.24,5.12,;4.24,6.66,;5.57,2.81,;6.78,3.77,;4.24,-1.04,;5.57,-1.81,;2.91,-1.81,;2.75,-3.34,;1.24,-3.66,;.61,-5.07,;.47,-2.33,;-1.04,-2.01,;-2.07,-3.15,;-1.51,-.54,;-.48,.6,;1.02,.28,;1.5,-1.18,)|
CCNC(=O)C1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(C#N)c2C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r,wU:24.27,wD:11.12,(13.48,9.95,;14.04,8.52,;13.08,7.31,;11.56,7.54,;11,8.97,;10.6,6.34,;10.77,4.81,;9.24,4.63,;9.07,6.16,;8.28,3.43,;8.95,2.04,;8.28,.65,;9.24,-.55,;6.78,.31,;5.57,1.27,;4.24,.5,;2.91,1.27,;2.91,2.81,;1.57,3.58,;4.24,3.58,;4.24,5.12,;4.24,6.66,;5.57,2.81,;6.78,3.77,;4.24,-1.04,;5.57,-1.81,;2.91,-1.81,;2.75,-3.34,;1.24,-3.66,;.61,-5.07,;.47,-2.33,;-1.04,-2.01,;-2.07,-3.15,;-1.51,-.54,;-.48,.6,;1.02,.28,;1.5,-1.18,)|
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C13CCC(O)(CC1)C3)c(=O)n2C
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CCC(O)(CC1)C4)c(=O)n3C)OCO2
Cc1cc2nsnc2cc1Nc1ncc2c(n1)n(C13CCC(O)(CC1)C3)c(=O)n2C
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C13CCC(O)(CC1)C3)c(=O)n2C
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CCC(O)(CC1)C4)c(=O)n3C)OCCO2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cn6ncnc6cc5C)nc43)(CC1)C2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc6c(cc5C)OCO6)nc43)(CC1)C2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc6nsnc6cc5C)nc43)(CC1)C2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc6nccnc6cc5C)nc43)(CC1)C2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc6c(cc5C)OCCO6)nc43)(CC1)C2
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C13CC(F)(C1)C3)c(=O)n2C
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C13CC(F)(C1)C3)c(=O)n2C
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CC(F)(C1)C4)c(=O)n3C)OCO2
Cc1cc2nsnc2cc1Nc1ncc2c(n1)n(C13CC(F)(C1)C3)c(=O)n2C
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C13CC(F)(C1)C3)c(=O)n2C
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CC(F)(C1)C4)c(=O)n3C)OCCO2
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CC(C#N)(C1)C4)c(=O)n3C)OCO2
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C13CC(C(F)(F)F)(C1)C3)c(=O)n2C
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CC(C(F)(F)F)(C1)C4)c(=O)n3C)OCO2
COCC12CC(n3c(=O)n(C)c4cnc(Nc5cn6ncnc6cc5C)nc43)(C1)C2
COCC12CC(n3c(=O)n(C)c4cnc(Nc5cc6c(cc5C)OCO6)nc43)(C1)C2
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C13CC(CC#N)(C1)C3)c(=O)n2C
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CC(CC#N)(C1)C4)c(=O)n3C)OCO2
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CCC(C#N)(CC1)CC4)c(=O)n3C)OCO2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cn6ncnc6cc5C)nc43)(CC1)CC2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc6c(cc5C)OCO6)nc43)(CC1)CC2
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CCC(O)(CC1)CC4)c(=O)n3C)OCO2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc6c(cc5C)OCO6)nc43)(C1)C2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cn6ncnc6cc5C)nc43)(C1)C2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc6nsnc6cc5C)nc43)(C1)C2
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C13CCC(O)(CC1)C3)c(=S)n2C
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CCC(O)(CC1)C4)c(=S)n3C)OCO2
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C13CCC(O)(CC1)C3)c(=S)n2C
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C13CC(F)(C1)C3)c(=S)n2C
Cc1cc2c(cc1Nc1ncc3c(n1)n(C14CC(F)(C1)C4)c(=S)n3C)OCO2
Cc1cc(-c2cnco2)c(F)cc1Nc1ncc2c(n1)n(C13CCC(O)(CC1)C3)c(=O)n2C
Cc1cc(-c2cnn(C)c2)c(F)cc1Nc1ncc2c(n1)n(C13CCC(O)(CC1)C3)c(=O)n2C
Cc1cc(-c2cnn(C)c2)c(F)cc1Nc1ncc2c(n1)n(C13CC(F)(C1)C3)c(=O)n2C
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc(F)c(-c6cnn(C)c6)cc5C)nc43)(C1)C2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc(F)c(C(N)=O)cc5C)nc43)(C1)C2
COC12CCC(n3c(=O)n(C)c4cnc(Nc5cc(F)c(-c6cnco6)cc5C)nc43)(C1)C2
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CC3CCC1CC3)c(=O)n2C
Cc1cc2c(cc1Nc1ncc3c(n1)n(C1CC4CCC1CC4)c(=O)n3C)OCO2
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@H]1C[C@@H]3CC[C@H]1C3)c(=O)n2C
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1C[C@@H]3CC[C@H]1C3)c(=O)n2C
Cc1cc2c(cc1Nc1ncc3c(n1)n([C@H]1C[C@@H]4CC[C@H]1C4)c(=O)n3C)OCO2
Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C34CC(C3)C4)c2n1
Cc1cc2c(cc1Nc1ncc3c(C)nn(C45CC(C4)C5)c3n1)OCO2
Cc1cc2nccnc2cc1Nc1ncc2c(C)nn(C34CC(C3)C4)c2n1
Cc1cc2nsnc2cc1Nc1ncc2c(C)nn(C34CC(C3)C4)c2n1
CC(c1nc2cccc(C)n2c(=O)c1-c1ccccc1)n1cnc2c(N)ncnc12
CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccccc1
CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cncc(F)c1
CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(F)c1
CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cc(F)cc(F)c1
CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccnc1F |(4,.45,;2.67,1.22,;1.33,.45,;1.33,-1.09,;2.67,-1.86,;4,-1.09,;5.33,-1.86,;5.33,-3.4,;4,-4.17,;3.68,-5.68,;2.15,-5.84,;1.52,-4.43,;2.67,-3.4,;,1.22,;-1.33,.45,;-2.67,1.22,;-4,.45,;-5.33,1.22,;-5.33,2.76,;-4,3.53,;-4,5.07,;-2.67,2.76,;-1.33,3.53,;-1.33,5.07,;,2.76,;1.33,3.53,;2.67,2.76,;4,3.53,;4,5.07,;2.67,5.84,;1.33,5.07,;,5.84,)|
CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cn[nH]c1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccc1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccc1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cc(F)cc(F)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cc(F)cc(F)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccn1
CC(Nc1ncnc2[nH]ccc12)c1nc2scc(C)n2c(=O)c1-c1cc(F)cc(F)c1
CC(Nc1nc(F)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cc(F)cc(F)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccncc1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1nccs1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cscn1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccc(F)cc1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2sccn2c(=O)c1-c1cc(F)cc(F)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2sccn2c(=O)c1-c1cc(F)cc(F)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2sccn2c(=O)c1-c1cccc(F)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2sccn2c(=O)c1-c1ccccc1
CC(Nc1ncnc2[nH]cnc12)c1nc2sccn2c(=O)c1-c1cccc(F)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2sccn2c(=O)c1-c1ccccc1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccc(C)cc1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(Cl)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccc1F |(2.46,1.28,;1.13,.51,;1.13,-1.03,;2.46,-1.8,;3.8,-1.03,;5.13,-1.8,;6.47,-1.03,;5.13,-3.34,;3.8,-4.11,;3.48,-5.62,;1.95,-5.78,;1.32,-4.38,;2.46,-3.34,;-.2,1.28,;-1.54,.51,;-2.87,1.28,;-4.33,.8,;-5.24,2.05,;-4.33,3.29,;-5.1,4.62,;-2.87,2.82,;-1.54,3.59,;-1.54,5.13,;-.2,2.82,;1.13,3.59,;2.46,2.82,;3.8,3.59,;3.8,5.13,;2.46,5.9,;1.13,5.13,;-.2,5.9,)|
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1F |(2.46,.51,;1.13,-.26,;1.13,-1.8,;2.46,-2.57,;3.8,-1.8,;5.13,-2.57,;6.47,-1.8,;5.13,-4.11,;3.8,-4.88,;3.48,-6.39,;1.95,-6.55,;1.32,-5.15,;2.46,-4.11,;-.2,.51,;-1.54,-.26,;-2.87,.51,;-4.33,.03,;-5.24,1.28,;-4.33,2.52,;-5.1,3.85,;-2.87,2.05,;-1.54,2.82,;-1.54,4.36,;-.2,2.05,;1.13,2.82,;2.46,2.05,;3.8,2.82,;3.8,4.36,;2.46,5.13,;2.46,6.67,;1.13,4.36,;-.2,5.13,)|
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cc(F)cc(Cl)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(Cl)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cc(F)cc(Cl)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cncc(F)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccc1Cl |(2.3,1.28,;.96,.51,;.96,-1.03,;2.3,-1.8,;3.63,-1.03,;4.96,-1.8,;6.3,-1.03,;4.96,-3.34,;3.63,-4.11,;3.31,-5.62,;1.78,-5.78,;1.15,-4.38,;2.3,-3.34,;-.37,1.28,;-1.7,.51,;-3.04,1.28,;-4.5,.8,;-5.41,2.05,;-4.5,3.29,;-5.27,4.62,;-3.04,2.82,;-1.7,3.59,;-1.7,5.13,;-.37,2.82,;.96,3.59,;2.3,2.82,;3.63,3.59,;3.63,5.13,;2.3,5.9,;.96,5.13,;-.37,5.9,)|
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccc1F |(2.96,1.28,;1.63,.51,;1.63,-1.03,;2.96,-1.8,;4.3,-1.03,;5.63,-1.8,;5.63,-3.34,;4.3,-4.11,;3.98,-5.62,;2.44,-5.78,;1.82,-4.38,;2.96,-3.34,;.3,1.28,;-1.04,.51,;-2.37,1.28,;-3.84,.8,;-4.74,2.05,;-3.84,3.29,;-4.61,4.62,;-2.37,2.82,;-1.04,3.59,;-1.04,5.13,;.3,2.82,;1.63,3.59,;2.96,2.82,;4.3,3.59,;4.3,5.13,;2.96,5.9,;1.63,5.13,;.3,5.9,)|
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1F |(3.07,.45,;1.73,-.32,;1.73,-1.86,;3.07,-2.63,;4.4,-1.86,;5.74,-2.63,;5.74,-4.17,;4.4,-4.94,;4.08,-6.45,;2.55,-6.61,;1.92,-5.2,;3.07,-4.17,;.4,.45,;-.93,-.32,;-2.27,.45,;-3.73,-.03,;-4.64,1.22,;-3.73,2.46,;-4.5,3.8,;-2.27,1.99,;-.93,2.76,;-.93,4.3,;.4,1.99,;1.73,2.76,;3.07,1.99,;4.4,2.76,;4.4,4.3,;3.07,5.07,;3.07,6.61,;1.73,4.3,;.4,5.07,)|
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cncc(F)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccc1Cl |(3.07,1.22,;1.73,.45,;1.73,-1.09,;3.07,-1.86,;4.4,-1.09,;5.74,-1.86,;5.74,-3.4,;4.4,-4.17,;4.08,-5.68,;2.55,-5.84,;1.92,-4.43,;3.07,-3.4,;.4,1.22,;-.93,.45,;-2.27,1.22,;-3.73,.74,;-4.64,1.99,;-3.73,3.23,;-4.5,4.57,;-2.27,2.76,;-.93,3.53,;-.93,5.07,;.4,2.76,;1.73,3.53,;3.07,2.76,;4.4,3.53,;4.4,5.07,;3.07,5.84,;1.73,5.07,;.4,5.84,)|
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cc(F)ccc1F |(3.07,1.22,;1.73,.45,;1.73,-1.09,;3.07,-1.86,;4.4,-1.09,;5.74,-1.86,;5.74,-3.4,;4.4,-4.17,;4.08,-5.68,;2.55,-5.84,;1.92,-4.43,;3.07,-3.4,;.4,1.22,;-.93,.45,;-2.27,1.22,;-3.73,.74,;-4.64,1.99,;-3.73,3.23,;-4.5,4.57,;-2.27,2.76,;-.93,3.53,;-.93,5.07,;.4,2.76,;1.73,3.53,;3.07,2.76,;4.4,3.53,;5.74,2.76,;4.4,5.07,;3.07,5.84,;1.73,5.07,;.4,5.84,)|
C[C@H](Nc1ccnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1 |r|
C[C@H](Nc1nc(O)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1 |r|
CC(Nc1ncnc2[nH]cnc12)c1nc2scc(n2c(=O)c1-c1cccc(F)c1)C(F)(F)F
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccccc1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccccc1
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(C)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(C)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(Cl)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(Cl)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccc(Cl)cc1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccc(Cl)cc1
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccccc1Cl |(2.67,1.22,;1.33,.45,;1.33,-1.09,;2.67,-1.86,;4,-1.09,;5.33,-1.86,;5.33,-3.4,;4,-4.17,;3.68,-5.68,;2.15,-5.84,;1.52,-4.43,;2.67,-3.4,;,1.22,;-1.33,.45,;-2.67,1.22,;-4,.45,;-5.33,1.22,;-5.33,2.76,;-4,3.53,;-4,5.07,;-2.67,2.76,;-1.33,3.53,;-1.33,5.07,;,2.76,;1.33,3.53,;2.67,2.76,;4,3.53,;4,5.07,;2.67,5.84,;1.33,5.07,;,5.84,)|
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccccc1Cl |(2,1.22,;.67,.45,;.67,-1.09,;2,-1.86,;3.33,-1.09,;4.67,-1.86,;6,-1.09,;4.67,-3.4,;3.33,-4.17,;3.01,-5.68,;1.48,-5.84,;.86,-4.43,;2,-3.4,;-.67,1.22,;-2,.45,;-3.33,1.22,;-4.67,.45,;-6,1.22,;-6,2.76,;-4.67,3.53,;-4.67,5.07,;-3.33,2.76,;-2,3.53,;-2,5.07,;-.67,2.76,;.67,3.53,;2,2.76,;3.33,3.53,;3.33,5.07,;2,5.84,;.67,5.07,;-.67,5.84,)|
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccccc1F |(2.67,1.22,;1.33,.45,;1.33,-1.09,;2.67,-1.86,;4,-1.09,;5.33,-1.86,;5.33,-3.4,;4,-4.17,;3.68,-5.68,;2.15,-5.84,;1.52,-4.43,;2.67,-3.4,;,1.22,;-1.33,.45,;-2.67,1.22,;-4,.45,;-5.33,1.22,;-5.33,2.76,;-4,3.53,;-4,5.07,;-2.67,2.76,;-1.33,3.53,;-1.33,5.07,;,2.76,;1.33,3.53,;2.67,2.76,;4,3.53,;4,5.07,;2.67,5.84,;1.33,5.07,;,5.84,)|
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccccc1F |(2,1.22,;.67,.45,;.67,-1.09,;2,-1.86,;3.33,-1.09,;4.67,-1.86,;6,-1.09,;4.67,-3.4,;3.33,-4.17,;3.01,-5.68,;1.48,-5.84,;.86,-4.43,;2,-3.4,;-.67,1.22,;-2,.45,;-3.33,1.22,;-4.67,.45,;-6,1.22,;-6,2.76,;-4.67,3.53,;-4.67,5.07,;-3.33,2.76,;-2,3.53,;-2,5.07,;-.67,2.76,;.67,3.53,;2,2.76,;3.33,3.53,;3.33,5.07,;2,5.84,;.67,5.07,;-.67,5.84,)|
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccc(cc1)C#N
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccc(cc1)C#N
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccccc1C |(2.67,1.22,;1.33,.45,;1.33,-1.09,;2.67,-1.86,;4,-1.09,;5.33,-1.86,;5.33,-3.4,;4,-4.17,;3.68,-5.68,;2.15,-5.84,;1.52,-4.43,;2.67,-3.4,;,1.22,;-1.33,.45,;-2.67,1.22,;-4,.45,;-5.33,1.22,;-5.33,2.76,;-4,3.53,;-4,5.07,;-2.67,2.76,;-1.33,3.53,;-1.33,5.07,;,2.76,;1.33,3.53,;2.67,2.76,;4,3.53,;4,5.07,;2.67,5.84,;1.33,5.07,;,5.84,)|
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccc(C)cc1
COc1cccc(c1)-c1c(nc2cccc(C)n2c1=O)C(C)Nc1ncnc2[nH]cnc12
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(F)c1F |(2.67,.45,;1.33,-.32,;1.33,-1.86,;2.67,-2.63,;4,-1.86,;5.33,-2.63,;5.33,-4.17,;4,-4.94,;3.68,-6.45,;2.15,-6.61,;1.52,-5.2,;2.67,-4.17,;,.45,;-1.33,-.32,;-2.67,.45,;-4,-.32,;-5.33,.45,;-5.33,1.99,;-4,2.76,;-4,4.3,;-2.67,1.99,;-1.33,2.76,;-1.33,4.3,;,1.99,;1.33,2.76,;2.67,1.99,;4,2.76,;4,4.3,;2.67,5.07,;2.67,6.61,;1.33,4.3,;,5.07,)|
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cc(F)ccc1F |(2.67,1.22,;1.33,.45,;1.33,-1.09,;2.67,-1.86,;4,-1.09,;5.33,-1.86,;5.33,-3.4,;4,-4.17,;3.68,-5.68,;2.15,-5.84,;1.52,-4.43,;2.67,-3.4,;,1.22,;-1.33,.45,;-2.67,1.22,;-4,.45,;-5.33,1.22,;-5.33,2.76,;-4,3.53,;-4,5.07,;-2.67,2.76,;-1.33,3.53,;-1.33,5.07,;,2.76,;1.33,3.53,;2.67,2.76,;4,3.53,;5.33,2.76,;4,5.07,;2.67,5.84,;1.33,5.07,;,5.84,)|
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1ccc(F)c(F)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cc(F)cc(F)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(F)c1
C[C@@H](Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(F)c1 |r|
C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(F)c1 |r|
CCc1cccc2nc(C(C)Nc3ncnc4[nH]cnc34)c(-c3cc(F)cc(F)c3)c(=O)n12
CCc1cccc2nc(C(C)Nc3nc(N)nc4[nH]cnc34)c(-c3cc(F)cc(F)c3)c(=O)n12
CCc1cccc2nc(C(C)Nc3ncnc4[nH]cnc34)c(-c3ccc(F)cc3)c(=O)n12
CC(Nc1ncnc2[nH]cnc12)c1nc2ccccn2c(=O)c1-c1cc(F)cc(F)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2ccccn2c(=O)c1-c1cc(F)cc(F)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cnc(Cl)c(C)c1
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cnc(Cl)c(C)c1
CC(Nc1ncnc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(c1)C#N
CC(Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)n2c(=O)c1-c1cccc(c1)C#N
Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)CC(=O)N2C
Cc1cc2c(cc1Nc1ncc3c(n1)N(C14CCC(O)(CC1)C4)CC(=O)N3C)OCO2
Cc1cc2ncccc2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)CC(=O)N2C
Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C13CC(F)(C1)C3)CC(=O)N2C
Cc1cc2nsnc2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)CC(=O)N2C
Cc1cc2c(cc1Nc1ncc3c(n1)N(C14CC(F)(C1)C4)CC(=O)N3C)OCO2
Cc1cc2ncccc2cc1Nc1ncc2c(n1)N(C13CC(F)(C1)C3)CC(=O)N2C
Cc1cc2nccnc2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)CC(=O)N2C
Cc1cc2nonc2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)CC(=O)N2C
Cc1cc2nnccc2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)CC(=O)N2C
COC12CCC(N3CC(=O)N(C)c4cnc(Nc5cn6ncnc6cc5C)nc43)(CC1)C2
COC12CCC(N3CC(=O)N(C)c4cnc(Nc5cc6c(cc5C)OCO6)nc43)(CC1)C2
COC12CCC(N3CC(=O)N(C)c4cnc(Nc5cc6nsnc6cc5C)nc43)(CC1)C2
COC12CCC(N3CC(=O)N(C)c4cnc(Nc5cc6cccnc6cc5C)nc43)(CC1)C2
Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)C(=O)C21CC1
Cc1cc2nccnc2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)C(=O)C21CC1
Cc1cc2c(cc1Nc1ncc3c(n1)N(C14CCC(O)(CC1)C4)C(=O)C31CC1)OCO2
Cc1cc2nsnc2cc1Nc1ncc2c(n1)N(C13CCC(O)(CC1)C3)C(=O)C21CC1
Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C13CC(F)(C1)C3)C(=O)C21CC1
Cc1cc2ncccc2cc1Nc1ncc2c(n1)N(C13CC(F)(C1)C3)C(=O)C21CC1
Cc1cc2nccnc2cc1Nc1ncc2c(n1)N(C13CC(F)(C1)C3)C(=O)C21CC1
Cc1cc2nsnc2cc1Nc1ncc2c(n1)N(C13CC(F)(C1)C3)C(=O)C21CC1
Cc1cc(-c2cnco2)ncc1Nc1ncc2c(n1)N(C13CC(F)(C1)C3)C(=O)C21CC1
Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)N(C13CC(F)(C1)C3)C(=O)C21CC1
Cc1cc2c(cc1Nc1ncc3c(n1)N(C14CC(F)(C1)C4)C(=O)C31CC1)OCO2
[2H]C([2H])([2H])n1c(=O)n(C23CCC(O)(CC2)C3)c2nc(Nc3cn4ncnc4cc3C)ncc21
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C13CCC(O)(CC1)CC3)c(=O)n2C
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccn[nH]3)c2c(=O)n1-c1ccccc1 |r|
CC#Cc1cccc2cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(nc12)-c1ccccc1 |w:12.11|
C[C@H](Nc1ncnc2[nH]ccc12)c1nc2scc(C)n2c(=O)c1-c1cc(F)cc(F)c1 |r|
C[C@@H](Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccc1Cl |r,wU:1.0,(2.57,1.21,;1.24,.45,;1.24,-1.09,;2.57,-1.86,;3.9,-1.09,;5.24,-1.86,;6.57,-1.09,;5.24,-3.4,;3.9,-4.17,;3.58,-5.68,;2.05,-5.84,;1.43,-4.43,;2.57,-3.4,;-.1,1.22,;-1.43,.45,;-2.76,1.22,;-4.23,.74,;-5.13,1.99,;-4.23,3.23,;-4.63,4.72,;-2.76,2.76,;-1.43,3.53,;-1.43,5.06,;-.1,2.76,;1.24,3.53,;2.57,2.76,;3.9,3.53,;3.9,5.07,;2.57,5.84,;1.24,5.07,;-.1,5.84,)|
C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccc1Cl |r,wD:1.0,(2.57,1.21,;1.24,.45,;1.24,-1.09,;2.57,-1.86,;3.9,-1.09,;5.24,-1.86,;6.57,-1.09,;5.24,-3.4,;3.9,-4.17,;3.58,-5.68,;2.05,-5.84,;1.43,-4.43,;2.57,-3.4,;-.1,1.22,;-1.43,.45,;-2.76,1.22,;-4.23,.74,;-5.13,1.99,;-4.23,3.23,;-4.63,4.72,;-2.76,2.76,;-1.43,3.53,;-1.43,5.06,;-.1,2.76,;1.24,3.53,;2.57,2.76,;3.9,3.53,;3.9,5.07,;2.57,5.84,;1.24,5.07,;-.1,5.84,)|
C[C@@H](Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccc1Cl |r,wU:1.0,(3.23,1.21,;1.9,.45,;1.9,-1.09,;3.24,-1.86,;4.57,-1.09,;5.91,-1.86,;5.91,-3.4,;4.57,-4.17,;4.25,-5.68,;2.72,-5.84,;2.09,-4.43,;3.24,-3.4,;.57,1.22,;-.76,.45,;-2.1,1.22,;-3.56,.74,;-4.47,1.99,;-3.56,3.23,;-3.96,4.72,;-2.1,2.76,;-.76,3.53,;-.76,5.06,;.57,2.76,;1.9,3.53,;3.24,2.76,;4.57,3.53,;4.57,5.07,;3.24,5.84,;1.9,5.07,;.57,5.84,)|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1ccccc1Cl |r,wD:1.0,(3.23,1.21,;1.9,.45,;1.9,-1.09,;3.24,-1.86,;4.57,-1.09,;5.91,-1.86,;5.91,-3.4,;4.57,-4.17,;4.25,-5.68,;2.72,-5.84,;2.09,-4.43,;3.24,-3.4,;.57,1.22,;-.76,.45,;-2.1,1.22,;-3.56,.74,;-4.47,1.99,;-3.56,3.23,;-3.96,4.72,;-2.1,2.76,;-.76,3.53,;-.76,5.06,;.57,2.76,;1.9,3.53,;3.24,2.76,;4.57,3.53,;4.57,5.07,;3.24,5.84,;1.9,5.07,;.57,5.84,)|
COc1c(cc(Cl)c(C)c1-c1cnn(CCO)c1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1-c1cnn(CCO)c1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)[C@@H](C)n1ccc(=O)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)[C@H](C)n1ccc(=O)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1-c1ccc(cc1)C(=O)N(C)C)C(C)n1ccc(=O)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C(C)n1nc(C)c2c(N)ncnc12)C1CN(CC(O)C(F)(F)F)C1
COc1c(cc(Cl)c(C)c1C1CN(CC#N)C1)C(C)n1nc(C2CNN=C2)c2c(N)ncnc12 |c:27|
COc1c(cc(Cl)c(C)c1C1CN(C1)C(C)C)[C@H](C)n1nc(C(F)F)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CN(C1)C(C)C)[C@@H](C)n1nc(C(F)F)c2c(N)ncnc12 |r|
COc1c(cc(C#N)c(C)c1C1CN(C1)C(C)=O)C(C)n1nc(C(F)F)c2c(N)ncnc12
CCOc1c(cc(Cl)c(F)c1C(C)n1nc(C(F)F)c2c(N)ncnc12)C1CN(CC(C)(C)O)C1
COc1c(cc(Cl)c(C)c1-c1cncc(c1)C(=O)N(C)C1CC1)C(C)n1nc(C)c2c(N)ncnc12
CC(c1cc(Cl)c(C)c(-c2ccc(nc2)C(=O)N(C)C)c1OCC1CC1)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C(F)F)c2c(N)ncnc12
COc1c(CC#N)c(C)c(Cl)cc1C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(cn1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(C#N)c(C)c1-c1cnn(C)c1)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(C#N)c(C)c1-c1cnn(c1)C(C)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(CCOC)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)NC(C)(C)C)C(C)n1nc(C)c2c(N)ncnc12
[CH2][CH]N1CC(C1)c1c(Cl)c(Cl)cc(C(C)n2nc(C)c3c(N)ncnc23)c1OC |^1:0,1|
CCOc1c(cc(Cl)c(C)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1C1CNC(=O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1[C@@H]1CNC(=O)O1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1[C@@H]1CNC(=O)O1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1[C@H]1CNC(=O)O1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1[C@H]1CNC(=O)O1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CNC(=O)CO1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CNC(=O)CO1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1COC(=O)N1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1COC(=O)N1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C[C@@H](C)O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)OC1 |r|
C[C@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1 |r|
C[C@@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)cccn12)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:21.23,(-3.35,-4.29,;-3.03,-2.79,;-4.17,-1.76,;-3.85,-.25,;-2.39,.23,;-1.24,-.81,;-1.56,-2.31,;-.42,-3.34,;-.58,-4.87,;.83,-5.5,;1.86,-4.36,;3.4,-4.36,;4.17,-5.69,;4.17,-3.02,;3.4,-1.69,;1.86,-1.69,;1.09,-3.02,;-2.06,1.73,;-1.67,3.22,;-3.55,2.13,;-.58,1.33,;.51,2.42,;2,2.02,;3.09,3.11,;2.69,4.6,;3.78,5.69,;1.2,5,;.11,3.91,)|
CCS(=O)(=O)Nc1cc(cnc1F)-c1cnc2c(N)cccn12
Cc1ccc(cc1-c1cnc2c(N)cccn12)S(=O)(=O)NCC1(C)COC1
Cc1ccc(cc1-c1cnc2c(N)cc(Cl)cn12)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.28,wD:22.24,(-3.35,-4.29,;-3.03,-2.79,;-4.17,-1.76,;-3.85,-.25,;-2.39,.23,;-1.24,-.81,;-1.56,-2.31,;-.42,-3.34,;-.58,-4.87,;.83,-5.5,;1.86,-4.36,;3.4,-4.36,;4.17,-5.69,;4.17,-3.02,;3.4,-1.69,;4.17,-.35,;1.86,-1.69,;1.09,-3.02,;-2.06,1.73,;-1.67,3.22,;-3.55,2.13,;-.58,1.33,;.51,2.42,;2,2.02,;3.09,3.11,;2.69,4.6,;3.78,5.69,;1.2,5,;.11,3.91,)|
CC(=O)Nc1cc(Cl)cn2c(cnc12)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.27,wD:28.31,(5.86,-5.7,;4.83,-4.56,;5.3,-3.09,;3.32,-4.88,;2.29,-3.73,;2.77,-2.27,;1.74,-1.13,;2.21,.34,;.23,-1.45,;-.24,-2.91,;-1.65,-3.54,;-1.49,-5.07,;.02,-5.39,;.79,-4.05,;-2.99,-2.77,;-2.99,-1.23,;-4.32,-.46,;-5.65,-1.23,;-5.65,-2.77,;-4.32,-3.54,;-4.32,-5.08,;-4.32,1.08,;-5.86,1.08,;-2.78,1.08,;-4.32,2.62,;-2.99,3.39,;-2.99,4.93,;-1.65,5.7,;-.32,4.93,;1.02,5.7,;-.32,3.39,;-1.65,2.62,)|
CCS(=O)(=O)Nc1cc(c[nH]c1=O)-c1cnc2c(N)cc(Cl)cn12
CCOc1ncc(cc1NS(=O)(=O)CC)-c1cnc2c(N)cc(Cl)cn12
Cc1ccc(cc1-c1cnc2c(N)cc(cn12)-c1cnn(C)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:30.34,wD:27.30,(-4.98,-4.29,;-4.65,-2.79,;-5.8,-1.76,;-5.48,-.25,;-4.01,.23,;-2.87,-.81,;-3.19,-2.31,;-2.05,-3.34,;-2.21,-4.87,;-.8,-5.5,;.23,-4.36,;1.77,-4.36,;2.54,-5.69,;2.54,-3.02,;1.77,-1.69,;.23,-1.69,;-.54,-3.02,;2.54,-.35,;1.91,1.05,;3.06,2.08,;4.39,1.31,;5.8,1.94,;4.07,-.19,;-3.69,1.73,;-3.3,3.22,;-5.18,2.13,;-2.21,1.33,;-1.12,2.42,;.37,2.02,;1.46,3.11,;1.06,4.6,;2.15,5.69,;-.43,5,;-1.52,3.91,)|
Cc1ccc(cc1-c1cnc2c(N)cc(cn12)-c1cncnc1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:30.34,wD:27.30,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;5.33,1.54,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2c(N)cc(cn12)-c1ccnn1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:30.34,wD:27.30,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.16,3.84,;5.67,4.16,;6.44,2.83,;5.41,1.68,;5.73,.18,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2c(N)c(Cl)ccn12)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:22.24,wD:25.28,(-3.53,-5.23,;-3.53,-3.69,;-4.86,-2.92,;-4.86,-1.38,;-3.53,-.61,;-2.19,-1.38,;-2.19,-2.92,;-.86,-3.69,;-.7,-5.23,;.81,-5.55,;1.58,-4.21,;3.08,-3.89,;4.11,-5.04,;3.56,-2.43,;5.07,-2.11,;2.53,-1.28,;1.02,-1.6,;.55,-3.07,;-3.53,.93,;-1.99,.93,;-5.07,.93,;-3.53,2.47,;-2.19,3.24,;-2.19,4.78,;-.86,5.55,;.47,4.78,;1.81,5.55,;.47,3.24,;-.86,2.47,)|
Cc1ccc(cc1-c1cnc2c(N)c(ccn12)-c1cnn(C)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:30.34,(-5.12,-5.23,;-5.12,-3.69,;-6.45,-2.92,;-6.45,-1.38,;-5.12,-.61,;-3.79,-1.38,;-3.79,-2.92,;-2.45,-3.69,;-2.29,-5.23,;-.79,-5.55,;-.02,-4.21,;1.49,-3.89,;2.52,-5.04,;1.97,-2.43,;.94,-1.28,;-.57,-1.6,;-1.05,-3.07,;3.47,-2.11,;4.62,-3.14,;5.95,-2.37,;5.63,-.86,;6.66,.28,;4.1,-.7,;-5.12,.93,;-3.58,.93,;-6.66,.93,;-5.12,2.47,;-3.79,3.24,;-3.79,4.78,;-2.45,5.55,;-1.12,4.78,;.21,5.55,;-1.12,3.24,;-2.45,2.47,)|
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:21.23,(-3.05,-5.23,;-3.05,-3.69,;-4.38,-2.92,;-4.38,-1.38,;-3.05,-.61,;-1.72,-1.38,;-1.72,-2.92,;-.38,-3.69,;-.22,-5.23,;1.28,-5.55,;2.05,-4.21,;3.56,-3.89,;4.59,-5.04,;4.04,-2.43,;3.01,-1.28,;1.5,-1.6,;1.02,-3.07,;-3.05,.93,;-1.51,.93,;-4.59,.93,;-3.05,2.47,;-1.72,3.24,;-.38,2.47,;.95,3.24,;.95,4.78,;2.28,5.55,;-.38,5.55,;-1.72,4.78,)|
CCS(=O)(=O)Nc1cc(cnc1F)-c1cnc2c(N)nccn12
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)NCC1(C)COC1
Cc1ccc(cc1-c1cnc2c(N)nc(Br)cn12)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:22.24,wD:25.28,(-3.35,-4.3,;-3.03,-2.79,;-4.17,-1.76,;-3.85,-.25,;-2.39,.22,;-1.24,-.81,;-1.56,-2.32,;-.42,-3.35,;-.58,-4.88,;.83,-5.5,;1.86,-4.36,;3.4,-4.36,;4.17,-5.69,;4.17,-3.03,;3.4,-1.69,;4.17,-.36,;1.86,-1.69,;1.09,-3.03,;-2.06,1.73,;-3.57,2.05,;-.56,1.41,;-1.74,3.23,;-.28,3.71,;.04,5.22,;1.5,5.69,;2.65,4.66,;4.11,5.14,;2.33,3.16,;.86,2.68,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:28.31,wD:31.35,(-3.76,-5.23,;-3.76,-3.69,;-5.1,-2.92,;-5.1,-1.38,;-3.76,-.61,;-2.43,-1.38,;-2.43,-2.92,;-1.1,-3.69,;-.94,-5.23,;.57,-5.55,;1.34,-4.21,;2.85,-3.89,;3.88,-5.04,;3.32,-2.43,;2.29,-1.28,;.79,-1.6,;.31,-3.07,;2.77,.18,;1.74,1.33,;2.21,2.79,;3.72,3.11,;4.75,1.97,;4.27,.5,;5.3,-.64,;-3.76,.93,;-2.22,.93,;-5.3,.93,;-3.76,2.47,;-2.43,3.24,;-2.43,4.78,;-1.1,5.55,;.24,4.78,;1.57,5.55,;.24,3.24,;-1.1,2.47,)|
Cc1ccc(cc1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:28.31,(8,4.62,;6.67,3.85,;5.33,4.62,;4,3.85,;4,2.31,;5.33,1.54,;6.67,2.31,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1cccc(c1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:28.31,(5.33,6.16,;5.33,4.62,;6.67,3.85,;6.67,2.31,;5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccc(F)cc1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:28.31,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cccc(F)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:28.31,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;5.33,6.16,;4,3.85,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cn2cc(nc(N)c2n1)-c1ccccc1F)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:28.31,(-3.91,3.44,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-3.91,.77,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;;-1.46,-.48,;4,2.31,;5.33,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;4,3.85,;2.67,4.62,;-6.99,-1.9,;-8.32,-1.13,;-5.66,-2.67,;-7.76,-3.23,;-9.3,-3.23,;-10.07,-1.9,;-11.61,-1.9,;-12.38,-3.23,;-13.92,-3.23,;-11.61,-4.56,;-10.07,-4.56,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccccc1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:30.34,wD:27.30,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;5.33,1.54,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cn2cc(nc(N)c2n1)-c1ccc(cc1)C#N)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:32.36,wD:29.32,(-3.91,3.44,;-4.68,2.1,;-6.22,2.1,;-6.99,.77,;-6.22,-.56,;-4.68,-.56,;-3.91,.77,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;;-1.46,-.48,;4,2.31,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;5.33,1.54,;8,4.62,;9.34,5.39,;-6.99,-1.9,;-8.32,-1.13,;-5.66,-2.67,;-7.76,-3.23,;-9.3,-3.23,;-10.07,-1.9,;-11.61,-1.9,;-12.38,-3.23,;-13.92,-3.23,;-11.61,-4.56,;-10.07,-4.56,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccncc1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:30.34,wD:27.30,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;5.33,1.54,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cccnc1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:30.34,wD:27.30,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;4,3.85,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cccs1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:29.33,wD:26.29,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.41,1.68,;6.44,2.83,;5.67,4.16,;4.16,3.84,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnn1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:30.34,wD:27.30,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.16,3.84,;5.67,4.16,;6.44,2.83,;5.41,1.68,;5.73,.18,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cnn(C)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:30.34,wD:27.30,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.16,3.84,;5.67,4.16,;6.44,2.83,;7.97,2.67,;5.41,1.68,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
COc1cccc(c1F)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:33.37,wD:30.33,(6.67,6.93,;5.33,6.16,;5.33,4.62,;6.67,3.85,;6.67,2.31,;5.33,1.54,;4,2.31,;4,3.85,;2.67,4.62,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
CNC(=O)c1ccc(F)c(c1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:35.39,wD:32.35,(6.67,8.47,;6.67,6.93,;5.33,6.16,;4,6.93,;5.33,4.62,;6.67,3.85,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-4.48,2.66,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;.2,9.84,;1.23,10.99,;.75,12.45,;-.75,12.77,;-1.23,14.24,;-1.78,11.63,;-1.31,10.16,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccc(CO)cc1F)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:33.37,wD:30.33,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;6.67,3.85,;8,4.62,;9.34,3.85,;5.33,4.62,;4,3.85,;2.67,4.62,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2cnc(cn12)-c1cccc(c1)S(C)(=O)=O)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:33.37,wD:30.33,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;4,3.85,;5.33,6.16,;6.87,6.16,;5.33,7.7,;3.79,6.16,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
COc1cccc(F)c1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:33.37,wD:30.33,(4,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;4,3.85,;2.67,4.62,;4,2.31,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ncc(s1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)NC1CCC(O)CC1 |(7.97,2.67,;6.44,2.83,;5.67,4.16,;4.16,3.84,;4,2.31,;5.41,1.68,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-8.92,7.69,;-9.39,9.16,;-8.36,10.3,;-8.84,11.76,;-6.86,9.98,;-6.38,8.51,)|
CNc1nc(cn2c(cnc12)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1ccccc1F |r,wU:22.24,wD:25.28,(5.34,-4.72,;3.84,-5.04,;2.81,-3.89,;3.28,-2.43,;2.25,-1.28,;.75,-1.6,;.27,-3.07,;-1.14,-3.69,;-.98,-5.23,;.53,-5.55,;1.3,-4.21,;-2.47,-2.92,;-2.47,-1.38,;-3.8,-.61,;-5.14,-1.38,;-5.14,-2.92,;-3.8,-3.69,;-3.8,-5.23,;-3.8,.93,;-2.26,.93,;-5.34,.93,;-3.8,2.47,;-2.47,3.24,;-2.47,4.78,;-1.14,5.55,;.2,4.78,;1.53,5.55,;.2,3.24,;-1.14,2.47,;2.73,.18,;1.7,1.33,;2.17,2.79,;3.68,3.11,;4.71,1.97,;4.23,.5,;5.27,-.64,)|
Cc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.28,wD:22.24,(3.48,.18,;3.01,-1.28,;1.5,-1.6,;1.02,-3.07,;-.38,-3.69,;-.22,-5.23,;1.28,-5.55,;2.05,-4.21,;3.56,-3.89,;4.59,-5.04,;4.04,-2.43,;-1.72,-2.92,;-1.72,-1.38,;-3.05,-.61,;-4.38,-1.38,;-4.38,-2.92,;-3.05,-3.69,;-3.05,-5.23,;-3.05,.93,;-1.51,.93,;-4.59,.93,;-3.05,2.47,;-1.72,3.24,;-.38,2.47,;.95,3.24,;.95,4.78,;2.28,5.55,;-.38,5.55,;-1.72,4.78,)|
CCc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(4.79,.5,;3.28,.18,;2.81,-1.28,;1.3,-1.6,;.82,-3.07,;-.58,-3.69,;-.42,-5.23,;1.09,-5.55,;1.86,-4.21,;3.36,-3.89,;4.39,-5.04,;3.84,-2.43,;-1.92,-2.92,;-1.92,-1.38,;-3.25,-.61,;-4.58,-1.38,;-4.58,-2.92,;-3.25,-3.69,;-3.25,-5.23,;-3.25,.93,;-1.71,.93,;-4.79,.93,;-3.25,2.47,;-1.92,3.24,;-1.92,4.78,;-.58,5.55,;.75,4.78,;2.09,5.55,;.75,3.24,;-.58,2.47,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:21.23,(-3.05,-5.23,;-3.05,-3.69,;-4.38,-2.92,;-4.38,-1.38,;-3.05,-.61,;-1.72,-1.38,;-1.72,-2.92,;-.38,-3.69,;-.22,-5.23,;1.28,-5.55,;2.05,-4.21,;3.56,-3.89,;4.59,-5.04,;4.04,-2.43,;3.01,-1.28,;1.5,-1.6,;1.02,-3.07,;-3.05,.93,;-1.51,.93,;-4.59,.93,;-3.05,2.47,;-1.72,3.24,;-.38,2.47,;.95,3.24,;.95,4.78,;2.28,5.55,;-.38,5.55,;-1.72,4.78,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccccc1F)S(C)(=O)=O
Cc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1cnc2c(N)nccn12 |r,wU:14.15,wD:11.11,(-3.37,7.87,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-.91,4.63,;-1.39,6.09,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;2.18,8.06,;2.66,6.59,;4.16,6.27,;5.19,7.42,;6.7,7.1,;4.72,8.88,;3.21,9.2,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,)|
Nc1nccn2c(cnc12)-c1cc(ccc1F)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:21.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1cnc2c(N)nccn12 |r,wU:15.16,wD:12.12,(-2.34,9.02,;-3.37,7.87,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-.91,4.63,;-1.39,6.09,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;2.18,8.06,;2.66,6.59,;4.16,6.27,;5.19,7.42,;6.7,7.1,;4.72,8.88,;3.21,9.2,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,)|
Cc1cc(cc(c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1cnc2c(N)nccn12 |r,wU:14.15,wD:11.11,(-.36,7.23,;-1.39,6.09,;-.91,4.63,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,)|
Nc1nccn2c(cnc12)-c1ccc(F)c(c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:21.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-3.37,7.87,;-1.39,6.09,;-.91,4.63,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;2.18,8.06,;2.66,6.59,;4.16,6.27,;5.19,7.42,;6.7,7.1,;4.72,8.88,;3.21,9.2,)|
Nc1nccn2c(cnc12)-c1ccc(Cl)c(c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:21.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-3.37,7.87,;-1.39,6.09,;-.91,4.63,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;2.18,8.06,;2.66,6.59,;4.16,6.27,;5.19,7.42,;6.7,7.1,;4.72,8.88,;3.21,9.2,)|
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)NC1CC1
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)NCC1CCOC1
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)NC1CCOCC1
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)NCCCO
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)N1CCC(O)CC1
CN([C@H]1CC[C@H](O)CC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nccn12 |r,wU:5.5,wD:2.1,(-7.97,4.76,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-1.94,3.48,;-3.45,3.8,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,)|
CO[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nccn12 |r,wU:2.1,wD:5.8,(-10.35,12.08,;-8.84,11.76,;-8.36,10.3,;-6.86,9.98,;-6.38,8.51,;-7.41,7.37,;-8.92,7.69,;-9.39,9.16,;-6.94,5.91,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-1.94,3.48,;-3.45,3.8,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,)|
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)N[C@H]1C[C@H](O)C1 |r,wU:23.26,wD:21.23,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.71,8.74,;-8.08,9.44,;-8.56,10.91,;-8.78,8.07,)|
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C |r,wU:24.30,wD:21.23,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-9.39,9.16,;-8.92,7.69,;-8.84,11.76,;-10.35,12.08,;-11.38,10.94,;-10.82,13.55,;-12.33,13.87,;-13.83,14.19,;-12.01,15.38,;-12.65,12.36,)|
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)N[C@H]1C[C@H](CO)C1 |r,wU:23.26,wD:21.23,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.71,8.74,;-8.08,9.44,;-8.56,10.91,;-10.07,11.23,;-8.78,8.07,)|
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)N[C@H]1CC[C@H](CO)OC1
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:24.27,wD:21.23,(-3.05,-5.23,;-3.05,-3.69,;-4.38,-2.92,;-4.38,-1.38,;-3.05,-.61,;-1.72,-1.38,;-1.72,-2.92,;-.38,-3.69,;-.22,-5.23,;1.28,-5.55,;2.05,-4.21,;3.56,-3.89,;4.59,-5.04,;4.04,-2.43,;3.01,-1.28,;1.5,-1.6,;1.02,-3.07,;-3.05,.93,;-1.51,.93,;-4.59,.93,;-3.05,2.47,;-1.72,3.24,;-.38,2.47,;.95,3.24,;.95,4.78,;2.28,5.55,;-.38,5.55,;-1.72,4.78,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nccn12 |r,wU:4.3,wD:7.10,(4.77,5.55,;3.44,4.78,;3.44,3.24,;2.1,5.55,;.77,4.78,;.77,3.24,;-.56,2.47,;-1.9,3.24,;-1.9,4.78,;-.56,5.55,;-3.23,2.47,;-3.23,.93,;-1.69,.93,;-4.77,.93,;-3.23,-.61,;-4.56,-1.38,;-4.56,-2.92,;-3.23,-3.69,;-3.23,-5.23,;-1.9,-2.92,;-1.9,-1.38,;-.56,-3.69,;-.4,-5.23,;1.1,-5.55,;1.87,-4.21,;3.38,-3.89,;4.41,-5.04,;3.86,-2.43,;2.83,-1.28,;1.32,-1.6,;.84,-3.07,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@@H]1C[C@H](CO)C1 |r,wD:21.23,23.26,(.31,-1.12,;1.34,-2.26,;.86,-3.73,;1.89,-4.87,;3.4,-4.55,;3.88,-3.09,;2.85,-1.94,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;4.43,-5.69,;3.29,-6.72,;5.58,-4.66,;5.46,-6.84,;4.99,-8.3,;5.69,-9.68,;4.31,-10.37,;3.84,-11.84,;4.87,-12.98,;3.61,-9,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@H](CO)OC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@@H]1CC[C@H](O)CC1 |r,wD:21.23,24.27,(.31,-1.12,;1.34,-2.26,;.86,-3.73,;1.89,-4.87,;3.4,-4.55,;3.88,-3.09,;2.85,-1.94,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;4.43,-5.69,;3.29,-6.72,;5.58,-4.66,;5.46,-6.84,;4.99,-8.3,;6.02,-9.45,;5.54,-10.91,;4.03,-11.23,;3.56,-12.7,;3,-10.09,;3.48,-8.62,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC1CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCCCO
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC(O)CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCC1CCOC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NN1CCNCC1
CN([C@H]1CC[C@H](O)CC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12 |r,wU:5.5,wD:2.1,(6.97,-6.52,;5.46,-6.84,;4.99,-8.3,;3.48,-8.62,;3,-10.09,;4.03,-11.23,;3.56,-12.7,;5.54,-10.91,;6.02,-9.45,;4.43,-5.69,;3.29,-6.72,;5.58,-4.66,;3.4,-4.55,;1.89,-4.87,;.86,-3.73,;1.34,-2.26,;.31,-1.12,;2.85,-1.94,;3.88,-3.09,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,)|
CO[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12 |r,wU:2.1,wD:5.8,(4.59,-13.84,;3.56,-12.7,;4.03,-11.23,;3,-10.09,;3.48,-8.62,;4.99,-8.3,;6.02,-9.45,;5.54,-10.91,;5.46,-6.84,;4.43,-5.69,;3.29,-6.72,;5.58,-4.66,;3.4,-4.55,;1.89,-4.87,;.86,-3.73,;1.34,-2.26,;.31,-1.12,;2.85,-1.94,;3.88,-3.09,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1C[C@H](O)C1 |r,wU:23.26,wD:21.23,(.31,-1.12,;1.34,-2.26,;.86,-3.73,;1.89,-4.87,;3.4,-4.55,;3.88,-3.09,;2.85,-1.94,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;4.43,-5.69,;3.29,-6.72,;5.58,-4.66,;5.46,-6.84,;4.99,-8.3,;3.61,-9,;4.31,-10.37,;3.84,-11.84,;5.69,-9.68,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C |r,wU:24.30,wD:21.23,(.31,-1.12,;1.34,-2.26,;.86,-3.73,;1.89,-4.87,;3.4,-4.55,;3.88,-3.09,;2.85,-1.94,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;4.43,-5.69,;3.29,-6.72,;5.58,-4.66,;5.46,-6.84,;4.99,-8.3,;3.48,-8.62,;3,-10.09,;4.03,-11.23,;5.54,-10.91,;6.02,-9.45,;3.56,-12.7,;4.59,-13.84,;6.1,-13.52,;4.11,-15.31,;5.14,-16.45,;6.17,-17.6,;4,-17.48,;6.29,-15.42,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:24.27,wD:21.23,(-3.05,-5.23,;-3.05,-3.69,;-4.38,-2.92,;-4.38,-1.38,;-3.05,-.61,;-1.72,-1.38,;-1.72,-2.92,;-.38,-3.69,;-.22,-5.23,;1.28,-5.55,;2.05,-4.21,;3.56,-3.89,;4.59,-5.04,;4.04,-2.43,;3.01,-1.28,;1.5,-1.6,;1.02,-3.07,;-3.05,.93,;-1.51,.93,;-4.59,.93,;-3.05,2.47,;-1.72,3.24,;-.38,2.47,;.95,3.24,;.95,4.78,;2.28,5.55,;-.38,5.55,;-1.72,4.78,)|
CC(=O)N[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12 |r,wU:4.3,wD:7.10,(4.77,5.55,;3.44,4.78,;3.44,3.24,;2.1,5.55,;.77,4.78,;.77,3.24,;-.56,2.47,;-1.9,3.24,;-1.9,4.78,;-.56,5.55,;-3.23,2.47,;-3.23,.93,;-1.69,.93,;-4.77,.93,;-3.23,-.61,;-4.56,-1.38,;-4.56,-2.92,;-3.23,-3.69,;-3.23,-5.23,;-1.9,-2.92,;-1.9,-1.38,;-.56,-3.69,;-.4,-5.23,;1.1,-5.55,;1.87,-4.21,;3.38,-3.89,;4.41,-5.04,;3.86,-2.43,;2.83,-1.28,;1.32,-1.6,;.84,-3.07,)|
Cc1cc(on1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:30.34,wD:27.30,(6.29,5.57,;5.67,4.16,;4.16,3.84,;4,2.31,;5.41,1.68,;6.44,2.83,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cnn(CC(F)(F)F)c1)S(=O)(=O)NC1CCC(O)CC1 |(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.16,3.84,;5.67,4.16,;6.44,2.83,;7.97,2.67,;8.88,3.91,;9.78,5.16,;7.63,4.82,;10.12,3.01,;5.41,1.68,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-8.92,7.69,;-9.39,9.16,;-8.36,10.3,;-8.84,11.76,;-6.86,9.98,;-6.38,8.51,)|
Cc1noc(C)c1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:28.31,(3.02,4.87,;4.16,3.84,;5.67,4.16,;6.44,2.83,;5.41,1.68,;5.73,.18,;4,2.31,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cnn(c1)C(C)(C)C#N)S(=O)(=O)NC1CCC(O)CC1 |(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.16,3.84,;5.67,4.16,;6.44,2.83,;5.41,1.68,;7.97,2.67,;8.13,4.2,;7.81,1.14,;9.5,2.51,;11.03,2.35,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-8.92,7.69,;-9.39,9.16,;-8.36,10.3,;-8.84,11.76,;-6.86,9.98,;-6.38,8.51,)|
CN(C)C(=O)c1ccc(c(F)c1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:36.40,wD:33.36,(10.67,4.62,;9.34,3.85,;9.34,2.31,;8,4.62,;8,6.16,;6.67,3.85,;6.67,2.31,;5.33,1.54,;4,2.31,;4,3.85,;2.67,4.62,;5.33,4.62,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-4.48,2.66,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;2.18,8.06,;2.66,6.59,;4.16,6.27,;5.19,7.42,;6.7,7.1,;4.72,8.88,;3.21,9.2,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cc(nn1C)C(F)(F)F)S(=O)(=O)NC1CCC(O)CC1 |(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.16,3.84,;5.67,4.16,;6.44,2.83,;5.41,1.68,;5.73,.18,;6.29,5.57,;6.92,6.98,;4.89,6.19,;7.7,4.94,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-8.92,7.69,;-9.39,9.16,;-8.36,10.3,;-8.84,11.76,;-6.86,9.98,;-6.38,8.51,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccncc1F)S(=O)(=O)NC1CCC(O)CC1 |(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;4,3.85,;2.67,4.62,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-8.92,7.69,;-9.39,9.16,;-8.36,10.3,;-8.84,11.76,;-6.86,9.98,;-6.38,8.51,)|
CC(O)c1ccc(c(F)c1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:34.38,wD:31.34,(9.34,3.85,;8,4.62,;8,6.16,;6.67,3.85,;6.67,2.31,;5.33,1.54,;4,2.31,;4,3.85,;2.67,4.62,;5.33,4.62,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-6.38,8.51,;-6.86,9.98,;-8.36,10.3,;-8.84,11.76,;-9.39,9.16,;-8.92,7.69,)|
COc1cc(C)c(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1cnc2c(N)nccn12 |r,wU:16.17,wD:13.13,(-2.34,9.02,;-3.37,7.87,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-4.48,2.66,;-1.94,3.48,;-.91,4.63,;-1.39,6.09,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;2.18,8.06,;2.66,6.59,;4.16,6.27,;5.19,7.42,;6.7,7.1,;4.72,8.88,;3.21,9.2,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,)|
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)NC1CCC(F)(F)CC1
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)NC1CCC(C)(O)CC1 |(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-8.92,7.69,;-9.39,9.16,;-8.36,10.3,;-9.47,11.37,;-8.1,11.82,;-6.86,9.98,;-6.38,8.51,)|
Cc1ccc(cc1-c1cnc2c(N)nccn12)S(=O)(=O)NCC1CCN(CC1)C(=O)C1CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC(O)C2(CC2)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1C2CCC1CC(O)C2 |THB:27:26:20:22.23|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCC1(CO)CCOCC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC1CCC(F)(F)CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1COC[C@@H]1O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:24.30,wD:21.23,(.31,-1.12,;1.34,-2.26,;.86,-3.73,;1.89,-4.87,;3.4,-4.55,;3.88,-3.09,;2.85,-1.94,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;4.43,-5.69,;3.29,-6.72,;5.58,-4.66,;5.46,-6.84,;4.99,-8.3,;3.48,-8.62,;3,-10.09,;4.03,-11.23,;5.54,-10.91,;6.02,-9.45,;3.56,-12.7,;3.08,-14.16,;2.09,-12.22,;5.02,-13.17,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC1CC(CO)(CO)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC(CO)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCCN1CCS(=O)(=O)CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCC1CCC(F)(F)CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC(F)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC1CC(F)(F)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCC1(F)CCOCC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCC1CCS(=O)(=O)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC1CCCCC1O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCCN1CCCC1=O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(N)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC2(C1)CC(O)(C2)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC2(C1)CCOCC2
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC2(COC2)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC(O)(C1)C1CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC2(CC(O)C2)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC(C1)N1CCOCC1
COCC1CCCN1S(=O)(=O)C1=C[C@](C)(CC=C1)c1cnc2c(N)ncnn12 |c:17,t:12|
CN(C1CC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCCCC11CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC[C@H](C1)C#N
CO[C@@H]1CN(C[C@H]1F)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC[C@@H]1CO
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC(C1)C1COC1
CN(CCC#N)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
CC1COCC(C)N1S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCOCC1(C)C
CC1CCCC(CO)N1S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
CC1CN(C(C)(C)CO1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
CN(C1CC(O)C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12 |(6.97,-6.52,;5.46,-6.84,;4.99,-8.3,;5.69,-9.68,;4.31,-10.37,;3.84,-11.84,;3.61,-9,;4.43,-5.69,;3.29,-6.72,;5.58,-4.66,;3.4,-4.55,;1.89,-4.87,;.86,-3.73,;1.34,-2.26,;.31,-1.12,;2.85,-1.94,;3.88,-3.09,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,)|
CN(CC1(CO)CC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCS(=O)(=O)CC1
CC1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
CCCN(CC1CC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N(CCC#N)C1CCCC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCNC[C@@H]1CO
CN1CCN(CC1)[C@H]1CN(C[C@@H]1O)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1noc(C)c1C1CCCN1S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1C2CCC1CC(C2)N1CCOCC1 |THB:28:26:20:22.23|
CN1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12 |TLB:0:1:8:4.5|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCN(C2CC2)C(=O)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1C[C@H]2CCCCN2C(=O)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N(CCC#N)C1CCCCC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCN2[C@@H](COC2=O)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N(CCCO)CCC#N
COCC1(CC1)N(C)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
CN(CC1(CO)CCC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
CCN(CC1CCCO1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@H](CC#N)OC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.27,wD:21.23,(.31,-1.12,;1.34,-2.26,;.86,-3.73,;1.89,-4.87,;3.4,-4.55,;3.88,-3.09,;2.85,-1.94,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,;4.43,-5.69,;3.29,-6.72,;5.58,-4.66,;5.46,-6.84,;4.99,-8.3,;3.48,-8.62,;3,-10.09,;4.03,-11.23,;3.56,-12.7,;4.59,-13.84,;5.62,-14.99,;5.54,-10.91,;6.02,-9.45,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(O)(CC1)CC2
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CO)(CC1)CC2
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CC1)(CC2)C#N
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(F)(CC1)CC2
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC1(CC1)C#N
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC(C)(C)C(N)=O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC1(CCC1)C#N
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC2(COC(=O)N2)CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC2(CCCO2)CC1
CN1CCC2(CN(C2)S(=O)(=O)c2ccc(C)c(c2)-c2cnc3c(N)ncnn23)C1=O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC(F)(F)C(O)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC[C@H](O)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCN2CCCC2C1
CC(=O)NC1CCN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC(C)(C1)C#N
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC(C1)c1ccncc1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC2(CCCO2)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC2(C1)CCCOC2
CN(C)C1CCN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC2(CCO2)C1
CC1N(CCC11CCOCC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC2(C1)CCC(F)(F)CC2
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCCC11CCOC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCCC11CCOCC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC2CCOCC2C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1C[C@@H]2CCO[C@@H]2C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC(F)(F)C[C@H]1CO
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC[C@H]1C(C)(C)O
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCCn2nccc12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC(CC1)c1ccccn1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCC(CC1)C#N
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCCC(C1)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC(C1)C1CCOC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CC2(C1)CCOC2
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1C2CC3CC1CC(C2)O3 |TLB:20:21:29:25.26.24,20:25:29:22.21.28,17:20:27.29.26:24,28:27:22.21.20:24,THB:28:21:27.29.26:24|
CC1N(CCn2cnnc12)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCn2ccnc2C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCc2nc[nH]c2C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCc2nn(C)cc2C1
CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
CN1CCN(CC1=O)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCN(CC1)c1ncccn1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCN(CC1)c1nccnc1C#N
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCN(CC1)c1ccc(cn1)C#N
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCc1cnccn1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC(c1ccccn1)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCc1cccc(n1)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCc1ccnn1C
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NCc1ncon1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC(CN)C1CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC(C)(C)CN1CCCC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N1CCn2cnc(C(=O)NCC(F)(F)F)c2C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)Nc1ccc(nc1)C(=O)N1CC(O)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)Nc1cc2cn[nH]c2cn1
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(c2)-c2cnc3c(N)ncnn23)cn1
Cc1ccncc1NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
COc1ccc(NS(=O)(=O)c2ccc(C)c(c2)-c2cnc3c(N)ncnn23)c(C)n1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)Nc1ccnc(c1)C#N
C[C@@H](CO)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-3.35,-5.97,;-3.03,-4.46,;-4.17,-3.43,;-3.85,-1.92,;-2.39,-1.45,;-1.24,-2.48,;-1.56,-3.98,;-.42,-5.01,;-.58,-6.54,;.83,-7.17,;1.86,-6.03,;3.4,-6.03,;4.17,-7.36,;4.17,-4.69,;3.4,-3.36,;1.86,-3.36,;1.09,-4.69,;-2.06,.06,;-3.57,.38,;-2.06,1.6,;-.6,.54,;.17,1.87,;-.6,3.2,;.43,4.45,;1.02,3.04,;1.84,3.72,;1.68,2.19,;.12,5.96,;-.19,7.47,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(O)(C1)CC2 |(-3.69,-5.17,;-3.37,-3.66,;-4.52,-2.63,;-4.2,-1.12,;-2.73,-.65,;-1.59,-1.68,;-1.91,-3.18,;-.76,-4.21,;-.92,-5.75,;.48,-6.37,;1.51,-5.23,;3.05,-5.23,;3.82,-6.56,;3.82,-3.89,;3.05,-2.56,;1.51,-2.56,;.74,-3.89,;3.82,-1.23,;4.59,.11,;5.16,-2,;2.49,-.46,;-2.41,.86,;-2.41,2.4,;-3.9,1.26,;-.95,1.34,;-.18,2.67,;-.95,4,;.08,5.15,;-.24,6.65,;.67,3.84,;1.49,4.52,;1.33,2.99,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-3.03,-5.92,;-2.71,-4.41,;-3.85,-3.38,;-3.53,-1.88,;-2.06,-1.4,;-.92,-2.43,;-1.24,-3.94,;-.1,-4.97,;-.26,-6.5,;1.15,-7.13,;2.18,-5.98,;3.72,-5.98,;4.49,-7.31,;4.49,-4.65,;3.72,-3.31,;2.18,-3.31,;1.41,-4.65,;-1.74,.11,;-1.74,1.65,;-3.23,.5,;-.28,.58,;.49,1.92,;-.28,3.25,;.75,4.5,;1.34,3.09,;2.16,3.77,;2,2.24,;.44,6.01,;.13,7.52,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-3.46,-5.77,;-3.06,-4.28,;-4.15,-3.2,;-3.75,-1.71,;-2.26,-1.31,;-1.17,-2.4,;-1.57,-3.89,;-.48,-4.98,;-.64,-6.51,;.76,-7.13,;1.79,-5.99,;3.33,-5.99,;4.1,-7.32,;4.1,-4.66,;3.33,-3.32,;1.79,-3.32,;1.02,-4.66,;-1.86,.18,;-3.35,.58,;-1.86,1.72,;-.38,.58,;.39,1.91,;-.23,3.32,;.89,4.39,;1.68,3.01,;2.24,3.58,;1.92,2.07,;.72,5.93,;.55,7.46,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-5.48,-5.77,;-5.08,-4.28,;-6.17,-3.2,;-5.77,-1.71,;-4.28,-1.31,;-3.19,-2.4,;-3.59,-3.89,;-2.5,-4.98,;-2.67,-6.51,;-1.26,-7.13,;-.23,-5.99,;1.31,-5.99,;2.08,-7.32,;2.08,-4.66,;1.31,-3.32,;-.23,-3.32,;-1,-4.66,;-3.89,.18,;-5.37,.58,;-3.89,1.72,;-2.4,.58,;-1.63,1.91,;-2.25,3.32,;-1.13,4.39,;-.34,3.01,;.22,3.58,;-.1,2.07,;-1.3,5.93,;-1.47,7.46,)|
Cc1ncc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-3.44,-5.77,;-3.04,-4.28,;-4.13,-3.2,;-3.73,-1.71,;-2.24,-1.31,;-1.15,-2.4,;-1.55,-3.89,;-.46,-4.98,;-.62,-6.51,;.79,-7.13,;1.82,-5.99,;3.36,-5.99,;4.13,-7.32,;4.13,-4.66,;3.36,-3.32,;1.82,-3.32,;1.05,-4.66,;-1.84,.18,;-3.33,.58,;-1.84,1.72,;-.35,.58,;.42,1.91,;-.21,3.32,;.91,4.39,;1.7,3.01,;2.27,3.58,;1.95,2.07,;.75,5.93,;.58,7.46,)|
Cc1ncc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-4.1,-5.77,;-3.7,-4.28,;-4.79,-3.2,;-4.39,-1.71,;-2.91,-1.31,;-1.82,-2.4,;-2.22,-3.89,;-1.13,-4.98,;-1.29,-6.51,;.12,-7.13,;1.15,-5.99,;2.69,-5.99,;3.46,-7.32,;3.46,-4.65,;2.69,-3.32,;1.15,-3.32,;.38,-4.66,;3.46,-1.99,;4.23,-.65,;2.13,-1.22,;4.79,-2.76,;-2.51,.18,;-4,.58,;-2.51,1.72,;-1.02,.58,;-.25,1.91,;-.88,3.32,;.25,4.39,;1.04,3.01,;1.6,3.58,;1.28,2.07,;.08,5.93,;-.09,7.46,)|
Cc1nc2c(N)ncnn2c1-c1cccc(c1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-1.96,-7.28,;-.62,-6.51,;.79,-7.13,;1.82,-5.99,;3.36,-5.99,;4.13,-7.32,;4.13,-4.66,;3.36,-3.32,;1.82,-3.32,;1.05,-4.66,;-.46,-4.98,;-1.55,-3.89,;-3.04,-4.28,;-4.13,-3.2,;-3.73,-1.71,;-2.24,-1.31,;-1.15,-2.4,;-1.84,.18,;-3.33,.58,;-1.84,1.72,;-.35,.58,;.42,1.91,;-.21,3.32,;.91,4.39,;1.7,3.01,;2.27,3.58,;1.95,2.07,;.75,5.93,;.58,7.46,)|
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C1CC1)S(=O)(=O)NC12CC(CO)(C1)CC2 |(-4.1,-5.23,;-3.7,-3.74,;-4.79,-2.65,;-4.39,-1.16,;-2.91,-.77,;-1.82,-1.85,;-2.22,-3.34,;-1.13,-4.43,;-1.29,-5.96,;.12,-6.59,;1.15,-5.44,;2.69,-5.44,;3.46,-6.78,;3.46,-4.11,;2.69,-2.78,;1.15,-2.78,;.38,-4.11,;3.46,-1.44,;4.79,-.67,;3.46,.1,;-2.51,.72,;-4,1.12,;-2.51,2.26,;-1.02,1.12,;-.25,2.45,;-.88,3.86,;.27,4.89,;-.13,6.38,;-1.62,6.78,;1.04,3.56,;1.6,4.12,;1.28,2.62,)|
Nc1ncnn2c(cnc12)-c1cc(ccc1C#N)S(=O)(=O)NC12CC(C1)(CC2)C#N |(4.13,-7,;3.36,-5.66,;4.13,-4.33,;3.36,-3,;1.82,-3,;1.05,-4.33,;-.46,-4.65,;-.62,-6.18,;.79,-6.81,;1.82,-5.66,;-1.55,-3.56,;-1.15,-2.07,;-2.24,-.98,;-3.73,-1.38,;-4.13,-2.87,;-3.04,-3.96,;-3.44,-5.45,;-3.83,-6.93,;-1.84,.5,;-1.84,2.04,;-3.33,.9,;-.3,.5,;.47,1.84,;-.44,3.08,;.45,4.38,;1.24,3,;1.93,3.85,;1.93,2.31,;-.03,5.84,;-.51,7.3,)|
CN(C12CC(C1)(CC2)C#N)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12 |(.87,-.83,;.1,.5,;.87,1.84,;-.04,3.08,;.84,4.38,;1.64,3,;2.33,3.85,;2.33,2.31,;.36,5.84,;-.12,7.3,;-1.44,.5,;-1.44,2.04,;-2.93,.9,;-1.84,-.98,;-3.33,-1.38,;-3.73,-2.87,;-2.64,-3.96,;-3.04,-5.45,;-1.15,-3.56,;-.75,-2.07,;-.06,-4.65,;-.22,-6.18,;1.18,-6.81,;2.21,-5.66,;3.75,-5.66,;4.52,-7,;4.52,-4.33,;3.75,-3,;2.21,-3,;1.44,-4.33,)|
Cc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)CC2
Cc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(CC2)C#N |(4,2.31,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;.6,4.3,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-7.72,9.37,;-8.68,8.11,;-5.87,7.4,;-9.93,7.21,;-8.6,6.54,;-9.75,9.22,;-10.82,10.32,)|
Cc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(C2)C#N
COC(=O)C12CC(C1)(C2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(Cn3cncn3)(C1)C2
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(Cn3cccn3)(C1)C2
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(C1)(C2)C(N)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(C1)(C2)C(O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(C1)(CC2)C(N)=O |(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,3.08,;3.23,3.64,;4.77,.98,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-7.72,9.37,;-8.68,8.11,;-5.87,7.4,;-9.93,7.21,;-8.6,6.54,;-9.75,9.22,;-9.33,10.7,;-11.25,8.84,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(C1)(C2)c1nnn[nH]1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(C1)(C2)c1ncno1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CC2(CC(O)C2)C1
CN1CCN(CC1=O)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F
Cc1noc(C)c1C1CCCN1S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CC2CC2(C1)C#N
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CC2NCC1C2O |THB:21:24:28.27:30|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCOC2CNCC12
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CC[C@H](N)C1
C[C@H]1C[C@@H](N)CN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1C[C@H](N)C[C@@H](C1)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CC[C@@H](F)[C@@H](N)C1
CN(C)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCCC(C)(CO)C1
COC1CCCN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCCC(C1)C#N
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)N1CC2(CC(O)C2)C1
CN(CCC#N)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)N(CCC#N)C1CC1
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)N(CCC#N)C1CCCC1
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)N1CCC[C@H]1CO
CN1CCC2(CN(C2)S(=O)(=O)c2ccc(C)c(c2)-c2cnc3c(N)nc(nn23)C(F)(F)F)C1=O
CCN1CC2C(O)C1CN2S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F |THB:10:9:3.2:5,1:2:9.8:5|
CC(C)N1CC2C(O)C1CN2S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F |THB:11:10:4.3:6,1:3:10.9:6|
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)N1CC2C(O)C1CN2C1CCC(C1)C#N |TLB:21:24:30.31:27,32:31:24.25:27|
CN1CC2C(O)C1CN2S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F |THB:9:8:2.1:4,0:1:8.7:4|
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)N1CC2C(O)C1CN2C1CCCC1C#N |TLB:21:24:30.31:27,32:31:24.25:27|
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)N1CC2C(O)C1CN2C1CC(C1)C#N |TLB:21:24:30.31:27,32:31:24.25:27,(7.14,2.66,;6.11,3.8,;6.59,5.27,;5.56,6.41,;4.05,6.09,;3.58,4.63,;4.61,3.48,;4.13,2.02,;5.04,.77,;4.13,-.48,;2.67,,;1.33,-.77,;1.33,-2.31,;;,1.54,;1.33,2.31,;2.67,1.54,;-1.33,2.31,;-2.67,3.08,;-.56,3.64,;-2.1,.98,;3.02,7.23,;1.88,6.2,;4.17,8.26,;1.99,8.38,;2.8,9.53,;1.28,8.96,;.85,6.12,;.8,4.59,;.71,7.67,;-.67,8.69,;0,9.79,;-.34,11.29,;-1.64,12.11,;-.82,13.42,;.48,12.6,;-1.17,14.92,;-1.51,16.42,)|
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)N1CC2NCC1C2O |THB:21:24:28.27:30|
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)N[C@H]1CC[C@H](CO)OC1
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)NCc1ccnn1C
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)NCc1cnccn1
CC1(O)CCC(CC1)NS(=O)(=O)c1cc(ccc1F)-c1cnc2c(N)nccn12 |(6.67,7.84,;5.19,7.42,;6.37,6.43,;4.72,8.88,;3.21,9.2,;2.18,8.06,;2.66,6.59,;4.16,6.27,;.67,8.38,;-.36,7.23,;.79,6.2,;-1.5,8.26,;-1.39,6.09,;-.91,4.63,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-3.37,7.87,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,)|
Nc1nccn2c(cnc12)-c1ccc(F)c(c1)S(=O)(=O)NCC1(CO)CCOCC1
Cc1cc(C)c(cc1-c1cnc2c(N)nccn12)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CC1)(C2)C#N
CC1(O)CCC(CC1)NS(=O)(=O)c1cc(ccc1F)-c1cnc2c(N)ncnn12 |(-6.69,-.41,;-5.24,-.93,;-5.61,.56,;-5.72,-2.4,;-4.69,-3.54,;-3.18,-3.22,;-2.7,-1.76,;-3.73,-.61,;-2.15,-4.37,;-.64,-4.05,;-.96,-2.54,;-.32,-5.55,;.86,-3.73,;1.34,-2.26,;2.85,-1.94,;3.88,-3.09,;3.4,-4.55,;1.89,-4.87,;1.42,-6.33,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,)|
CC1(O)CCC(CC1)NS(=O)(=O)c1cc(ccc1Cl)-c1cnc2c(N)ncnn12 |(-6.69,-.41,;-5.24,-.93,;-5.61,.56,;-5.72,-2.4,;-4.69,-3.54,;-3.18,-3.22,;-2.7,-1.76,;-3.73,-.61,;-2.15,-4.37,;-.64,-4.05,;-.96,-2.54,;-.32,-5.55,;.86,-3.73,;1.34,-2.26,;2.85,-1.94,;3.88,-3.09,;3.4,-4.55,;1.89,-4.87,;1.42,-6.33,;3.32,-.48,;2.42,.77,;3.32,2.02,;4.79,1.54,;6.12,2.31,;6.12,3.85,;7.45,1.54,;7.45,,;6.12,-.77,;4.79,,)|
Cc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)NC12CC(CC#N)(C1)C2
Cc1cn2c(cnc2c(N)n1)-c1ccc(F)c(c1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(4,2.31,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-3.37,7.87,;-1.39,6.09,;-.91,4.63,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;2.18,8.06,;4.06,7.32,;3.46,8.79,;1.43,6.71,;3.3,10.32,;2.05,9.5,;4.95,9.16,;6.44,9.54,)|
Cc1cn2c(cnc2c(N)n1)-c1cccc(c1)S(=O)(=O)NC12CC(CO)(C1)CC2
Cc1cn2c(cnc2c(N)n1)-c1ccc(F)c(c1)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)CC2
Cc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)NC12CC(O)(C1)CC2
Cc1cn2c(cnc2c(N)n1)-c1ccc(Cl)c(c1)S(=O)(=O)NC1CCC(C)(O)CC1 |(4,2.31,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-3.37,7.87,;-1.39,6.09,;-.91,4.63,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;2.18,8.06,;3.21,9.2,;4.72,8.88,;5.19,7.42,;6.67,7.84,;6.37,6.43,;4.16,6.27,;2.66,6.59,)|
Cc1ccc(cc1-c1cnc2c(N)nc(C)nn12)S(=O)(=O)NC12CC(C1)(CC2)C#N |(7.14,2.66,;6.11,3.8,;6.59,5.27,;5.56,6.41,;4.05,6.09,;3.58,4.63,;4.61,3.48,;4.13,2.02,;5.04,.77,;4.13,-.48,;2.67,,;1.33,-.77,;1.33,-2.31,;;,1.54,;-1.33,2.31,;1.33,2.31,;2.67,1.54,;3.02,7.23,;4.17,8.26,;1.88,6.2,;1.99,8.38,;2.47,9.84,;3.39,11.64,;1.88,11.19,;3.73,8.96,;.34,11.2,;1.02,9.87,;1.66,12.71,;1.44,14.24,)|
Cc1nc(N)c2ncc(-c3cc(c(Cl)cc3C)S(=O)(=O)N[C@H]3CC[C@H](CC#N)OC3)n2n1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(CO)(C1)CC2
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(CO)(C1)C2
Nc1nc(cn2c(cnc12)-c1ccc(Cl)c(c1)S(=O)(=O)NC12CC(C1)(CC2)C#N)C(F)(F)F |(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-3.37,7.87,;-1.39,6.09,;-.91,4.63,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;2.18,8.06,;4.06,7.32,;3.46,8.79,;1.43,6.71,;3.3,10.32,;2.05,9.5,;4.95,9.16,;6.44,9.54,;4,2.31,;5.33,3.08,;3.23,3.64,;4.77,.98,)|
Nc1nc(cn2c(cnc12)-c1cc(ccc1Cl)S(=O)(=O)NC12CC(CO)(C1)CC2)C(F)(F)F
Nc1nc(cn2c(cnc12)-c1cccc(c1)S(=O)(=O)NC12CC(CO)(C1)CC2)C(F)(F)F
Nc1nc(cn2c(cnc12)-c1cccc(c1)S(=O)(=O)NC12CC(C1)(CC2)C#N)C(F)(F)F |(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-7.72,9.37,;-8.68,8.11,;-5.87,7.4,;-9.93,7.21,;-8.6,6.54,;-9.75,9.22,;-10.82,10.32,;4,2.31,;5.33,3.08,;3.23,3.64,;4.77,.98,)|
Nc1nc(cn2c(cnc12)-c1ccc(F)c(c1)S(=O)(=O)NC12CC(C1)(CC2)C#N)C(F)(F)F |(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-3.37,7.87,;-1.39,6.09,;-.91,4.63,;-.36,7.23,;.79,6.2,;-1.5,8.26,;.67,8.38,;2.18,8.06,;4.06,7.32,;3.46,8.79,;1.43,6.71,;3.3,10.32,;2.05,9.5,;4.95,9.16,;6.44,9.54,;4,2.31,;5.33,3.08,;3.23,3.64,;4.77,.98,)|
Cc1c(F)cc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(C1)(CC2)C#N |(.6,4.3,;-.91,4.63,;-1.39,6.09,;-.36,7.23,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,3.08,;3.23,3.64,;4.77,.98,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-7.41,7.37,;-7.72,9.37,;-8.68,8.11,;-5.87,7.4,;-9.93,7.21,;-8.6,6.54,;-9.75,9.22,;-10.82,10.32,)|
Nc1nc(cn2c(cnc12)-c1ccc(F)c(c1)S(=O)(=O)NC12CC(CO)(C1)CC2)C(F)(F)F
Nc1nc(cn2c(cnc12)-c1ccc(Cl)c(c1)S(=O)(=O)NC12CC(CO)(C1)CC2)C(F)(F)F
Cc1cc(C)c(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(CO)(C1)CC2
Nc1nc(cn2c(cnc12)-c1cc(ccc1C#N)S(=O)(=O)NC12CC(CO)(C1)CC2)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N[C@H]1CC[C@H](CC#N)OC1
CC(C)(O)CNS(=O)(=O)c1ccc(c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F
Cc1cc(F)c(cc1-c1cnc2cnc(cn12)C(F)(F)F)S(=O)(=O)N1CCCC(CO)C1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCCC(CO)C1
CC1(O)CCC(CC1)NS(=O)(=O)c1cc(ccc1F)-c1cnc2c(N)nc(cn12)-c1ccccc1F |(6.67,7.84,;5.19,7.42,;6.37,6.43,;4.72,8.88,;3.21,9.2,;2.18,8.06,;2.66,6.59,;4.16,6.27,;.67,8.38,;-.36,7.23,;.79,6.2,;-1.5,8.26,;-1.39,6.09,;-.91,4.63,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-3.37,7.87,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;4,3.85,;2.67,4.62,)|
CC1(O)CCC(CC1)NS(=O)(=O)c1cc(ccc1F)-c1cnc2c(N)nc(cn12)-c1ccncc1F |(6.67,7.84,;5.19,7.42,;6.37,6.43,;4.72,8.88,;3.21,9.2,;2.18,8.06,;2.66,6.59,;4.16,6.27,;.67,8.38,;-.36,7.23,;.79,6.2,;-1.5,8.26,;-1.39,6.09,;-.91,4.63,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-3.37,7.87,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;4,3.85,;2.67,4.62,)|
CC1(O)CCC(CC1)NS(=O)(=O)c1cc(ccc1F)-c1cnc2c(N)nc(cn12)-c1ccc(CO)cc1F |(6.67,7.84,;5.19,7.42,;6.37,6.43,;4.72,8.88,;3.21,9.2,;2.18,8.06,;2.66,6.59,;4.16,6.27,;.67,8.38,;-.36,7.23,;.79,6.2,;-1.5,8.26,;-1.39,6.09,;-.91,4.63,;-1.94,3.48,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-3.37,7.87,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;6.67,3.85,;8,4.62,;9.34,3.85,;5.33,4.62,;4,3.85,;2.67,4.62,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CC(C)(C1)OC2 |(-4.47,-1.89,;-3.39,-.8,;-3.78,.69,;-2.69,1.78,;-1.21,1.38,;-.81,-.11,;-1.9,-1.2,;-1.5,-2.69,;-2.4,-3.93,;-1.5,-5.18,;-.03,-4.7,;1.3,-5.47,;1.3,-7.01,;2.63,-4.7,;2.63,-3.16,;1.3,-2.39,;-.03,-3.16,;-.12,2.47,;.28,3.95,;-1.21,3.55,;1.37,2.07,;2.46,3.16,;1.98,4.62,;3.23,5.53,;3.63,7.01,;3.55,4.24,;4.47,4.62,;4,3.16,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(C)(C1)OC2 |(-4.89,-1.89,;-3.8,-.8,;-4.2,.69,;-3.11,1.78,;-1.62,1.38,;-1.22,-.11,;-2.31,-1.2,;-1.91,-2.69,;-2.82,-3.93,;-1.91,-5.18,;-.45,-4.7,;.89,-5.47,;.89,-7.01,;2.22,-4.7,;2.22,-3.16,;.89,-2.39,;-.45,-3.16,;3.55,-2.39,;4.89,-3.16,;3.55,-.85,;4.89,-1.62,;-.53,2.47,;-.13,3.95,;-1.62,3.55,;.96,2.07,;2.05,3.16,;1.57,4.62,;2.82,5.53,;3.21,7.01,;3.13,4.24,;4.06,4.62,;3.59,3.16,)|
Cc1ccc(cc1-c1cnc2c(N)nc(C)nn12)S(=O)(=O)NC12CC(C)(C1)OC2 |(-3.93,-1.89,;-2.84,-.8,;-3.24,.69,;-2.15,1.78,;-.66,1.38,;-.26,-.11,;-1.35,-1.2,;-.95,-2.69,;-1.86,-3.93,;-.95,-5.18,;.51,-4.7,;1.84,-5.47,;1.84,-7.01,;3.18,-4.7,;3.18,-3.16,;4.51,-2.39,;1.84,-2.39,;.51,-3.16,;.43,2.47,;.82,3.95,;-.66,3.55,;1.91,2.07,;3,3.16,;2.53,4.62,;3.77,5.53,;4.17,7.01,;4.09,4.24,;5.02,4.62,;4.54,3.16,)|
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)NC12CC(CO)(C1)OC2 |(-4.89,-2.09,;-3.8,-1,;-4.2,.49,;-3.11,1.58,;-1.62,1.18,;-1.22,-.31,;-2.31,-1.4,;-1.91,-2.89,;-2.82,-4.13,;-1.91,-5.38,;-.45,-4.9,;.89,-5.67,;.89,-7.21,;2.22,-4.9,;2.22,-3.36,;.89,-2.59,;-.45,-3.36,;3.55,-2.59,;4.89,-3.36,;3.55,-1.05,;4.89,-1.82,;-.53,2.27,;-.13,3.75,;-1.62,3.36,;.96,1.87,;2.05,2.96,;1.57,4.42,;2.82,5.33,;3.21,6.81,;4.7,7.21,;3.13,4.05,;4.06,4.42,;3.59,2.96,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(CO)(C1)OC2 |(-4.89,-2.09,;-3.8,-1,;-4.2,.49,;-3.11,1.58,;-1.62,1.18,;-1.22,-.31,;-2.31,-1.4,;-1.91,-2.89,;-2.82,-4.13,;-1.91,-5.38,;-.45,-4.9,;.89,-5.67,;.89,-7.21,;2.22,-4.9,;2.22,-3.36,;.89,-2.59,;-.45,-3.36,;3.55,-2.59,;4.89,-3.36,;3.55,-1.05,;4.89,-1.82,;-.53,2.27,;-.13,3.75,;-1.62,3.36,;.96,1.87,;2.05,2.96,;1.57,4.42,;2.82,5.33,;3.21,6.81,;4.7,7.21,;3.13,4.05,;4.06,4.42,;3.59,2.96,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CC(C1)(OC2)C#N |(-4.89,-2.63,;-3.8,-1.55,;-4.2,-.06,;-3.11,1.03,;-1.62,.63,;-1.22,-.85,;-2.31,-1.94,;-1.91,-3.43,;-2.82,-4.68,;-1.91,-5.92,;-.45,-5.45,;.89,-6.22,;.89,-7.76,;2.22,-5.45,;2.22,-3.91,;.89,-3.14,;-.45,-3.91,;3.55,-3.14,;4.89,-3.91,;3.55,-1.6,;4.89,-2.37,;-.53,1.72,;-.13,3.21,;-1.62,2.81,;.96,1.32,;2.05,2.41,;1.57,3.88,;2.82,4.78,;3.13,3.5,;4.06,3.88,;3.59,2.41,;3.21,6.27,;3.61,7.76,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CC#N)(CC1)C2
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CC1)(C2)C(C)(C)O
CC(O)C12CCC(CC1)(CO2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CO)(CC1)OC2
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CN3CCOCC3)(CC1)OC2 |(-7.33,-1.94,;-6.24,-.85,;-6.64,.64,;-5.55,1.73,;-4.06,1.33,;-3.67,-.16,;-4.75,-1.25,;-4.36,-2.74,;-5.26,-3.98,;-4.36,-5.23,;-2.89,-4.75,;-1.56,-5.52,;-1.56,-7.06,;-.22,-4.75,;-.22,-3.21,;-1.56,-2.44,;-2.89,-3.21,;-2.98,2.42,;-2.58,3.9,;-4.06,3.5,;-1.49,2.02,;-.4,3.11,;-.8,4.59,;.29,5.68,;1.78,5.28,;2.87,6.37,;4.36,5.97,;4.75,4.49,;6.24,4.09,;7.33,5.18,;6.93,6.66,;5.44,7.06,;.29,4.89,;1.06,3.55,;2.18,3.8,;1.09,2.71,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CN3CC(F)(F)C3)(CC1)OC2 |(-7.56,-1.78,;-6.47,-.69,;-6.87,.8,;-5.78,1.88,;-4.3,1.49,;-3.9,-0,;-4.99,-1.09,;-4.59,-2.58,;-5.49,-3.82,;-4.59,-5.07,;-3.12,-4.59,;-1.79,-5.36,;-1.79,-6.9,;-.45,-4.59,;-.45,-3.05,;-1.79,-2.28,;-3.12,-3.05,;-3.21,2.58,;-2.81,4.06,;-4.3,3.66,;-1.72,2.18,;-.63,3.27,;-1.03,4.75,;.06,5.84,;1.55,5.44,;2.64,6.53,;4.12,6.13,;4.89,4.8,;6.23,5.57,;7.56,6.34,;7,4.24,;5.46,6.9,;.06,5.04,;.83,3.71,;1.95,3.96,;.86,2.87,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CC1)(OC2)C(F)F
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CC1)(OC2)C(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CC1)(OC2)C(O)c1ccccc1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CC1)(OC2)c1nccn1C
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(CC1)(OC2)c1cnco1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CCC(CC1)(OC2)C(C)(C)O |(-5.63,-2.68,;-4.6,-1.53,;-5.07,-.07,;-4.04,1.08,;-2.54,.76,;-2.06,-.71,;-3.09,-1.85,;-2.62,-3.32,;-3.52,-4.56,;-2.62,-5.81,;-1.15,-5.33,;.18,-6.1,;.18,-7.64,;1.52,-5.33,;1.52,-3.79,;.18,-3.02,;-1.15,-3.79,;2.85,-3.02,;4.18,-2.25,;3.62,-4.36,;2.08,-1.69,;-1.51,1.9,;-2.84,2.67,;-1.11,3.39,;,1.58,;1.03,2.72,;.55,4.19,;1.58,5.33,;3.09,5.01,;1.92,4.39,;2.3,3.51,;3.57,3.55,;2.54,2.4,;4.12,6.16,;4.52,7.64,;3.03,7.25,;5.63,5.84,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CCC(O)(CC1)C2
Cc1ccc(cc1-c1cnc2c(N)nc(C)nn12)S(=O)(=O)NC12CCC(O)(CC1)C2
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)NC12CCC(O)(CC1)C2
CNC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)NCC1CC(F)(F)C1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC1CCC1)S(=O)(=O)NCC1CC(F)(F)C1
CNC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)NC1CC(F)(F)C1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC1CCC1)S(=O)(=O)NC1CC(F)(F)C1
CNC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)NC1CC[C@H](CC#N)OC1 |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC1CCC1)S(=O)(=O)N[C@H]1CC[C@H](CC#N)OC1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC1CC(F)(F)C1)S(=O)(=O)N[C@H]1CC[C@H](CC#N)OC1
CCN(CC)CCCCNC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NCCc1cnn(C)c1)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)Nc1cc([nH]n1)-c1ccco1)S(C)(=O)=O
CN1CCN(CC1)c1ccc(NC(=O)c2cn3c(cnc3c(N)n2)-c2cc(ccc2C)S(C)(=O)=O)nc1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NCC1CCC(CC1)C(F)(F)F)S(C)(=O)=O |(-4.48,2.66,;-3.45,3.8,;-3.92,5.27,;-2.89,6.41,;-1.39,6.09,;-.91,4.63,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4,3.85,;5.33,1.54,;6.67,2.31,;8,1.54,;9.34,2.31,;10.67,1.54,;10.67,,;9.34,-.77,;8,,;12,-.77,;13.34,-1.54,;12.77,.56,;11.23,-2.1,;-.36,7.23,;-1.5,8.26,;.67,8.38,;.79,6.2,)|
CC(CCCn1cccn1)NC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
COCCN1CCCC(C1)NC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC1CCCN(CC#N)C1)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC1CCCN(CCO)C1)S(C)(=O)=O
COC(=O)N1CCCC(C1)NC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC1CCCN(C1)S(C)(=O)=O)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:24.28,wD:21.23,24.27,(-3.06,-5.15,;-3.06,-3.61,;-4.39,-2.84,;-4.39,-1.3,;-3.06,-.53,;-1.73,-1.3,;-1.73,-2.84,;-.39,-3.61,;-.39,-5.15,;1.07,-5.63,;1.98,-4.38,;3.51,-4.22,;4.6,-5.31,;4.14,-2.81,;3.23,-1.57,;1.7,-1.73,;1.07,-3.14,;-3.06,1.01,;-1.52,1.01,;-4.6,1.01,;-3.06,2.55,;-1.73,3.32,;-.39,2.55,;.94,3.32,;.94,4.86,;2.28,4.09,;2.28,5.63,;-.39,5.63,;-1.73,4.86,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCC[C@@H](N)C1 |r|
Cc1cn2c(cnc2c(N)n1)-c1cc(c(C)cc1C)S(=O)(=O)N[C@@H]1CC[C@H](OC1)C(C)(C)O |r|
Cc1c(F)cc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)N[C@H]1CC[C@H](CC#N)OC1 |r|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@H](CF)OC1 |r|
Cc1nc(N)c2ncc(-c3cc(cc(F)c3C)S(=O)(=O)NCC(C)(C)O)n2n1
Cc1c(F)cc(cc1-c1cnc2c(N)nc(CO)nn12)S(=O)(=O)NCC(C)(C)O
Cc1ccc(NS(=O)(=O)C2CCOCC2)cc1-c1cnc2c(N)nccn12
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccncc1C)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cccc(CC#N)c1)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccc(cc1)C(F)F)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccncc1F)S(C)(=O)=O
COc1ncccc1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
COc1cccc(F)c1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnn1C)S(C)(=O)=O
CN(C)C(=O)c1ccc(c(F)c1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cccc(CO)c1F)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccc(N)nc1)S(C)(=O)=O
COc1nccc(c1F)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccncc1Cl)S(C)(=O)=O
COc1cnccc1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cccc(OCC#N)c1)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccc(CN2CCCC2)cc1F)S(C)(=O)=O
CC(O)c1ccc(c(F)c1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
Cc1cc(c(F)cn1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
COc1nc(CO)ccc1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
COc1cn[nH]c1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)CC1CCOCC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)CCC(F)(F)F
CC(O)CCS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)CCC(C)(C)O
CC(O)CS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)CC1CCC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)C[C@@H]1CC[C@H](O)CC1 |r,wU:21.23,24.27,(-3.44,-4.18,;-3.04,-2.69,;-4.13,-1.6,;-3.73,-.11,;-2.24,.28,;-1.15,-.81,;-1.55,-2.29,;-.46,-3.38,;-.62,-4.91,;.79,-5.54,;1.82,-4.4,;3.36,-4.4,;4.13,-5.73,;4.13,-3.06,;3.36,-1.73,;1.82,-1.73,;1.05,-3.06,;-1.84,1.77,;-1.44,3.26,;-3.33,2.17,;-.35,1.37,;.74,2.46,;2.22,2.06,;3.31,3.15,;2.91,4.64,;4,5.73,;1.43,5.04,;.34,3.95,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)CC1CC1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)CC1CC(F)(F)C1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)[C@@H]1CCC[C@H](O)C1 |r|
COc1ncccc1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)C(C)(C)C(C)O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccncc1F)S(=O)(=O)CC1(O)CCC1
CC(C)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(4.86,.32,;3.37,-.08,;2.28,1.01,;2.97,-1.57,;1.44,-1.73,;.81,-3.14,;-.65,-3.61,;-.65,-5.15,;.81,-5.63,;1.72,-4.38,;3.25,-4.22,;4.34,-5.31,;3.88,-2.81,;-1.98,-2.84,;-1.98,-1.3,;-3.32,-.53,;-4.65,-1.3,;-4.65,-2.84,;-3.32,-3.61,;-3.32,-5.15,;-3.32,1.01,;-1.78,1.01,;-4.86,1.01,;-3.32,2.55,;-1.98,3.32,;-1.98,4.86,;-.65,5.63,;.68,4.86,;2.02,5.63,;.68,3.32,;-.65,2.55,)|
Cc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:22.24,25.28,wD:25.29,(3.63,-.36,;3.23,-1.85,;1.7,-2.01,;1.07,-3.42,;-.39,-3.89,;-.39,-5.43,;1.07,-5.91,;1.98,-4.66,;3.51,-4.5,;4.6,-5.59,;4.14,-3.1,;-1.73,-3.12,;-1.73,-1.58,;-3.06,-.81,;-4.39,-1.58,;-4.39,-3.12,;-3.06,-3.89,;-3.06,-5.43,;-3.06,.73,;-1.52,.73,;-4.6,.73,;-3.06,2.27,;-1.73,3.04,;-1.73,4.58,;-.39,5.35,;.94,4.58,;1.71,5.91,;2.48,4.58,;.94,3.04,;-.39,2.27,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccc(CO)cc1F)S(=O)(=O)N1CC[C@H](O)C1 |r|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@@](C)(O)CC1 |r,wU:21.23,24.28,wD:24.27,(-2.9,-5.43,;-2.9,-3.89,;-4.23,-3.12,;-4.23,-1.58,;-2.9,-.81,;-1.57,-1.58,;-1.57,-3.12,;-.23,-3.89,;-.23,-5.43,;1.23,-5.91,;2.14,-4.66,;3.67,-4.5,;4.44,-5.84,;4.3,-3.1,;3.39,-1.85,;1.86,-2.01,;1.23,-3.42,;-2.9,.73,;-1.36,.73,;-4.44,.73,;-2.9,2.27,;-1.57,3.04,;-1.57,4.58,;-.23,5.35,;1.1,4.58,;1.87,5.91,;2.64,4.58,;1.1,3.04,;-.23,2.27,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:21.23,24.27,wD:24.28,(-2.9,-5.43,;-2.9,-3.89,;-4.23,-3.12,;-4.23,-1.58,;-2.9,-.81,;-1.57,-1.58,;-1.57,-3.12,;-.23,-3.89,;-.23,-5.43,;1.23,-5.91,;2.14,-4.66,;3.67,-4.5,;4.44,-5.84,;4.3,-3.1,;3.39,-1.85,;1.86,-2.01,;1.23,-3.42,;-2.9,.73,;-1.36,.73,;-4.44,.73,;-2.9,2.27,;-1.57,3.04,;-1.57,4.58,;-.23,5.35,;1.1,4.58,;1.87,5.91,;2.64,4.58,;1.1,3.04,;-.23,2.27,)|
CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCCC(C1)C(O)=O
COC[C@H]1CCCN1C(=O)C1CCCN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCCC(CNC(=O)OC(C)(C)C)C1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCCC(CN)C1
CN(C)CC(=O)NCC1CCCN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCCC(C1)NC(=O)OC(C)(C)C
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCCC(N)C1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)S(=O)(=O)N1CCCC(C1)NC(=O)C1CC1
Cc1ccc(cc1-c1cnc2c(N)ccnn12)S(=O)(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:21.23,24.27,wD:24.28,(-3.08,-5.52,;-3.08,-3.98,;-4.41,-3.21,;-4.41,-1.67,;-3.08,-.9,;-1.75,-1.67,;-1.75,-3.21,;-.41,-3.98,;-.25,-5.51,;1.25,-5.83,;2.02,-4.49,;3.53,-4.17,;4.62,-5.26,;4.01,-2.71,;2.98,-1.56,;1.47,-1.88,;.99,-3.35,;-3.08,.64,;-4.62,.64,;-1.54,.64,;-3.08,2.18,;-1.75,2.95,;-1.75,4.49,;-.41,5.26,;.92,4.49,;1.69,5.83,;2.46,4.49,;.92,2.95,;-.41,2.18,)|
Cc1ccc(cc1-c1cnc2c(NCc3ccccc3)nc(cn12)C(F)(F)F)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CC(C1)(CCC2)C#N |(-4.75,-2.74,;-3.67,-1.65,;-4.06,-.16,;-2.98,.93,;-1.49,.53,;-1.09,-.96,;-2.18,-2.05,;-1.78,-3.53,;-2.68,-4.78,;-1.78,-6.03,;-.31,-5.55,;1.02,-6.32,;1.02,-7.86,;2.35,-5.55,;2.35,-4.01,;1.02,-3.24,;-.31,-4.01,;-.4,1.62,;-.8,3.11,;.69,2.71,;1.09,1.22,;2.18,2.31,;1.78,3.8,;2.87,4.89,;3.27,3.4,;4.36,4.49,;4.75,3,;3.67,1.91,;2.47,6.37,;2.07,7.86,)|
CC(O)C12CC(C1)(CCC2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12 |(3.56,7.66,;2.47,6.57,;.98,6.97,;2.87,5.08,;1.78,4,;2.18,2.51,;3.27,3.6,;3.67,2.11,;4.75,3.2,;4.36,4.69,;1.09,1.42,;-.4,1.82,;-.8,3.31,;.69,2.91,;-1.49,.73,;-2.98,1.13,;-4.06,.04,;-3.67,-1.45,;-4.75,-2.54,;-2.18,-1.85,;-1.09,-.76,;-1.78,-3.34,;-2.68,-4.58,;-1.78,-5.83,;-.31,-5.35,;1.02,-6.12,;1.02,-7.66,;2.35,-5.35,;2.35,-3.81,;1.02,-3.04,;-.31,-3.81,)|
CC(N1CC(C1)C#N)C12CC(C1)(CCC2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12 |(3.08,7.6,;2.07,6.44,;.55,6.73,;-.31,8.01,;-1.58,7.14,;-.72,5.87,;-3.1,7.44,;-4.58,7.74,;2.57,4.98,;1.56,3.82,;2.06,2.36,;3.07,3.53,;3.57,2.07,;4.58,3.23,;4.08,4.69,;1.05,1.2,;-.46,1.49,;-.96,2.95,;.31,2.83,;-1.47,.33,;-2.98,.62,;-3.99,-.54,;-3.49,-2,;-4.5,-3.16,;-1.97,-2.29,;-.96,-1.13,;-1.47,-3.75,;-2.32,-5.03,;-1.37,-6.23,;.08,-5.7,;1.41,-6.47,;1.41,-8.01,;2.74,-5.7,;2.74,-4.16,;1.41,-3.39,;.08,-4.16,)|
CN1CC2CC(C2)(C1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)ncnn12 |(5.3,4.45,;3.78,4.75,;3.28,6.2,;1.77,6.49,;.76,5.33,;1.26,3.88,;2.27,5.04,;2.77,3.58,;.25,2.71,;-1.26,3,;-1.76,4.46,;-.49,4.34,;-2.27,1.84,;-3.78,2.13,;-4.79,.97,;-4.29,-.49,;-5.3,-1.65,;-2.77,-.78,;-1.77,.39,;-2.27,-2.23,;-3.12,-3.52,;-2.17,-4.72,;-.72,-4.19,;.61,-4.95,;.61,-6.49,;1.94,-4.19,;1.94,-2.65,;.61,-1.88,;-.72,-2.65,)|
CC(C)N1CC2CC(C2)(C1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F |(5.8,5.62,;4.79,4.45,;5.29,3,;3.28,4.75,;2.78,6.2,;1.26,6.49,;.25,5.33,;.76,3.88,;1.77,5.04,;2.27,3.58,;-.25,2.71,;-1.76,3,;-2.27,4.46,;-.99,4.34,;-2.77,1.84,;-4.28,2.13,;-5.29,.97,;-4.79,-.49,;-5.8,-1.65,;-3.28,-.78,;-2.27,.39,;-2.78,-2.23,;-3.63,-3.52,;-2.67,-4.72,;-1.23,-4.19,;.11,-4.95,;.11,-6.49,;1.44,-4.19,;1.44,-2.65,;.11,-1.88,;-1.23,-2.65,;2.77,-1.88,;4.11,-2.65,;2.77,-.34,;4.11,-1.11,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12CC(C1)CN(C2)C1CCC1 |(-6.36,-1.65,;-5.36,-.49,;-5.86,.97,;-4.85,2.13,;-3.34,1.84,;-2.83,.39,;-3.84,-.78,;-3.34,-2.23,;-4.19,-3.52,;-3.23,-4.72,;-1.79,-4.19,;-.46,-4.95,;-.46,-6.49,;.87,-4.19,;.87,-2.65,;-.46,-1.88,;-1.79,-2.65,;-2.33,3,;-2.83,4.46,;-1.56,4.34,;-.82,2.71,;.19,3.88,;-.31,5.33,;.7,6.49,;1.2,5.04,;2.21,6.2,;2.71,4.75,;1.71,3.58,;4.23,4.45,;5.09,3.18,;6.36,4.04,;5.5,5.32,)|
CN1CCCC(C)(C1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F
CC(C)N1CCCC(C)(C1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F
CN1CCC(C)(CC1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)NC1(C)CCN(CC1)C1CC(C1)C#N |(-7.87,-2.27,;-6.78,-1.18,;-7.18,.31,;-6.09,1.39,;-4.6,1,;-4.2,-.49,;-5.29,-1.58,;-4.89,-3.07,;-5.8,-4.31,;-4.89,-5.56,;-3.43,-5.08,;-2.09,-5.85,;-2.09,-7.39,;-.76,-5.08,;-.76,-3.54,;-2.09,-2.77,;-3.43,-3.54,;.57,-2.77,;1.91,-3.54,;.57,-1.23,;1.91,-2,;-3.51,2.08,;-3.91,3.57,;-2.42,3.17,;-2.02,1.69,;-.69,2.46,;-.69,.92,;.64,1.69,;1.98,2.46,;1.98,4,;.64,4.77,;-.69,4,;3.31,4.77,;4.8,4.37,;5.2,5.85,;3.71,6.25,;6.53,6.62,;7.87,7.39,)|
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)NC1(C)CCN(CC1)C1CCOC1
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)S(=O)(=O)NC1(C)CNC1
CN1CC(C)(C1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F
CN1CCC(C)(C1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc2c(N)nc(nn12)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12C3C4C1C1C2C3C41C#N |(-5.54,-1.95,;-4.45,-.86,;-4.85,.63,;-3.76,1.72,;-2.27,1.32,;-1.88,-.17,;-2.96,-1.26,;-2.57,-2.75,;-3.47,-3.99,;-2.57,-5.24,;-1.1,-4.76,;.23,-5.53,;.23,-7.07,;1.57,-4.76,;1.57,-3.22,;.23,-2.45,;-1.1,-3.22,;-1.19,2.41,;-1.58,3.89,;-.1,3.5,;.3,2.01,;1.39,3.1,;2.61,2.15,;3.55,3.37,;2.34,4.31,;2.15,5.84,;1.2,4.62,;2.42,3.68,;3.36,4.89,;4.45,5.98,;5.54,7.07,)|
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)NC12C3C4C5C13C1C2C2C51C42C(C)(C)O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C1CCOCC1)S(C)(=O)=O
CC(=O)N1CCC(CC1)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
COC(=O)N1CCC(C1)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)S(C)(=O)=O
Cc1ccc(cc1-c1cnc2c(N)ncnn12)S(=O)(=O)Nc1ccc(nc1)C(=O)NCC(F)(F)F
CC(C)NCCOC1=NCC(C2=CC3C4=C(C=NC3CC2F)N(C)C(=O)C42CCC2)C=C1NS(=O)(=O)C(C)C
CC(C)NCCOc1ncc(-c2cc3c4c(cnc3cc2F)N(C)C(=O)C42CCC2)cc1NS(C)(=O)=O
CCS(=O)(=O)NC1=CC(C2=CC3C4=C(C=NC3CC2F)N(C)C(=O)C42CCC2)CN=C1OCCNC(C)C
CN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(N4CC(N(C)C)C4)c(NS(C)(=O)=O)c3)cc21
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(CC(C)C)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(CC3COC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(CC3(C)COC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(CC3CC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2N(C)C(=O)C(C)(CC3CC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(CC(C)C)(C#N)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)C(C)(CC(C)C)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)C(C)(CC3CC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(Cc3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NCC(C)(Cc3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2N(CC(C)(Cc3ccccc3)c2c1)C(C)=O)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2N(C)C(=O)C(C)(Cc3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2N(C)CC(C)(Cc3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(Cc3ccccc3)c2c1)C(F)F
CCn1ncc(c1C)-c1nc2c(ncnc2n1CC)-c1ccc2NC(=O)C(C)(CC3CC3)c2c1
CC(C)CC1(C)C(=O)Nc2ncc(cc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1
Cn1cnc2c(ncnc12)-c1ccc2NC(=O)C(C)(Cc3ccccc3)c2c1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(CC3CCO3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(Cc3cncnc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(C3CCOCC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(c2c1)c1ccccc1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(CC)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(CC(C)(C)O)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3CC(C)(C3)OC)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3C[C@H](C)O[C@H](C)C3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3CC(C)(C3)C#N)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3CC4(CCO4)C3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(Nc3ccncc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3CCC4OCCC34)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N[C@H](C)C3CC3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N[C@@H](C)C3CC3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N(C)CCOC)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N(C)C(C)C)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NCCOC)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N[C@H](C)C3CCC3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NCC3(C)CCC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NCC3(CCC3)[N+]#[C-])c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NCC3CCC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NC[C@@H]3CCCO3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NC[C@H]3CCCO3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3CCOCC33CCC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3CCn4nccc4C3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NC3CCOCC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3C[C@H]4C[C@@H]3CO4)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N[C@@H](C)C3CCC3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3CC4(C3)CCOC4)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NC3CCC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NC(C)C)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NCC3CC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N[C@H]3CCOC3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NCC(C)(C)F)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NCC(C)(C)C#N)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NCC(C)(F)F)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)C(C)(N[C@H]3CCOC3)c2c1)-c1cnc(C)nc1 |r|
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1cnc2NC(=O)C(C)(N[C@H]3CCOC3)c2c1 |r|
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)C(C)(N3CC(C)(C3)OC)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)C(C)(NCC(C)(C)F)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)C(C)(NC3CCC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)C(C)(N3CC(C)(C3)C#N)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)C(C)(OCC(C)(C)F)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(OCC3CC3)c2c1)-c1cnc(C)nc1
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1cnc2NC(=O)C(C)(NCC(C)(C)F)c2c1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3C[C@@H](F)[C@H](F)C3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3CC(C)(F)C3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NCC(C)C)c2c1)-c1cnc(C)nc1
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)C(C)(NCC(C)(C)F)c2c1
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)C(C)(NCC(C)(F)F)c2c1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(NCC3(F)COC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(OC(C)C)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(OC3CCC3)c2c1)-c1cnc(C)nc1
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)C(C)(OCC3CC3)c2c1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N[C@@H]3CCOC3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C#N)(N3CC(C)(C3)OC)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3CC(C3)OC)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N3CC(C)(O)C3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C(C)(N[C@H]3C[C@@H](C3)OC)c2c1)-c1cnc(C)nc1 |r,wU:21.22,wD:23.27,(-.93,-7.65,;-2.02,-6.56,;-1.62,-5.07,;-2.52,-3.82,;-1.62,-2.58,;-.15,-3.05,;1.18,-2.28,;2.51,-3.05,;2.51,-4.59,;1.18,-5.36,;-.15,-4.59,;1.18,-.74,;-.15,.03,;-.15,1.57,;1.18,2.34,;1.5,3.84,;3.03,4,;3.8,5.34,;3.66,2.6,;3.66,1.06,;5.16,2.28,;6.2,3.42,;6.11,4.96,;7.65,5.04,;7.73,3.5,;8.68,6.18,;8.21,7.65,;2.51,1.57,;2.51,.03,;-4.06,-3.82,;-4.83,-5.16,;-6.37,-5.16,;-7.14,-3.82,;-8.68,-3.82,;-6.37,-2.49,;-4.83,-2.49,)|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C3(CCCN3C(=O)C3CC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2N(C)C(=O)C3(CCCN3C(=O)C3CC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C3(CCN(C3)C(=O)C3CC3)c2c1)-c1cnc(C)nc1
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)C3(CCCN3C(=O)C3CC3)c2c1
CN1C(=O)C2(CCCN2C(=O)C2CC2)c2cc(ccc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1
CCN1C(=O)C2(CCCN2C(=O)C2CC2)c2cc(ccc12)-c1ncnc2n(CC)c(nc12)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2N(C(C)C)C(=O)C3(CCCN3C(=O)C3CC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C3(CCCN3C(C)C)c2c1)-c1cnc(C)nc1
CC(C)N1CCCC11C(=O)Nc2ccc(cc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C3(CCCN3C(=O)C3CC3)c2c1)C(F)F
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2N(CCN3CCOCC3)C(=O)C3(CCCN3C(=O)C3CC3)c2c1
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2N(CC(C)(C)O)C(=O)C3(CCCN3C(=O)C3CC3)c2c1
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2N(CCO)C(=O)C3(CCCN3C(=O)C3CC3)c2c1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C3(CCCN3S(C)(=O)=O)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C3(CCCN3S(=O)(=O)C(F)(F)F)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2N(C)C(=O)C3(CCCN3S(C)(=O)=O)c2c1)-c1cnc(C)nc1
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)C3(CCN(CC3)C(=O)C3CC3)c2c1
CCN1CCCC11C(=O)Nc2ccc(cc12)-c1ncnc2n(CC)c(nc12)-c1cnc(C)nc1
CCN1CCCC11C(=O)Nc2ccc(cc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)C3(CCCO3)c2c1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C3(CCCO3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C3(CCCN3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C3(CCCC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)C3(CCN(C3)C(C)C)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)OC(Cc3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)OC(C)(CC(C)C)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2c(c1)C(C)(CC(C)C)NS2(=O)=O)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2C(=O)NC(C)(CC(C)C)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2C(=O)NC(Cc3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2C(=O)NC(C)(Cc3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2C(=O)N(C)C(C)(Cc3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2c(CNS2(=O)=O)c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2c(CN(C)S2(=O)=O)c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2C(=O)NCc2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)OC(C)(c3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2oc(=O)n(C(C)c3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2oc(=O)n(Cc3ccccc3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2oc(=O)n(CC3CCOCC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2oc(=O)n(C(C)C3CC3)c2c1)-c1cnc(C)nc1
CCn1c(nc2c(ncnc12)-c1ccc2[nH]c(=O)n(C(C)C3CC3)c2c1)-c1cnc(C)nc1
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2oc(=O)n(C3CCOCC3)c2c1
C[C@@H](Nc1ncnc2[nH]cc(C#N)c12)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@@H](Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
CC(Nc1ncnc(N)c1-c1nn[nH]n1)c1cc2ncc(Cl)n2nc1-c1ccccc1
C[C@H](Nc1ncnc2[nH]ccc12)c1cc2ncc(C)n2nc1-c1ccccc1 |r|
CC[C@@H](Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1ccccc1F |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1cc2ncc(Cl)n2nc1-c1ccccc1F |r|
C[C@H](Nc1ncnc(Cl)c1CCO)c1cc2nccn2nc1-c1ccccc1 |r|
COc1ccc(CN(Cc2ccc(OC)cc2)c2cc([C@H](C)NS(=O)C(C)(C)C)c(nn2)-c2ccccc2C)cc1 |r|
CNc1ncnc(N[C@H](C)c2cc3ncc(Cl)n3nc2-c2ccccc2)c1C#N |r|
C[C@@H](N(C)c1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(Cl)c1 |r|
CC[C@@H](N[S@](=O)C(C)(C)C)c1cc(NCc2ccc(OC)cc2)nnc1-c1cccc(F)c1 |r|
COc1ccc(CN(Cc2ccc(OC)cc2)c2cc([C@@H](C)N[S@](=O)C(C)(C)C)c(Cl)nn2)cc1 |r|
C[C@H](Nc1ncnc(N)c1C(=O)NNC(C)=O)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2nccn2nc1-c1ccccc1 |r|
COc1cncc(c1)-c1ccc2nc(oc2c1)-c1nc2ccc(Br)cc2[nH]1
Cc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1F)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
CCn1ncc2ccc(cc12)-c1ccc2nc(oc2c1)-c1nc2ccccc2[nH]1
C(N1CCN(CC1)c1ccc2nc(oc2c1)C1=Nc2ccccc2[Na]1)c1ccccc1 |t:19|
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1ccc2c(N)ncnc12
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)C(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(-c2ccn(CCO)n2)c2c(N)ncnc12
COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CNC1C(C)C#N)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1cnn(CC(=O)N(C)CC)c1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1-c1cnn(c1)C(C)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)[C@@H](C)CO)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C1)[C@H](C)CO)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCOC1)C(C)n1nc(C)c2cncnc12
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C(=O)NC(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(Cl)c1C1CN(C1)C#N)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(Cl)c1C1CN(C1)C(C)=C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)[C@@H](C)CO)C(C)n1cc(C)c2c(N)ncnc12 |r|
CCCN1CC(C1)c1c(OCC)c(cc(C)c1C#N)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C)c1[C@H]1CNC(=O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C1)[C@@H](C)CO)[C@H](C)n1cc(C)c2c(N)ncnc12 |r|
COC(C)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,w:1.1|
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)C(F)(F)F)C(C)(O)C(F)(F)F
Cc1nc(N)c2ncc(-c3cc(ccc3C)C(C)(O)C(F)(F)F)n2n1
Cc1ccc(cc1-c1cnc2c(N)ncnn12)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)[C@@](C)(O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)[C@](C)(O)C(F)(F)F |r|
Cc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)(F)F
COC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)(F)F
CNC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnc(CO)c1)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnc(CO)c1)[C@@](C)(O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnc(CO)c1)[C@](C)(O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(c1nnnn1C)C(F)(F)F
CNCCC(O)(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(O)(F)F)C(F)(F)F
CNCCC(O)(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(CCNC1CCOCC1)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(CCO)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(C1CC1)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cnc(s1)C1CC1)C(C)(O)C(F)(F)F
COc1cnc(s1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)(F)F
Cc1cc(CNC(=O)c2cn3c(cnc3c(N)n2)-c2cc(ccc2C)C(C)(O)C(F)(F)F)on1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(C)(O)CF
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnn1C)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)[C@@](C)(O)C(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)[C@](C)(O)C(F)F |r|
Cc1ncc(o1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cc(ccc1F)C(N)=O)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cncnc1)C(C)(O)C(F)F
COc1ncccc1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1ncc(s1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnc(C)c1F)C(C)(O)C(F)F
Cc1c(cnn1C)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cnn(C)c1)C(C)(O)C(F)F
Cc1nn(C)cc1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1n[nH]c(C)c1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cn[nH]c1)C(C)(O)C(F)F
Cc1cc(-c2cn3c(cnc3c(N)n2)-c2cc(ccc2C)C(C)(O)C(F)F)n(C)n1
Cc1cnn(C)c1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccn(C)n1)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnc(CO)c1)[C@@](C)(O)C(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccc(CO)nc1)C(C)(O)C(F)F
Cc1n[nH]cc1-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1cc(on1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-n1cncn1)C(C)(O)C(F)F
CCC(O)(C(F)F)c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)-c1ccnn1C
Cc1ccc(cc1-c1cnc2c(N)nc(nn12)-c1ccnn1C)C(C)(O)C(F)F
Cc1ncc(o1)-c1nc(N)c2ncc(-c3cc(ccc3C)C(C)(O)C(F)F)n2n1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)[C@@](C)(O)C(F)(F)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)[C@](C)(O)C(F)(F)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C1(O)CCCC1F |w:21.24,26.30|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NCC(C)(C)O)[C@](C)(O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NCC(C)(C)O)[C@@](C)(O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)N1CCC(CC1)C#N)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)N1CCC(O)CC1)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnn1C)C(O)(CO)C(F)(F)F
Cc1ncc(o1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(O)(CO)C(F)(F)F
CC(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)-c1cnn(C)c1)C(F)(F)F
CC(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)-c1cnc(C)s1)C(F)(F)F
CC(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)-c1cnco1)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(CO)C(F)(F)F
CCOC(=O)C1CC1c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)[C@@](C)(O)C(F)F |r|
CCOC(=O)C1CC1c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)[C@](C)(O)C(F)F |r|
CNC(=O)C1CC1c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
CN1CCN(CC1)C(=O)C1CC1c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C1CC1C(=O)NC(C)(C)CO)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C1CC1CO)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC1(CCOC1)C1CC1)C(O)(C(N)=O)C(F)(F)F
CC1OCCC1(C)NC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC1(CCOCC1)C(F)(F)F)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cnn(c1)C(CC#N)C1CCC1)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cnn2CCCc12)C(C)(O)C(F)(F)F
COC(=O)C1CC(CC#N)(C1)n1cc(cn1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)(F)F |(-4.74,7.66,;-4.34,6.17,;-5.43,5.08,;-6.92,5.48,;-5.03,3.59,;-3.7,2.82,;-4.47,1.49,;-5.8,.72,;-7.29,1.12,;-8.78,1.52,;-5.8,2.26,;-2.98,1.09,;-1.69,1.93,;-.49,.96,;-1.05,-.48,;-2.58,-.4,;.99,1.36,;2.02,.21,;3.53,.54,;4.78,-.37,;6.02,.54,;5.55,2,;4.01,2,;2.98,3.14,;3.37,4.63,;1.47,2.82,;4.78,-1.91,;3.44,-2.68,;3.44,-4.22,;4.78,-4.99,;6.11,-4.22,;6.11,-2.68,;7.44,-1.91,;2.11,-4.99,;.78,-5.76,;1.34,-3.66,;2.88,-6.32,;3.65,-7.66,;4.21,-5.55,;1.55,-7.09,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(C(F)F)C(N)=O
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cnn(c1)C1(CC#N)CN(C1)C(=O)C1CCC1)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cncc(c1)S(C)(=O)=O)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccc(cc1)B(O)O)C(C)(O)C(F)F
Cc1nc(N)c2ncc(-c3cc(ccc3C)C(O)(C(F)F)C(F)F)n2n1
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)N[C@@H](B(O)O)C1CCC1)C(C)(O)C(F)(F)F |r|
CNC(=O)C(O)(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(C(O)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(C(=O)NC1(C)CNC1)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(C(=O)NC12CC(C1)C2)C(F)(F)F
CC(O)c1ccc(cn1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C#CC1CC1)C(C)(O)C(F)(F)F
CN(C)C(=O)Cc1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(CC(=O)N3CCOCC3)cn12)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C1CC(CO)C1)[C@@](C)(O)C(F)(F)F |r,wU:23.26,wD:23.28,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.4,3.8,;5.89,3.4,;7.22,4.17,;8.55,3.4,;5.49,1.91,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-8.44,6.23,;-6.62,7.41,;-7.26,4.4,)|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C1CC(CO)C1)[C@](C)(O)C(F)(F)F |r,wU:23.28,wD:23.26,(.6,4.3,;-.91,4.63,;-1.39,6.09,;-2.89,6.41,;-3.92,5.27,;-3.45,3.8,;-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;1.33,-.77,;1.33,-2.31,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.4,3.8,;5.89,3.4,;7.22,4.17,;8.55,3.4,;5.49,1.91,;-5.43,5.59,;-5.11,7.09,;-5.75,4.08,;-6.94,5.91,;-8.44,6.23,;-6.62,7.41,;-7.26,4.4,)|
CC(=O)NCC(O)(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(CNC(=O)c1ccccc1)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(CNC(=O)CF)C(F)(F)F
CCNC(=O)c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(O)(CNC(C)=O)C(F)(F)F
CC(O)(c1cc(-c2cnc3c(N)nc(cn23)C(F)(F)F)c2ccn(c2c1)S(=O)(=O)c1ccccc1)C(F)(F)F
CC(O)C(O)(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(O)(C(C)(C)O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(C)(C)O)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(C)(C)O)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC12CCC(O)(CC1)C2)C(O)(C(N)=O)C(F)(F)F
CNC(=O)C(C)(C)C(O)(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnn1C)C(O)(C(F)(F)F)C(F)(F)F
CC(O)c1ccc(cn1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(C)(O)C(F)(F)Cl
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC12CCN(CC1)C2)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC12CC(C1)(C2)C#N)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC12CC(CO)(C1)OC2)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NCC1(CCC1)C#N)C(C)(O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NCC(C)(C)O)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC1CCOCC1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NC12CC(F)(C1)C2)C(O)(C(N)=O)C(F)(F)F
CNC(=O)C(O)(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(=O)NC(CC#N)C(F)(F)F)C(F)(F)F
COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4F)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;4.47,.62,;5.55,-.47,;4.86,2.11,;3.77,3.2,;2.29,2.8,;1.89,1.31,;.4,.91,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cn[nH]c1 |(-5.66,.57,;-4.33,1.34,;-3,.57,;-3,-.97,;-1.66,-1.74,;-1.66,-3.28,;-.33,-4.05,;1,-3.28,;2.47,-3.76,;2.87,-5.25,;3.37,-2.51,;4.91,-2.51,;2.47,-1.27,;2.87,.22,;4.33,.7,;4.33,2.24,;5.66,3.01,;2.87,2.71,;1.96,1.47,;.42,1.47,;1,-1.74,;-.33,-.97,;-.33,.57,;-1.66,1.34,;-1.66,2.88,;-.42,3.78,;-.89,5.25,;-2.43,5.25,;-2.91,3.78,)|
COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-3.54,3.12,;-3.07,4.58,;-3.84,5.91,;-1.53,4.58,;-1.05,3.12,;.44,2.72,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cnn(C)c1 |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;4.33,.03,;4.33,1.57,;5.66,2.34,;2.87,2.05,;1.96,.8,;.42,.8,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-.42,3.12,;-.89,4.58,;-2.43,4.58,;-3.2,5.91,;-2.91,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn[nH]c1 |(-5.29,.57,;-3.96,1.34,;-2.62,.57,;-2.62,-.97,;-1.29,-1.74,;-1.29,-3.28,;.05,-4.05,;1.38,-3.28,;2.84,-3.76,;3.24,-5.25,;3.75,-2.51,;5.29,-2.51,;2.84,-1.27,;3.24,.22,;4.73,.62,;5.13,2.11,;4.04,3.2,;4.44,4.68,;2.55,2.8,;2.15,1.31,;.67,.91,;1.38,-1.74,;.05,-.97,;.05,.57,;-1.29,1.34,;-1.29,2.88,;-.04,3.78,;-.52,5.25,;-2.06,5.25,;-2.53,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn[nH]c1 |(-5.29,.57,;-3.96,1.34,;-2.62,.57,;-2.62,-.97,;-1.29,-1.74,;-1.29,-3.28,;.05,-4.05,;1.38,-3.28,;2.84,-3.76,;3.24,-5.25,;3.75,-2.51,;5.29,-2.51,;2.84,-1.27,;3.24,.22,;4.73,.62,;5.13,2.11,;4.04,3.2,;2.55,2.8,;2.15,1.31,;.67,.91,;1.38,-1.74,;.05,-.97,;.05,.57,;-1.29,1.34,;-1.29,2.88,;-.04,3.78,;-.52,5.25,;-2.06,5.25,;-2.53,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;4.47,.62,;5.55,-.47,;4.86,2.11,;3.77,3.2,;2.29,2.8,;1.89,1.31,;.4,.91,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4F)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;1.89,1.31,;2.29,2.8,;3.77,3.2,;4.86,2.11,;4.47,.62,;5.55,-.47,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cn(C)nc1C |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;1.96,.8,;2.87,2.05,;2.47,3.53,;4.33,1.57,;4.33,.03,;5.66,-.74,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-2.91,3.12,;-2.43,4.58,;-3.2,5.91,;-.89,4.58,;-.42,3.12,;1.07,2.72,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn(C)nc1C |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-2.53,3.12,;-2.06,4.58,;-2.83,5.91,;-.52,4.58,;-.04,3.12,;1.29,2.35,)|
CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
CCn1cc(cn1)-c1cc2c3n(-c4c(F)cncc4OC)c(=O)n(C)c3cnc2cc1OC |(-3.07,6.58,;-3.84,5.25,;-3.07,3.91,;-3.54,2.45,;-2.3,1.54,;-1.05,2.45,;-1.53,3.91,;-2.3,0,;-.96,-.77,;-.96,-2.31,;.37,-3.08,;1.84,-2.6,;2.23,-1.11,;1.14,-.02,;-.34,-.42,;1.54,1.46,;3.03,1.86,;4.12,.77,;3.72,-.71,;4.81,-1.8,;6.3,-1.41,;2.74,-3.85,;4.28,-3.85,;1.84,-5.09,;2.23,-6.58,;.37,-4.62,;-.96,-5.39,;-2.3,-4.62,;-2.3,-3.08,;-3.63,-2.31,;-3.63,-.77,;-4.96,0,;-6.3,-.77,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|
COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn(C)nc1C |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-2.8,3.12,;-2.32,4.58,;-3.09,5.91,;-.78,4.58,;-.31,3.12,;1.18,2.72,)|
COc1cc2ncc3n(C)c(=O)n(-c4cnn(C)c4)c3c2cc1-c1cn[nH]c1
COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;1.89,1.31,;2.29,2.8,;3.77,3.2,;4.86,2.11,;4.47,.62,;5.55,-.47,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncc(C)cc4F)c3c2cc1-c1cn[nH]c1 |(-5.29,.57,;-3.96,1.34,;-2.62,.57,;-2.62,-.97,;-1.29,-1.74,;-1.29,-3.28,;.05,-4.05,;1.38,-3.28,;2.84,-3.76,;3.24,-5.25,;3.75,-2.51,;5.29,-2.51,;2.84,-1.27,;3.24,.22,;4.73,.62,;5.13,2.11,;4.04,3.2,;4.44,4.68,;2.55,2.8,;2.15,1.31,;.67,.91,;1.38,-1.74,;.05,-.97,;.05,.57,;-1.29,1.34,;-1.29,2.88,;-.04,3.78,;-.52,5.25,;-2.06,5.25,;-2.53,3.78,)|
CCn1cc(cn1)-c1cc2c3n(-c4cn(C)nc4C)c(=O)n(C)c3cnc2cc1OC |(-2.43,6.58,;-3.2,5.25,;-2.43,3.91,;-2.91,2.45,;-1.66,1.54,;-.42,2.45,;-.89,3.91,;-1.66,0,;-.33,-.77,;-.33,-2.31,;1,-3.08,;2.47,-2.6,;2.87,-1.11,;4.33,-.64,;4.33,.9,;5.66,1.67,;2.87,1.38,;1.96,.13,;.42,.13,;3.37,-3.85,;4.91,-3.85,;2.47,-5.09,;2.87,-6.58,;1,-4.62,;-.33,-5.39,;-1.66,-4.62,;-1.66,-3.08,;-3,-2.31,;-3,-.77,;-4.33,0,;-5.66,-.77,)|
COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4F)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4cnn(C)c4)c3c2cc1-c1cnn(C)c1
CCn1cc(cn1)-c1cc2c3n(-c4ncccc4F)c(=O)n(C)c3cnc2cc1OC |(-4.37,5.91,;-2.83,5.91,;-2.06,4.58,;-2.53,3.12,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-1.29,.67,;.05,-.1,;.05,-1.64,;1.38,-2.41,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;3.75,-3.18,;5.29,-3.18,;2.84,-4.43,;3.24,-5.91,;1.38,-3.95,;.05,-4.72,;-1.29,-3.95,;-1.29,-2.41,;-2.62,-1.64,;-2.62,-.1,;-3.96,.67,;-5.29,-.1,)|
CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(CC)c2)n(C)c1=O |(6.3,-1.41,;4.81,-1.8,;3.72,-.71,;4.12,.77,;3.03,1.86,;1.54,1.46,;1.14,-.02,;-.34,-.42,;2.23,-1.11,;1.84,-2.6,;.37,-3.08,;.37,-4.62,;-.96,-5.39,;-2.3,-4.62,;-2.3,-3.08,;-3.63,-2.31,;-3.63,-.77,;-4.96,0,;-6.3,-.77,;-2.3,0,;-.96,-.77,;-.96,-2.31,;-2.3,1.54,;-1.05,2.45,;-1.53,3.91,;-3.07,3.91,;-3.84,5.25,;-3.07,6.58,;-3.54,2.45,;1.84,-5.09,;2.23,-6.58,;2.74,-3.85,;4.28,-3.85,)|
CCn1cc(cn1)-c1cc2c3n(-c4c(F)cncc4F)c(=O)n(C)c3cnc2cc1OC |(-2.32,6.58,;-3.09,5.25,;-2.32,3.91,;-2.8,2.45,;-1.55,1.54,;-.31,2.45,;-.78,3.91,;-1.55,0,;-.22,-.77,;-.22,-2.31,;1.11,-3.08,;2.58,-2.6,;2.98,-1.11,;4.47,-.71,;5.55,-1.8,;4.86,.77,;3.77,1.86,;2.29,1.46,;1.89,-.02,;.4,-.42,;3.48,-3.85,;5.02,-3.85,;2.58,-5.09,;2.98,-6.58,;1.11,-4.62,;-.22,-5.39,;-1.55,-4.62,;-1.55,-3.08,;-2.89,-2.31,;-2.89,-.77,;-4.22,0,;-5.55,-.77,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncc(C)cc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|
COc1cnccc1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cc(C)[nH]n1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;.25,5.91,;-2.06,4.58,;-2.53,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4csc(C)n4)c3c2cc1-c1cn[nH]c1
COc1cc2ncc3n(C)c(=O)n(-c4ncncc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|
COc1cnccc1-n1c2c(cnc3cc(OC)c(cc23)-c2cn[nH]c2)n(C)c1=O |(6.3,-.07,;4.81,-.47,;3.72,.62,;4.12,2.11,;3.03,3.2,;1.54,2.8,;1.14,1.31,;2.23,.22,;1.84,-1.27,;.37,-1.74,;.37,-3.28,;-.96,-4.05,;-2.3,-3.28,;-2.3,-1.74,;-3.63,-.97,;-3.63,.57,;-4.96,1.34,;-6.3,.57,;-2.3,1.34,;-.96,.57,;-.96,-.97,;-2.3,2.88,;-1.05,3.78,;-1.53,5.25,;-3.07,5.25,;-3.54,3.78,;1.84,-3.76,;2.23,-5.25,;2.74,-2.51,;4.28,-2.51,)|
CCn1cc(cn1)-c1cc2c3n(-c4ccncc4F)c(=O)n(C)c3cnc2cc1OC |(-2.32,6.58,;-3.09,5.25,;-2.32,3.91,;-2.8,2.45,;-1.55,1.54,;-.31,2.45,;-.78,3.91,;-1.55,0,;-.22,-.77,;-.22,-2.31,;1.11,-3.08,;2.58,-2.6,;2.98,-1.11,;1.89,-.02,;2.29,1.46,;3.77,1.86,;4.86,.77,;4.47,-.71,;5.55,-1.8,;3.48,-3.85,;5.02,-3.85,;2.58,-5.09,;2.98,-6.58,;1.11,-4.62,;-.22,-5.39,;-1.55,-4.62,;-1.55,-3.08,;-2.89,-2.31,;-2.89,-.77,;-4.22,0,;-5.55,-.77,)|
CCn1cc(cn1)-c1cc2c3n(-c4ccncc4C)c(=O)n(C)c3cnc2cc1OC |(-4.63,5.91,;-3.09,5.91,;-2.32,4.58,;-2.8,3.12,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-1.55,.67,;-.22,-.1,;-.22,-1.64,;1.11,-2.41,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;3.48,-3.18,;5.02,-3.18,;2.58,-4.43,;2.98,-5.91,;1.11,-3.95,;-.22,-4.72,;-1.55,-3.95,;-1.55,-2.41,;-2.89,-1.64,;-2.89,-.1,;-4.22,.67,;-5.55,-.1,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4F)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cn4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4cnn(c4)C4CCOCC4)c3c2cc1-c1cn[nH]c1
CCn1cc(cn1)-c1cc2c3n(-c4c(C)cncc4F)c(=O)n(C)c3cnc2cc1OC |(-4.63,5.91,;-3.09,5.91,;-2.32,4.58,;-2.8,3.12,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-1.55,.67,;-.22,-.1,;-.22,-1.64,;1.11,-2.41,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;3.48,-3.18,;5.02,-3.18,;2.58,-4.43,;2.98,-5.91,;1.11,-3.95,;-.22,-4.72,;-1.55,-3.95,;-1.55,-2.41,;-2.89,-1.64,;-2.89,-.1,;-4.22,.67,;-5.55,-.1,)|
COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cn(C)nc1C |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-2.8,3.12,;-2.32,4.58,;-3.09,5.91,;-.78,4.58,;-.31,3.12,;1.18,2.72,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccnn4C)c3c2cc1-c1cn[nH]c1 |(-5.66,.57,;-4.33,1.34,;-3,.57,;-3,-.97,;-1.66,-1.74,;-1.66,-3.28,;-.33,-4.05,;1,-3.28,;2.47,-3.76,;2.87,-5.25,;3.37,-2.51,;4.91,-2.51,;2.47,-1.27,;2.87,.22,;1.96,1.47,;2.87,2.71,;4.33,2.24,;4.33,.7,;5.66,-.07,;1,-1.74,;-.33,-.97,;-.33,.57,;-1.66,1.34,;-1.66,2.88,;-.42,3.78,;-.89,5.25,;-2.43,5.25,;-2.91,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4c[nH]nc4C)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.71,.03,;4.71,1.57,;3.24,2.05,;2.34,.8,;.8,.8,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4C#N)c3c2cc1-c1cnn(C)c1 |(-6.1,-.1,;-4.76,.67,;-3.43,-.1,;-3.43,-1.64,;-2.1,-2.41,;-2.1,-3.95,;-.76,-4.72,;.57,-3.95,;2.03,-4.43,;2.43,-5.91,;2.94,-3.18,;4.48,-3.18,;2.03,-1.93,;2.43,-.45,;1.34,.64,;-.14,.24,;1.74,2.13,;3.23,2.53,;4.32,1.44,;3.92,-.05,;5.01,-1.14,;6.1,-2.23,;.57,-2.41,;-.76,-1.64,;-.76,-.1,;-2.1,.67,;-2.1,2.21,;-.85,3.12,;-1.33,4.58,;-2.87,4.58,;-3.64,5.91,;-3.34,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccnc(c4)C#N)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C#N)c3c2cc1-c1cnn(C)c1 |(-6.1,-.1,;-4.76,.67,;-3.43,-.1,;-3.43,-1.64,;-2.1,-2.41,;-2.1,-3.95,;-.76,-4.72,;.57,-3.95,;2.03,-4.43,;2.43,-5.91,;2.94,-3.18,;4.48,-3.18,;2.03,-1.93,;2.43,-.45,;1.34,.64,;1.74,2.13,;3.23,2.53,;4.32,1.44,;3.92,-.05,;5.01,-1.14,;6.1,-2.23,;.57,-2.41,;-.76,-1.64,;-.76,-.1,;-2.1,.67,;-2.1,2.21,;-.85,3.12,;-1.33,4.58,;-2.87,4.58,;-3.64,5.91,;-3.34,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4nccs4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4ccnn4C)c3c2cc1-c1cnn(C)c1 |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;1.96,.8,;2.87,2.05,;4.33,1.57,;4.33,.03,;5.66,-.74,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-.42,3.12,;-.89,4.58,;-2.43,4.58,;-3.2,5.91,;-2.91,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn(C)nn1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;.25,5.91,;-2.06,4.58,;-2.53,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4cn[nH]c4)c3c2cc1-c1cnn(C)c1
CCc1cncc(C)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
COc1cc2ncc3n(C)c(=O)n(-c4cnn(c4)C4CCOCC4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4cncnc4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4cn(C)cn4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4Cl)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|
CCc1cncc(C)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(CC)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-5.38,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
CCn1cc(cn1)-c1cc2c3n(-c4ccncc4)c(=O)n(C)c3cnc2cc1OC
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1ccccc1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1ccccn1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1cc(F)cc(F)c1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1ccccc1S(C)(=O)=O
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1cccc(F)c1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2cccc(F)c2nc1-c1ccccc1S(C)(=O)=O
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2cccc(Cl)c2nc1-c1ccccn1
Nc1nc2cc(ccc2o1)-c1nn(CC2SSCC2OC(=O)c2ccccc2)c2ncnc(N)c12
NC(=O)[C@@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C1CC1 |r|
C[C@H](NC(=O)c1c(N)nn2ccccc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2ccccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)ncc2ccccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3cnn(C)c3)c2cc1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3cnn(C)c3)c2cc1-c1ccccc1 |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(c2)N2CCCC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(NC(C)=O)n2)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N(C)C(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCN(C)C2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCCOC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2Cc3ncccc3C2=O)nc1C |r|
C[C@H](N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C)C(F)(F)F |r|
C[C@H](N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C)C(F)(F)F |r|
C[C@H](N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCOC2=O)nc1C)C(F)(F)F |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N(C)C(C)=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N(C)C(=O)COC)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N(C)C(=O)[C@@H](C)OC)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N(C)C(=O)[C@H](C)OC)nc1C |r|
CCOCC(=O)N(C)c1cccc(Nc2nc(C)c(s2)-c2cc3CN([C@@H](C)C4CC4)C(=O)c3c(c2)S(=O)(=O)NC)n1 |r|
CCN(C(=O)COC)c1cccc(Nc2nc(C)c(s2)-c2cc3CN([C@@H](C)C4CC4)C(=O)c3c(c2)S(=O)(=O)NC)n1 |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCCCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCCOC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCN(C)CC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC(=O)N3CCC[C@H]3C2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCCS2(=O)=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C |r|
CCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N(C)C(=O)COC)nc1C |r|
CCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCCOC2=O)nc1C |r|
CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCOC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCCOC2=O)nc1C |r|
C[C@H](N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCCCC2=O)nc1C)C(F)(F)F |r|
C[C@H](N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C)C(F)(F)F |r|
CNS(=O)(=O)c1cc(cc2CN(C(=O)c12)C(C)(C)C)-c1sc(Nc2cccc(n2)N2CCCOC2=O)nc1C
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C(C)(C)C)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCNCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2C[C@H](C)NCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCN[C@H](C)C2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCN[C@@H](C)C2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2C[C@@H](C)NCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2[C@H](C)CNCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNC(C)(C)C2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC(C)(C)NCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2[C@@H](C)CNCC2=O)nc1C |r|
CCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNCC2=O)nc1C |r|
CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCCNCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNCCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@@H](O)C2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2C[C@H](O)CC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@H](O)C2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2[C@H](CO)CCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2[C@@H](CO)CCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCN(CCO)CC2=O)nc1C |r|
CC(C)NS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CC[C@H](O)C2=O)nc1C |r|
CC[C@H](C)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC)-c1sc(Nc2cccc(n2)N2CCCOC2=O)nc1C |r|
CC[C@H](C)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1sc(Nc2cccc(n2)N2CCNC2=O)nc1C |r|
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C)c3c2cc1-c1c[nH]nc1C |(-5.55,.49,;-4.22,1.26,;-2.89,.49,;-2.89,-1.05,;-1.55,-1.82,;-1.55,-3.36,;-.22,-4.13,;1.11,-3.36,;2.58,-3.84,;3.35,-5.17,;3.48,-2.59,;5.02,-2.59,;2.58,-1.34,;2.98,.14,;1.89,1.23,;2.29,2.72,;3.77,3.12,;4.86,2.03,;4.47,.54,;5.55,-.55,;1.11,-1.82,;-.22,-1.05,;-.22,.49,;-1.55,1.26,;-1.55,2.8,;-2.8,3.71,;-2.32,5.17,;-.78,5.17,;-.31,3.71,;1.03,2.94,)|
COc1cc2ncc3n(C)c(=O)n(-c4cnn(C)c4)c3c2cc1-c1cn(C)nc1C
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)c1ccccc1 |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1CCC(C)(C)N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCC(C)(C)N |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCNc1ncccn1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCNc1ccccn1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCNCc1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCNCc1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N(CCN)Cc1ccccc1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1N(C)CCN |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N(CCN)Cc1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N(C)CCN |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N(C)CCN |r|
C[C@H](NC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1CCCN1CCOCC1 |r|
C[C@H](Nc1ncnc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
CC(CCN)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
CC(CN)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCN |r|
CC(CN)Cn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCCN |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)c2c(=O)n1CCCN |r|
C[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
CNCCCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
CC(C)C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
CC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnn2ccnc12)C1CC1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc2cccnc12)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
CNCCCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc(N)c1C#N)C1CC1 |r|
CNCCCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(C)c1C#N |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc2[nH]cc(Br)c12)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(Cl)c1C#N)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc2scnc12)C1CC1 |r|
CNCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1ncnc2ccc(Cl)nc12)C1CC1 |r|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCN)c1C#N |r|
C[C@H](NC(=O)c1nc(Br)c(N)nc1N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
CC(C)(C)C(=O)NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCNC(C)=O |r|
CC(=O)NCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCNC2CCC2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCNC2COC2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCNC2CCC(F)(F)CC2)n1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN(C)C |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCN(C)C |r|
NC(=O)CCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN(C)Cc1ccccc1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN(C)Cc1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN(C)CC(F)(F)F |r|
Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCC#N)n1 |r|
NC(=O)CCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)CCCn1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)CCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)CCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
NC(=O)CCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1Cl)C1CC1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1ncnc2scnc12)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN |r|
CC(C)NCC(O)CCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCC(O)CNC(C)(C)C |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1cc[nH]n1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1cc[nH]n1 |r|
C[C@H](Nc1ncnn2ccnc12)c1nc2cccc(Cl)c2c(=O)n1Cc1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1cn[nH]c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1ncc[nH]1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1Cc1nc[nH]n1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,wD:1.0,(2.67,1.38,;1.33,.61,;1.33,-.93,;2.67,-1.7,;4,-.93,;5.33,-1.7,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-5.33,1.38,;-5.33,2.92,;-4,3.69,;-4,5.23,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;2.82,3.29,;3.22,4.78,;4.55,5.55,;1.73,5.18,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCO |r|
CC(CCO)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:1.0,27.30,(2.67,1.15,;1.33,.38,;1.33,-1.16,;2.67,-1.93,;4,-1.16,;5.33,-1.93,;5.33,-3.47,;4,-4.24,;4,-5.78,;2.67,-3.47,;1.33,-4.24,;,-5.01,;,1.15,;-1.33,.38,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-5.33,2.69,;-4,3.46,;-4,5,;-2.67,2.69,;-1.33,3.46,;-1.33,5,;,2.69,;1.33,3.46,;1.33,5,;2.67,5.77,;4,5,;5.33,5.78,;4,3.46,;2.67,2.69,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1C[C@H](N)C1 |r,wU:24.26,wD:1.0,26.29,(2.67,1.38,;1.33,.61,;1.33,-.93,;2.67,-1.7,;4,-.93,;5.33,-1.7,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-5.33,1.38,;-5.33,2.92,;-4,3.69,;-4,5.23,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;1.73,5.18,;3.22,4.78,;4.55,5.55,;2.82,3.29,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CCNCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CNCCO1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CCNC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CCCN1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CCCCN1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CC1CCCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1C[C@H](O)C1 |r,wU:25.27,27.30,wD:1.0,(2,1.38,;.67,.61,;.67,-.93,;2,-1.7,;3.33,-.93,;4.67,-1.7,;6,-.93,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,-4.78,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;2.15,3.29,;2.55,4.78,;3.89,5.55,;1.07,5.18,)|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,wD:1.0,(2,1.38,;.67,.61,;.67,-.93,;2,-1.7,;3.33,-.93,;4.67,-1.7,;6,-.93,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;2.15,3.29,;2.55,4.78,;3.89,5.55,;1.07,5.18,)|
Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2[C@@H]2C[C@H](O)C2)n1 |r,wU:26.28,28.31,wD:9.8,(6,-.93,;4.67,-1.7,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;2,-1.7,;.67,-.93,;.67,.61,;2,1.38,;3.54,1.38,;2.77,2.71,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;2.15,3.29,;2.55,4.78,;3.89,5.55,;1.07,5.18,;3.33,-.93,)|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2[C@@H]2C[C@H](O)C2)n1 |r,wU:27.29,29.32,wD:10.9,(6,-.93,;4.67,-1.7,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,-4.78,;2,-1.7,;.67,-.93,;.67,.61,;2,1.38,;3.54,1.38,;2.77,2.71,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;2.15,3.29,;2.55,4.78,;3.89,5.55,;1.07,5.18,;3.33,-.93,)|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2[C@H]2C[C@H](O)C2)n1 |r,wU:27.29,wD:10.9,29.32,(6.67,-.93,;5.33,-1.7,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;2.67,-1.7,;1.33,-.93,;1.33,.61,;2.67,1.38,;4.21,1.38,;3.44,2.71,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-5.33,1.38,;-5.33,2.92,;-6.67,3.69,;-4,3.69,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;1.73,5.18,;3.22,4.78,;4.55,5.55,;2.82,3.29,;4,-.93,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1[C@H]1C[C@H](O)C1 |r,wU:26.28,wD:28.31,1.0,(2.67,1.38,;1.33,.61,;1.33,-.93,;2.67,-1.7,;4,-.93,;5.33,-1.7,;6.67,-.93,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-5.33,1.38,;-5.33,2.92,;-6.67,3.69,;-4,3.69,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;1.73,5.18,;3.22,4.78,;4.55,5.55,;2.82,3.29,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1[C@@H]1C[C@H](O)C1 |r,wU:26.28,28.31,wD:1.0,(2.67,1.38,;1.33,.61,;1.33,-.93,;2.67,-1.7,;4,-.93,;5.33,-1.7,;6.67,-.93,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-5.33,1.38,;-5.33,2.92,;-6.67,3.69,;-4,3.69,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;2.82,3.29,;3.22,4.78,;4.55,5.55,;1.73,5.18,)|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)ccc(Cl)c3c(=O)n2[C@H]2C[C@H](O)C2)n1 |r,wU:27.29,wD:10.9,29.32,(6,-.93,;4.67,-1.7,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,-4.78,;2,-1.7,;.67,-.93,;.67,.61,;2,1.38,;3.54,1.38,;2.77,2.71,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;1.07,5.18,;2.55,4.78,;3.89,5.55,;2.15,3.29,;3.33,-.93,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1[C@H]1C[C@H](O)C1 |r,wU:26.28,wD:28.31,1.0,(2,1.38,;.67,.61,;.67,-.93,;2,-1.7,;3.33,-.93,;4.67,-1.7,;6,-.93,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,-4.78,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;1.07,5.18,;2.55,4.78,;3.89,5.55,;2.15,3.29,)|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2[C@@H]2C[C@H](O)C2)n1 |r,wU:27.29,29.32,wD:10.9,(6.67,-.93,;5.33,-1.7,;5.33,-3.24,;4,-4.01,;4,-5.55,;2.67,-3.24,;1.33,-4.01,;,-4.78,;2.67,-1.7,;1.33,-.93,;1.33,.61,;2.67,1.38,;4.21,1.38,;3.44,2.71,;,1.38,;-1.33,.61,;-2.67,1.38,;-4,.61,;-4,-.93,;-5.33,1.38,;-5.33,2.92,;-6.67,3.69,;-4,3.69,;-2.67,2.92,;-1.33,3.69,;-1.33,5.23,;,2.92,;1.33,3.69,;2.82,3.29,;3.22,4.78,;4.55,5.55,;1.73,5.18,;4,-.93,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1[C@@H]1C[C@H](O)C1 |r,wU:26.28,28.31,wD:1.0,(2,1.38,;.67,.61,;.67,-.93,;2,-1.7,;3.33,-.93,;4.67,-1.7,;6,-.93,;4.67,-3.24,;3.33,-4.01,;3.33,-5.55,;2,-3.24,;.67,-4.01,;-.67,-4.78,;-.67,1.38,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-6,1.38,;-6,2.92,;-4.67,3.69,;-4.67,5.23,;-3.33,2.92,;-2,3.69,;-2,5.23,;-.67,2.92,;.67,3.69,;2.15,3.29,;2.55,4.78,;3.89,5.55,;1.07,5.18,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCC#N |r|
COCCCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
COCCCn1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
COCCCn1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
COCCCn1c(nc2c(F)ccc(F)c2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
COCCCn1c(nc2c(F)ccc(F)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCC#N |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCS(C)(=O)=O |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCC#N)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCC#N)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2CCCCC#N)n1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCC#N |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCCC#N |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCS(C)(=O)=O |r|
CS(=O)(=O)CCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CS(=O)(=O)CCCn1c(nc2c(Cl)ccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CS(=O)(=O)CCCn1c(nc2c(Cl)cc(F)cc2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
NC(=O)CCCn1c(nc2c(Cl)cc(F)cc2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
CS(=O)(=O)CCCCn1c(nc2cccc(Cl)c2c1=O)[C@@H](Nc1nc(N)nc(N)c1C#N)C1CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@H]1CCCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@@H]1CCCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@H]1CCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@@H]1CCNC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN1CCOCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCC(=O)N(C)C |r|
COC(C)(C)CCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
CCOCCn1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
COCC(COC)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
COC[C@H](C)n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCN1CCN(C)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN1CCCCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCCN1CCN(C)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCN1CCCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCN1CCCC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1CCc1ccn[nH]1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@@H](O)CO |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C[C@H](O)CO |r|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NCC(C)(C)O)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CCOCC1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@H]1CC[C@H](O)CC1)C(O)(C(N)=O)C(F)(F)F |r,wU:20.22,wD:17.18,(6.58,6.83,;6.58,5.29,;7.91,4.52,;7.91,2.98,;6.58,2.21,;5.25,2.98,;5.25,4.52,;3.91,5.29,;3.91,6.83,;2.58,7.6,;1.24,6.83,;-.09,7.6,;1.24,5.29,;2.58,4.52,;-.09,4.52,;-.09,2.98,;-1.42,5.29,;-2.76,4.52,;-4.09,5.29,;-5.42,4.52,;-5.42,2.98,;-6.76,2.21,;-4.09,2.21,;-2.76,2.98,;6.58,.67,;8.12,.67,;6.58,-.87,;5.25,-1.64,;7.91,-1.64,;5.04,.67,;3.5,.67,;5.04,-.87,;5.04,2.21,)|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NCC1(CC1)C#N)C(O)(C(N)=O)C(F)(F)F
CC(C)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CCC(F)(F)CC1)C(O)(C(N)=O)C(F)(F)F
CCNC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
C[C@@H](CC#N)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@@H]1CCCOC1)C(O)(C(N)=O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@H]1CCCOC1)C(O)(C(N)=O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@H]1CCOC1)C(O)(C(N)=O)C(F)(F)F |r|
C[C@@H](CO)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC(C)(C)CO)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NCCC#N)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NCC(C)(C)C#N)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NCC1(CCC1)C#N)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@H]1CC[C@](C)(O)CC1)C(O)(C(N)=O)C(F)(F)F |r,wU:17.18,20.22,wD:20.23,(6.58,6.83,;6.58,5.29,;7.91,4.52,;7.91,2.98,;6.58,2.21,;5.25,2.98,;5.25,4.52,;3.91,5.29,;3.91,6.83,;2.58,7.6,;1.24,6.83,;-.09,7.6,;1.24,5.29,;2.58,4.52,;-.09,4.52,;-.09,2.98,;-1.42,5.29,;-2.76,4.52,;-2.76,2.98,;-4.09,2.21,;-5.42,2.98,;-6.67,3.89,;-6.76,2.21,;-5.42,4.52,;-4.09,5.29,;6.58,.67,;8.12,.67,;6.58,-.87,;5.25,-1.64,;7.91,-1.64,;5.04,.67,;3.5,.67,;5.04,-.87,;5.04,2.21,)|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@H]1CC[C@](O)(CC1)C(F)(F)F)C(O)(C(N)=O)C(F)(F)F |r,wU:17.18,20.26,wD:20.22,(6.58,6.83,;6.58,5.29,;7.91,4.52,;7.91,2.98,;6.58,2.21,;5.25,2.98,;5.25,4.52,;3.91,5.29,;3.91,6.83,;2.58,7.6,;1.24,6.83,;-.09,7.6,;1.24,5.29,;2.58,4.52,;-.09,4.52,;-.09,2.98,;-1.42,5.29,;-2.76,4.52,;-2.76,2.98,;-4.09,2.21,;-5.42,2.98,;-6.76,2.21,;-5.42,4.52,;-4.09,5.29,;-6.67,3.89,;-8.08,3.26,;-6.51,5.42,;-7.81,4.92,;6.58,.67,;8.12,.67,;6.58,-.87,;5.25,-1.64,;7.91,-1.64,;5.04,.67,;3.5,.67,;5.04,-.87,;5.04,2.21,)|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)C)C(O)(C(N)=O)C(F)(F)F |r,wU:17.18,wD:20.25,(6.58,6.83,;6.58,5.29,;7.91,4.52,;7.91,2.98,;6.58,2.21,;5.25,2.98,;5.25,4.52,;3.91,5.29,;3.91,6.83,;2.58,7.6,;1.24,6.83,;-.09,7.6,;1.24,5.29,;2.58,4.52,;-.09,4.52,;-.09,2.98,;-1.42,5.29,;-2.76,4.52,;-2.76,2.98,;-4.09,2.21,;-5.42,2.98,;-5.42,4.52,;-4.09,5.29,;-6.76,2.21,;-8.09,2.98,;-6.76,.67,;-5.42,1.44,;6.58,.67,;8.12,.67,;6.58,-.87,;5.25,-1.64,;7.91,-1.64,;5.04,.67,;3.5,.67,;5.04,-.87,;5.04,2.21,)|
CC[C@@H](CC#N)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F |r|
COC(C)(C)CNC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F |r,wU:5.8,wD:2.1,(-8.09,2.98,;-6.76,2.21,;-5.42,2.98,;-4.09,2.21,;-2.76,2.98,;-2.76,4.52,;-4.09,5.29,;-5.42,4.52,;-1.42,5.29,;-.09,4.52,;-.09,2.98,;1.24,5.29,;2.58,4.52,;3.91,5.29,;3.91,6.83,;2.58,7.6,;1.24,6.83,;-.09,7.6,;5.25,4.52,;5.25,2.98,;6.58,2.21,;7.91,2.98,;7.91,4.52,;6.58,5.29,;6.58,6.83,;6.58,.67,;8.12,.67,;6.58,-.87,;5.25,-1.64,;7.91,-1.64,;5.04,.67,;3.5,.67,;5.04,-.87,;5.04,2.21,)|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@]12CC(C1)(C2)C#N)C(O)(C(N)=O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@]12CC(C1)(CC2)C#N)C(O)(C(N)=O)C(F)(F)F |r,wU:17.18,(6.58,6.83,;6.58,5.29,;7.91,4.52,;7.91,2.98,;6.58,2.21,;5.25,2.98,;5.25,4.52,;3.91,5.29,;3.91,6.83,;2.58,7.6,;1.24,6.83,;-.09,7.6,;1.24,5.29,;2.58,4.52,;-.09,4.52,;-.09,2.98,;-1.42,5.29,;-2.76,4.52,;-4.16,5.15,;-5.19,4,;-3.86,3.23,;-4.42,2.67,;-2.92,2.99,;-6.73,4.17,;-8.26,4.33,;6.58,.67,;8.12,.67,;6.58,-.87,;5.25,-1.64,;7.91,-1.64,;5.04,.67,;3.5,.67,;5.04,-.87,;5.04,2.21,)|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@]12CCC(CC1)(CC2)C#C)C(O)(C(N)=O)C(F)(F)F |r|
COC[C@H]1CCN1C(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N1CCC1(C)C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N1CCc2cccnc12)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@@H]1CC2CCC1O2)C(O)(C(N)=O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@H]1CC2CCC1O2)C(O)(C(N)=O)C(F)(F)F |r|
CC(C)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(F)F)C(N)=O
CCNC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(F)F)C(N)=O
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1(CC1)C#C)C(O)(C(F)F)C(N)=O
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CCC(F)(F)CC1)C(O)(C(F)F)C(N)=O
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC(C)(C)CO)C(O)(C(F)F)C(N)=O
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CCOCC1)C(O)(C(F)F)C(N)=O
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NCCC1CCOC1)C(O)(C(F)F)C(N)=O
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NCC(F)(F)F)C(O)(C(N)=O)C(F)(F)F
CC(C)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(CNC(C)=O)C(F)(F)F
CC(C)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(CNC(=O)CF)C(F)(F)F
CC(C)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(CNC(=O)C(C)(C)O)C(F)(F)F
CC(C)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)C(O)(CNC(=O)CC#N)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NCC(O)C(F)(F)F)C(O)(C(N)=O)C(F)(F)F
C\C=C/c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
CCCc1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(F)(F)F)C(O)(C(N)=O)C(F)(F)F
COCC#Cc1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#CC1CC1)C(O)(C(N)=O)C(F)(F)F
CC(C)C#Cc1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#CC(C)(C)O)C(O)(C(N)=O)C(F)(F)F
CC(O)CC#Cc1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#Cc1ccn[nH]1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#Cc1cncn1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#Cc1cnn(C)c1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#Cc1ccccn1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#Cc1cncnc1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#Cc1cnccn1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#Cc1ccc(cc1)C#N)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#Cc1ccc(CC#N)cc1)C(O)(C(N)=O)C(F)(F)F
COc1cc(OC)cc(c1)C#Cc1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#Cc1cccc(F)c1)C(O)(C(N)=O)C(F)(F)F
CC(C)C(C)(O)C#Cc1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#CC1CCOCC1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#CC1(C)CCOCC1)C(O)(C(N)=O)C(F)(F)F
CC1CCC(O)(C#Cc2nc(cnc2N)-c2cc(ccc2C)C(O)(C(N)=O)C(F)(F)F)C1=O
Cc1cnc(cn1)C#Cc1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
COc1cnc(cn1)C#Cc1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C#Cc1cn2ccnc2cn1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccnn1C)C(O)(C(N)=O)C(F)(F)F
Cc1ncc(o1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(C)c1)C(O)(C(N)=O)C(F)(F)F
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(C)n1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnnn1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(CC(F)(F)F)c1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(c1)C(C)(C)C#N)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(c1)C1CCOCC1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(CC2(CC2)C#N)c1)C(O)(C(N)=O)C(F)(F)F
COCCn1cc(cn1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
CNC(=O)c1ccc(cn1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cncnc1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cn1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccc(nc1)C(F)(F)F)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnc(s1)C1CC1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccnc(CO)c1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(CC2CC2)c1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccc(CC#N)cc1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccc(CO)cc1)C(O)(C(N)=O)C(F)(F)F
CNC(=O)c1ccc(cc1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
CC(C)c1cccc(c1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccc(cc1)C(C)(C)O)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccc(cc1)C1CC1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cccn1)C(O)(C(N)=O)C(F)(F)F
CNC(=O)C(O)(c1ccc(C)c(c1)-c1cnc(N)c(n1)-n1cncn1)C(F)(F)F
CN(C)C(=O)C(O)(c1ccc(C)c(c1)-c1cnc(N)c(n1)-n1cncn1)C(F)(F)F
CNC(=O)C(O)(c1ccc(C)c(c1)-c1cnc(N)c(n1)-c1cnn(C)c1)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccc(cc1)B(O)O)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccnn1C)C(O)(C(F)F)C(N)=O
Cc1ncc(o1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(F)F)C(N)=O
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(C)n1)C(O)(C(F)F)C(N)=O
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnc(s1)C1CC1)C(O)(CNC=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cn[nH]c1)C(O)(CNC=O)C(F)(F)F
CC(=O)NCC(O)(c1ccc(C)c(c1)-c1cnc(N)c(n1)-c1cnn(CC(F)(F)F)c1)C(F)(F)F
CC(=O)NCC(O)(c1ccc(C)c(c1)-c1cnc(N)c(n1)-c1cn[nH]c1)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)Nc1ccnn1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C1CN(C1)S(=O)(=O)c1cnn(C)c1)C(O)(C(N)=O)C(F)(F)F
CCOC(=O)[C@H]1C[C@H](C1)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F |r,wU:7.9,5.4,(6.06,-8.44,;4.73,-7.67,;4.73,-6.13,;3.39,-5.36,;2.06,-6.13,;3.39,-3.82,;2.3,-2.73,;3.39,-1.64,;4.48,-2.73,;3.39,-.1,;2.06,.67,;2.06,2.21,;3.39,2.98,;4.73,2.21,;4.73,.67,;6.06,-.1,;.73,2.98,;-.61,2.21,;-1.94,2.98,;-1.94,4.52,;-.61,5.29,;.73,4.52,;2.06,5.29,;-3.28,2.21,;-4.05,3.54,;-4.61,1.44,;-4.61,-.1,;-5.94,2.21,;-2.51,.88,;-1.74,-.46,;-3.84,.11,;-1.17,1.65,)|
CCOC(=O)[C@H]1C[C@@H](C1)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F |r,wU:7.9,wD:5.4,(6.06,-8.44,;4.73,-7.67,;4.73,-6.13,;3.39,-5.36,;2.06,-6.13,;3.39,-3.82,;4.48,-2.73,;3.39,-1.64,;2.3,-2.73,;3.39,-.1,;2.06,.67,;2.06,2.21,;3.39,2.98,;4.73,2.21,;4.73,.67,;6.06,-.1,;.73,2.98,;-.61,2.21,;-1.94,2.98,;-1.94,4.52,;-.61,5.29,;.73,4.52,;2.06,5.29,;-3.28,2.21,;-4.05,3.54,;-4.61,1.44,;-4.61,-.1,;-5.94,2.21,;-2.51,.88,;-1.74,-.46,;-3.84,.11,;-1.17,1.65,)|
CC(C)NC(=O)C1CC(C1)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F |(6.37,-8.24,;5.04,-7.47,;3.71,-8.24,;5.04,-5.93,;3.71,-5.16,;2.37,-5.93,;3.71,-3.62,;4.8,-2.53,;3.71,-1.44,;2.62,-2.53,;3.71,.1,;2.37,.87,;2.37,2.41,;3.71,3.18,;5.04,2.41,;5.04,.87,;6.37,.1,;1.04,3.18,;-.29,2.41,;-1.63,3.18,;-1.63,4.72,;-.29,5.49,;1.04,4.72,;2.37,5.49,;-2.96,2.41,;-3.73,3.74,;-4.3,1.64,;-4.3,.1,;-5.63,2.41,;-2.19,1.08,;-1.42,-.26,;-3.53,.31,;-.86,1.85,)|
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(C2CC2)C(=O)C1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(C(=O)C1)C(C)(C)C)C(O)(C(N)=O)C(F)(F)F
CC(=O)N1CCN(CC1)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(CC1)C(=O)C1CC1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(CC1)c1ccccc1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(CC1)c1ccccn1)C(O)(C(N)=O)C(F)(F)F
Cc1ccccc1N1CCN(CC1)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(C)c(c1)N1CCN(CC1)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(CC1)c1cncs1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(CC1)c1cccc(c1)C(F)(F)F)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(CC1)c1ccccc1C#C)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(CC1)c1ccc(cc1)C#N)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1C[C@H](CO)N(C(=O)C1)c1ccc(O)cc1)C(O)(C(N)=O)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(CCC#N)CC1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN2C(CCC2=O)C1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(CC1)C(=O)c1ccco1)C(O)(C(N)=O)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1CCN(CC1)c1nccnc1C#N)C(O)(C(N)=O)C(F)(F)F
CCOc1ccccc1N1CCN(CC1)c1nc(cnc1N)-c1cc(ccc1C)C(O)(C(N)=O)C(F)(F)F
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc2c(N)nc(cn12)C(F)(F)F |r|
CSc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1cnc2c(N)nc(cn12)C(F)(F)F |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc2c(N)nc(cn12)C(F)(F)F |r|
Nc1nc(cn2c(cnc12)-c1ccc2C(=O)NCc2c1)C(F)(F)F
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(F)(F)F |r|
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)ncnn12
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc2c(N)ncnn12 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc2c(N)ncnn12 |r|
CCN1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(F)(F)F
CCN1Cc2cc(ccc2C1=O)-c1cnc2c(N)ncnn12
CC(N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(F)(F)F)c1ccccc1
CC(N1Cc2cc(ccc2C1=O)-c1cnc2c(N)ncnn12)c1ccccc1
CC(C)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(F)(F)F
CC(C)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)ncnn12
C[C@@H](C1CC1)N1Cc2cc(cc(C(C)=O)c2C1=O)-c1cnc2c(N)ncnn12 |r|
CC(O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1cnc2c(N)ncnn12 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(C)(C)O)-c1cnc2c(N)ncnn12 |r|
C[C@@H](C1CC1)n1cc2cc(cc(C)c2n1)-c1cnc2c(N)ncnn12 |r|
C[C@H](C1CC1)n1cc2cc(cc(C)c2n1)-c1cnc2c(N)ncnn12 |r|
CC(C1CC1)n1nc2ccc(cc2n1)-c1cnc2c(N)ncnn12
CC(C)c1nc2ccc(cn2n1)-c1cnc2c(N)ncnn12
CC(C)c1cn2cc(ccc2n1)-c1cnc2c(N)ncnn12
CC(C)c1cc2cc(ccn2n1)-c1cnc2c(N)ncnn12
CC(C)c1cc2nc(ccn2n1)-c1cnc2c(N)ncnn12
CC(C1CC1)n1cc2cc(cnc2n1)-c1cnc2c(N)ncnn12
CC(C1CC1)n1cc2cc(ncc2n1)-c1cnc2c(N)ncnn12
CC(C1CC1)c1cn2cc(ccc2n1)-c1cnc2c(N)ncnn12
CC(C)NC(=O)c1cn2c(cnc2c(N)n1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O |r|
CC(NC1CCOCC1)NC(=O)c1cn2c(cnc2c(N)n1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O |r|
CC(NC(=O)c1cn2c(cnc2c(N)n1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O)N1CCC1 |r|
CC(NC(=O)c1cn2c(cnc2c(N)n1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O)NC12CC(C1)C2 |r|
CC(NC(=O)c1cn2c(cnc2c(N)n1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O)N1CC(C)(C)C1 |r|
CC(NC(=O)c1cn2c(cnc2c(N)n1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O)N1CC(F)(F)C1 |r|
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(=O)N1CC(O)C1 |r|
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(=O)NC1CC(O)C1 |wU:1.0,(-3.48,1.51,;-2.71,2.84,;-3.48,4.18,;-4.82,4.95,;-3.48,5.72,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-.74,5.55,;5.2,1.3,;5.36,-.23,;6.87,-.55,;7.64,.78,;9.14,1.1,;10.17,-.04,;9.62,2.57,;8.59,3.71,;7.08,3.39,;6.6,1.93,;9.06,5.18,;8.03,6.32,;10.57,5.5,;11.05,6.96,;10.35,8.34,;11.72,9.03,;12.19,10.5,;12.42,7.66,)|
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(=O)NC1CCOCC1O
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc2c(N)nc(cn12)-c1cnc(C)o1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc2c(N)nc(cn12)-c1cnc(C)s1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc2c(N)nc(cn12)-c1cnn(C)c1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc2c(N)nc(cn12)-c1ccnn1C
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc2c(N)nc(cn12)-c1cn[nH]c1C
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc2c(N)nc(cn12)-c1cn[nH]c1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(O)(CO)C(F)(F)F)-c1cnc2c(N)ncnn12 |r,w:15.18|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(O)(CO)C(F)(F)F)-c1cnc2c(N)nc(cn12)C(F)(F)F |r,w:15.18|
CC(C)(C)OC(=O)NCC(C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(F)(F)F
NCC(C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(F)(F)F
CS(=O)(=O)NCC(C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(F)(F)F
CC(=O)NCC(C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(F)(F)F
CNC(=O)C(C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc2c(N)nc(cn12)C(F)(F)F
Nc1nc(cn2c(cnc12)-c1ccc2C(=O)N(Cc2c1)C(CO)C1CC1)C(F)(F)F
Nc1nc(cn2c(cnc12)-c1ccc2C(=O)N(Cc2c1)C(C1CC1)C(O)=O)C(F)(F)F
CCOc1c(cc(Cl)c(F)c1C1CNC(=O)C1)C(C)Nc1ncnc2scnc12
CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@@H](C)Nc1ncnc2scnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@H]1CNC(=O)C1)[C@@H](C)Nc1ncnc2scnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)Nc1ncnc2scnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@H]1CNC(=O)C1)[C@H](C)Nc1ncnc2scnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CNC(=O)C1)C(C)Nc1ncnc2cccnc12
CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@@H](C)Nc1ncnc2cccnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@H]1CNC(=O)C1)[C@@H](C)Nc1ncnc2cccnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)Nc1ncnc2cccnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@H]1CNC(=O)C1)[C@H](C)Nc1ncnc2cccnc12 |r|
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)[C@H](C)Nc1ncnc2cccnc12 |r|
CCNC(=O)c1c(C)c(Cl)cc(C(C)Nc2ncnc3cccnc23)c1-c1cc(F)cc(F)c1
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCN(CC3)C(=O)C=C)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)N3CCC(CC3)NC(=O)C=C)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)Nc3cccc(NC(=O)C=C)c3)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3cccc(NC(=O)C=C)c3)nc12
CCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(Nc2ncc3N(C)C(=O)c4cc(C)ccc4N(C)c3n2)c1
CN1CCN(CC1)S(=O)(=O)c1cccc(Nc2ncc3N(C)C(=O)c4cc(C)ccc4N(C)c3n2)c1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)c4cc(C)ccc4N(C)c3n2)cc1
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(=O)(=O)N3CCC(O)CC3)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)N3CCC(O)CC3)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12
CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3C)S(N)(=O)=O)nc12
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc(N)c(n1)C(=O)NC1CCOCC1 |r|
CC(C)NC(=O)c1nc(cnc1N)-c1ccc2C(=O)N(Cc2c1)[C@@H](C)C1CC1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc(N)c(n1)C(=O)NC1CCOCC1 |r|
CC(C)NC(=O)c1nc(cnc1N)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O
CC(C1CC1)n1cc2cc(cc(C)c2n1)-c1cnc(N)cn1
CC(C1CC1)n1nc2ccc(cc2n1)-c1cnc(N)cn1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc(N)c(n1)-c1ccnn1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc(N)c(n1)-c1cnn(C)c1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc(N)c(n1)-c1cnc(C)s1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc(N)c(n1)-c1c[nH]nc1C
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc(N)c(n1)-c1cn[nH]c1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnc(N)c(n1)-n1cncn1 |r|
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1cnc(N)c(n1)C1CN(C1)C(=O)C1(CC1)C(F)(F)F |r|
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)nc2)CC1
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCNCC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CN(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)CN(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc(F)c(cn2)C2CCNCC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc3CN(C)CCn3n2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(O)CC3)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(O)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cnn(c2)C2CCNCC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCN(CC3)C(=O)CN(C)C)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(CC2)C(=O)CN(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(CC3)C(=O)CN(C)C)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cnn(c2)C2CCC(O)CC2)ncc1F |(10.16,-3.47,;8.83,-2.69,;7.49,-3.47,;8.83,-1.15,;10.16,-.38,;10.16,1.15,;8.83,1.93,;7.49,1.15,;6.16,1.93,;6.16,3.47,;4.83,1.15,;4.83,-.38,;6.16,-1.15,;7.49,-.38,;3.49,-1.15,;2.16,-.38,;.83,-1.15,;-.51,-.38,;-1.84,-1.15,;-1.84,-2.69,;-3.31,-3.17,;-4.21,-1.93,;-3.31,-.68,;-5.7,-1.53,;-6.1,-.04,;-7.59,.36,;-8.67,-.73,;-10.16,-.33,;-8.28,-2.22,;-6.79,-2.62,;.83,-2.69,;2.16,-3.47,;3.49,-2.69,;4.83,-3.47,)|
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(=O)N(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(CC2)C(=O)N(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCN(Cc3c2)C(=O)CN(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CN(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCS(=O)(=O)CC3)c(F)c2)ncc1F
CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C)c3c2)cc1F
CN(C)C1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C)c3c2)cc1F
CCCN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCSCC3)c(F)c2)ncc1F
CN(C)C1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C4CCCC4)c3c2)cc1F
CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C4CCCC4)c3c2)cc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2=O)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCN4CCCC4C3)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)ncc1F
CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCCNCC2)ncc1F
Fc1cnc(Nc2ccc(cn2)N2CCCNCC2)nc1-c1cc(F)c2OCCN(C3CCCC3)c2c1
CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
Fc1cc(cc2N(CCOc12)C1CCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(C)(O)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CO)CC2)ncc1F
OC1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C4CCC4)c3c2)nc1
Fc1cnc(Nc2ccc(cn2)N2CCOCC2)nc1-c1cc(F)c2OCCN(C3CCC3)c2c1
CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(O)CC2)ncc1F
CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CCO)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CCO)CC2)ncc1F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(=O)NCC(C)(C)O)C(C)(O)C(F)(F)F
CNCC[C@@](O)(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F |r|
CNCC[C@](O)(c1ccc(C)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1ccnc(CO)c1)[C@](C)(O)C(F)F |r|
Cc1cc(F)c(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(C)(O)C(F)(F)F
Cc1cnc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(C)(O)C(F)(F)F
CC(O)(c1cc(ccc1F)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F
CC(O)(c1cccc(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F
CC(O)(c1ccc(F)c(c1)-c1cnc2c(N)nc(cn12)C(F)(F)F)C(F)(F)F
Cc1ncc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)C(C)(O)C(F)(F)F
Cc1ncc(o1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(C)(O)CC(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cnn(C)c1)C(O)(CO)C(F)(F)F
Cc1ncc(s1)-c1cn2c(cnc2c(N)n1)-c1cc(ccc1C)C(O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)-c1cnco1)C(O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)[C@@](O)(CO)C(F)(F)F |r|
Cc1ccc(cc1-c1cnc2c(N)nc(cn12)C(F)(F)F)[C@](O)(CO)C(F)(F)F |r|
Cc1cc(F)c(cc1C(=O)NCCC(O)c1ccc(cc1)C(F)(F)F)-c1ccn2nc(N)nc2c1
Cc1cc(F)c(cc1C(=O)NCC[C@@H](O)c1ccc(cc1)C(F)(F)F)-c1ccn2nc(N)nc2c1 |r|
Cc1cc(F)c(cc1C(=O)NCC[C@H](O)c1ccc(cc1)C(F)(F)F)-c1ccn2nc(N)nc2c1 |r|
Cc1cc(F)c(cc1C(=O)NCCC(O)c1ccc(Cl)cn1)-c1ccn2nc(N)nc2c1
Cc1cc(F)c(cc1C(=O)NCC[C@@H](O)c1ccc(Cl)cn1)-c1ccn2nc(N)nc2c1 |r|
Cc1cc(F)c(cc1C(=O)NCC[C@H](O)c1ccc(Cl)cn1)-c1ccn2nc(N)nc2c1 |r|
Cc1cc(F)c(cc1C(=O)NCCC(O)c1ccc(F)cc1)-c1ccn2nc(N)nc2c1
Cc1cc(F)c(cc1C(=O)NCC[C@@H](O)c1ccc(F)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1cc(F)c(cc1C(=O)NCC[C@H](O)c1ccc(F)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(c1ccccc1)C(F)(F)F
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@H](c1ccccc1)C(F)(F)F |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F |r|
Cc1ccc(c(F)c1C(=O)NCCC(O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCCC(C)(C)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCCC1(CC1)c1ccc(F)cc1)-c1ccn2nc(N)nc2c1
C[C@H](C[C@H](O)c1ccc(Cl)cc1)NC(=O)c1c(C)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
C[C@@H](C[C@@H](O)c1ccc(Cl)cc1)NC(=O)c1c(C)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)N[C@@H](CF)C[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)N[C@@H](CF)C[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)N[C@H](CF)C[C@H](O)c1ccc(F)cc1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)N[C@H](CF)C[C@@H](O)c1ccc(F)cc1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)N[C@@H](CF)C[C@H](O)c1ccc(F)cc1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)N[C@@H](CF)C[C@@H](O)c1ccc(F)cc1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)C(O)c1ccc(F)cc1
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)[C@H](O)c1ccc(F)cc1 |r|
Cc1ccc(c(F)c1C(=O)NCCC(O)c1ccc(Cl)c(Cl)c1)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1)-c1ccn2nc(N)nc2c1 |r|
CC(CC(O)c1ccc(F)cc1)NC(=O)c1c(C)ccc(-c2ccn3nc(N)nc3c2)c1F
C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1c(C)ccc(-c2ccn3nc(N)nc3c2)c1F |r|
C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1c(C)ccc(-c2ccn3nc(N)nc3c2)c1F |r|
C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1c(C)ccc(-c2ccn3nc(N)nc3c2)c1F |r|
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1c(C)ccc(-c2ccn3nc(N)nc3c2)c1F |r|
Cc1ccc(c(F)c1C(=O)NCCC(O)C1CCCCC1)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)C1CCCCC1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCC[C@H](O)C1CCCCC1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCCC(O)c1cccc(Cl)c1)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cn1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@H](O)c1ccc(F)cc1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@H](O)c1ccc(F)cc1 |r|
Cc1ccc(c(F)c1C(=O)NCCCC1CCCCC1)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(O)c1ccc(cc1)C(F)(F)F
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@H](O)c1ccc(cc1)C(F)(F)F |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@H](O)c1ccc(cc1)C(F)(F)F |r|
Cc1ccc(c(F)c1C(=O)NCCC(C)(C)c1ccccc1)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCC[C@](C)(O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCC[C@@](C)(O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@H](O)c1cccc(F)c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@H](O)c1cccc(F)c1 |r|
COc1cc(Cl)ccc1[C@H](O)CCNC(=O)c1c(C)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@H](O)c1ccc(F)c(F)c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@H](O)c1ccc(F)c(F)c1 |r|
Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1F)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCC[C@H](O)c1ccc(Cl)cc1F)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@H](O)c1ccccc1F |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@H](O)c1ccccc1F |r|
COc1c(F)cccc1[C@H](O)CCNC(=O)c1c(C)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@H](O)c1c(F)cccc1F |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@H](O)c1c(F)cccc1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC[C@@H](O)c2ccc(Cl)cn2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC[C@H](O)c2ccc(Cl)cn2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCCC2(CC2)c2ccc(F)cc2)c1F
C[C@@](O)(c1ccc(F)cc1)C(F)(F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(c1)C(=O)NCC[C@@H](O)c1ccc(Cl)cc1 |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(c1)C(=O)NCC[C@H](O)c1ccc(Cl)cc1 |r|
CC(CCNC(=O)c1cc(ccc1Cl)-c1ccn2nc(N)nc2c1)c1ccccc1
CC(O)(CCNC(=O)c1cc(ccc1Cl)-c1ccn2nc(N)nc2c1)c1ccccc1
Cc1c(F)cc(cc1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1c(F)cc(cc1C(=O)NCCC(O)c1ccccc1)-c1ccn2nc(N)nc2c1
Cc1c(F)cc(cc1C(=O)NCCC(C)(O)c1ccccc1)-c1ccn2nc(N)nc2c1
Cc1cc(F)c(cc1C(=O)NCC(F)(F)[C@@H](O)c1ccc(F)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1cc(F)c(cc1C(=O)NCC(F)(F)[C@H](O)c1ccc(F)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1c(F)c(F)c(cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
C[C@@H](C[C@@H](O)c1ccc(Cl)cc1)NC(=O)c1cc(c(F)c(F)c1C)-c1ccn2nc(N)nc2c1 |r|
C[C@H](C[C@H](O)c1ccc(Cl)cc1)NC(=O)c1cc(c(F)c(F)c1C)-c1ccn2nc(N)nc2c1 |r|
CC[C@H](C[C@H](O)c1ccc(Cl)cc1)NC(=O)c1cc(c(F)c(F)c1C)-c1ccn2nc(N)nc2c1 |r|
CC[C@@H](C[C@@H](O)c1ccc(Cl)cc1)NC(=O)c1cc(c(F)c(F)c1C)-c1ccn2nc(N)nc2c1 |r|
Cc1c(F)c(F)c(cc1C(=O)NCC(F)(F)[C@H](O)c1ccc(F)cc1)-c1ccn2nc(N)nc2c1 |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(F)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@H](O)c2ccc(F)cc2)c1F |r|
Cc1ccc(c(F)c1C(=O)NCC(F)(F)[C@@H](O)c1ccc(Cl)c(Cl)c1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCC(F)(F)[C@H](O)c1ccc(Cl)c(Cl)c1)-c1ccn2nc(N)nc2c1 |r|
COc1ccc(c(F)c1C(=O)NCC(F)(F)C(O)c1ccc(Cl)c(Cl)n1)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCC(F)(F)C(O)c1ccc(Cl)c(Cl)n1)-c1ccn2nc(N)nc2c1
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NC[C@H](F)[C@@H](O)c2ccc(F)cc2)c1F |r|
COc1c(ccn2nc(N)nc12)-c1ccc(C)c(C(=O)NCC[C@H](O)c2ccc(Cl)cc2)c1F |r|
Cc1ccc(c(F)c1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1C |r|
COc1c(ccn2nc(N)nc12)-c1ccc(C)c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(F)cc2)c1F |r|
COc1c(ccn2nc(N)nc12)-c1ccc(C)c(C(=O)NCC(F)(F)[C@H](O)c2ccc(F)cc2)c1F |r|
Cc1ccc(c(F)c1C(=O)NCC[C@H](O)c1ccc(cc1)C#N)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCCC(O)c1cccc(c1)C#N)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCCC(C)(O)c1ccc(cc1)C#N)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCC[C@H](O)c1ccc(cc1)C#C)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCCC(=O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1
Cc1cc(Cl)c(cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(Cl)c1C(=O)NCC[C@H](O)c1ccc(Cl)cc1 |r|
Cc1cc(C)c(cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
COc1ccc(c(F)c1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
COc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
CCc1ccc(cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC[C@H](O)c2ccc(Cl)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC[C@@H](O)c2ccc(Cl)cc2)c1F |r|
CCc1ccc(c(F)c1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
CCc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1c(F)cc(cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(cc1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCCC(F)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1
COc1ccc(cc1)[C@H](O)C(F)(F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
COc1ccc(cc1)[C@@H](O)C(F)(F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(OC(F)F)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@H](O)c2ccc(OC(F)F)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@@H](O)c2cc(F)cc(F)c2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@H](O)c2cc(F)cc(F)c2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(Cl)c(F)c2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@H](O)c2ccc(Cl)c(F)c2)c1F |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)[C@@H](O)c1ccc(F)c(F)c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)[C@H](O)c1ccc(F)c(F)c1 |r|
Nc1nc2cc(ccn2n1)-c1cccc(C(=O)NCC[C@H](O)c2ccc(Cl)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1cccc(C(=O)NCC[C@@H](O)c2ccc(Cl)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1c(F)ccc(C(=O)NCC[C@H](O)c2ccc(Cl)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1c(F)ccc(C(=O)NCC[C@@H](O)c2ccc(Cl)cc2)c1F |r|
Cc1ccc(c(F)c1C(=O)NCC(F)(F)[C@](C)(O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCC(F)(F)[C@@](C)(O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
C[C@](O)(c1ccc(Cl)cc1)C(F)(F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)C(C)(O)c1ccc(cc1)C(F)(F)F
Cc1ccc(c(F)c1C(=O)NCCC(C)(F)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1
Cc1c(F)cc(cc1C(=O)NCC(F)(F)[C@@H](O)c1ccc(F)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1c(F)cc(cc1C(=O)NCC(F)(F)[C@H](O)c1ccc(F)cc1)-c1ccn2nc(N)nc2c1 |r|
CO[C@H](c1ccc(F)cc1)C(F)(F)CNC(=O)c1c(C)ccc(c1F)-c1ccn2nc(N)nc2c1 |r|
C[C@](O)([C@@H](F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1)c1ccc(F)cc1 |r|
C[C@@](O)([C@H](F)CNC(=O)c1c(Cl)ccc(c1F)-c1ccn2nc(N)nc2c1)c1ccc(F)cc1 |r|
Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)C1CCCC1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NCC[C@H](O)C1CCCC1)-c1ccn2nc(N)nc2c1 |r|
Nc1nc2cc(ccn2n1)-c1ccc(F)c(C(=O)NCCC2(CC2)c2ccc(F)cc2)c1F
Nc1nc2cc(ccn2n1)-c1ccc(F)c(C(=O)NCC[C@@H](O)c2ccc(Cl)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(F)c(C(=O)NCC[C@H](O)c2ccc(Cl)cc2)c1F |r|
Cc1ccc(c(F)c1C(=O)NCC(F)(F)[C@@H](O)C1CC(F)(F)C1)-c1ccn2nc(N)nc2c1
Cc1ccc(c(F)c1C(=O)NCC(F)(F)[C@H](O)C1CC(F)(F)C1)-c1ccn2nc(N)nc2c1
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(Cl)c(Cl)c2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@H](O)c2ccc(Cl)c(Cl)c2)c1F |r|
CCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)[C@@H](O)c1ccc(F)cn1 |r|
COc1ccc(c(F)c1C(=O)NCC(F)(F)[C@@H](O)c1ccc(Cl)c(Cl)c1)-c1ccn2nc(N)nc2c1 |r|
COc1ccc(c(F)c1C(=O)NCC(F)(F)[C@H](O)c1ccc(Cl)c(Cl)c1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)[C@@H](O)c1ccc(F)cn1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)[C@H](O)c1ccc(F)cn1 |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(Cl)c(Cl)n2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)[C@H](O)c2ccc(Cl)c(Cl)n2)c1F |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)C(N)c1ccc(F)cc1
Cc1cc(F)c(c(F)c1C(=O)NCC[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1cc(F)c(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(C)(O)C(=O)c1ccc(F)cc1
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NCC(F)(F)C(=O)c2ccc(F)cc2)c1F
Cc1ccc(c(F)c1C(=O)NCC(F)(F)C(=O)c1ccc(F)cc1)-c1ccn2nc(N)nc2c1
Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC(F)(F)[C@@H](F)c1ccc(F)cc1 |r|
Nc1nc2cc(ccn2n1)-c1ccc(c(C(=O)NCC(F)(F)[C@H](F)c2ccc(F)cc2)c1F)C(F)(F)F |r|
Nc1nc2cc(ccn2n1)-c1ccc(CF)c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(F)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(C(F)F)c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(F)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NC[C@@H](F)[C@H](O)c2ccc(F)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NC[C@@H](F)[C@@H](O)c2ccc(F)cc2)c1F |r|
Nc1nc2cc(ccn2n1)-c1ccc(Cl)c(C(=O)NC[C@H](F)[C@H](O)c2ccc(F)cc2)c1F |r|
Cc1ccc(c(F)c1C(=O)NC[C@H](F)[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Cc1ccc(c(F)c1C(=O)NC[C@@H](F)[C@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
Nc1nc2cc(ccn2n1)-c1ccc(C2CC2)c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(F)cc2)c1F |r|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(c1)C#N |r,THB:21:20:17:14.15,12:14:17:19.20|
Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cnn2ccccc12 |r,THB:5:7:10:12.13,14:13:10:8.7|
[H][C@]12CN(c3nc(ncc3C#N)N3Cc4cn[nH]c4C3)[C@]([H])(CN1c1cccc(F)c1)C2 |r|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1ccc(nc1)C(F)F |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(c1)C(C)(C)O |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccnc1 |r,THB:21:20:17:15.14,12:14:17:19.20|
Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cn[nH]c1 |r|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(OCCF)c1 |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(c1)-n1cccc1 |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(c1)[N+]([O-])=O |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(c1)C1CC1 |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(c1)C1(C)CC1 |r,THB:21:20:17:15.14,12:14:17:19.20|
CNC(=O)c1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cnn(C)c1 |r,TLB:8:10:13:15.16,17:16:13:11.10|
COc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cnn(C)c1 |r,TLB:6:8:11:13.14,15:14:11:9.8|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(c1)S(C)(=O)=O |r,THB:21:20:17:15.14,12:14:17:19.20|
[H][C@]12CN(c3nc(ncc3C#N)-c3cnn(C)c3)[C@]([H])(CN1c1cccc(F)c1)C2 |r|
[H][C@]12CN(c3nc(ncc3C#N)-c3ccnc4[nH]ccc34)[C@]([H])(CN1c1cccc(F)c1)C2 |r|
[H][C@]12CN(c3nc(ncc3C#N)-c3cnc4[nH]ccc4c3)[C@]([H])(CN1c1cccc(F)c1)C2 |r|
Cc1cncc(c1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1 |r,TLB:22:21:18:16.15,13:15:18:20.21|
Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cccc2[nH]ncc12 |r,THB:5:7:10:12.13,14:13:10:8.7|
Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cccc2cnccc12 |r,THB:5:7:13.12:10,14:13:8.7:10|
Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)N1CCc2[nH]ncc2C1 |r,TLB:14:13:10:8.7,5:7:10:12.13|
Fc1cccc(c1)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)N1CCOCC1 |r,TLB:14:13:10:8.7,5:7:10:12.13|
[H][C@]12CN(c3nc(ncc3C#N)-c3cnn(C)c3)[C@]([H])(CN1C(=O)C1CC1)C2 |r|
[H][C@]12CN([C@]([H])(CN1c1nc(ncc1C#N)-c1cnn(C)c1)C2)S(=O)(=O)C1CC1 |r|
[H][C@]12CN(c3nc(ncc3C#N)-c3cnn(C)c3)[C@]([H])(CN1CC1CC1)C2 |r|
[H][C@]12CN(c3nc(ncc3C#N)-c3cnn(C)c3)[C@]([H])(CN1C(=O)NCC)C2 |r|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CF |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C)COC1 |r,THB:21:20:17:15.14,12:14:17:19.20|
COCC1(CC1)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cnn(C)c1 |r,TLB:6:8:11:13.14,15:14:11:9.8|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCC1 |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccs1 |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2C(=O)c1cocn1 |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2C(=O)CC1COC1 |r,THB:21:20:17:15.14,12:14:17:19.20|
CC(C)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cnn(C)c1 |r,TLB:3:6:9:11.12,13:12:9:7.6|
CCCS(=O)(=O)N1C[C@@H]2C[C@H]1CN2c1nc(ncc1C#N)-c1cnn(C)c1 |r,TLB:3:6:9:11.12,13:12:9:7.6|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)C1CCCC1 |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1C[C@@H]2C[C@H]1CN2CCCF |r,THB:21:20:17:15.14,12:14:17:19.20|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1CCN(c2cccc(F)c2)C(C)(C)C1
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1CCN(CC1)c1cccc(F)c1
C[C@@H]1CN(CCN1c1cccc(F)c1)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1CC2CCC(C1)N2c1cccc(F)c1
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
CCC(=O)N1CCN(C[C@H]1C)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CCC1)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1(C)CC1)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CCC1(F)F)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CCCC1)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC11CCCC1)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@H]1C)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1c1cccc(C)c1)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1c1cccc(c1)[N+]([O-])=O)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1c1cccc(c1)C#N)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1c1cccc(c1)S(C)(=O)=O)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#CCO)c(n1)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(cc(n1)-c1cnn(C)c1)C#N |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1cc(nc(n1)-c1cnn(C)c1)C#N |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#N)c(n1)-c1cnn(C)c1 |r|
CC(C)c1cnc(o1)-c1cnc(nc1-c1cnn(C)c1)N1CCN([C@H](C)C1)C(=O)C1CC1 |r|
CC(C)C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1ncc(C#N)c(n1)N1CCN([C@H](CO)C1)C(=O)C1CC1 |r|
CC(C)C#Cc1cnc(nc1-c1cnn(C)c1)N1CCN([C@H](C)C1)C(=O)C1CC1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#C)c(n1)-c1cnn(C)c1 |r|
CSc1cnc(nc1-c1cnn(C)c1)N1CCN([C@H](C)C1)C(=O)C1CC1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C(F)F)c(n1)-c1cnn(C)c1 |r|
CCOC(=O)c1cnc(nc1-c1cnn(C)c1)N1CCN([C@H](C)C1)C(=O)C1CC1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1Cl)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(N)c1C#N)-c1cnn(C)c1 |r|
CC(C)NC(=O)Nc1nc(nc(N2CCN([C@H](C)C2)C(=O)C2CC2)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(NC(C)=O)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(NCC(F)(F)F)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(Cl)c1C#N)-c1cnn(C)c1 |r|
CCc1nc(nc(N2CCN([C@H](C)C2)C(=O)C2CC2)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(NC2CCC2)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(Nc2ccccc2)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(Cl)c(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(C)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(C)c1CCC(F)(F)F |r|
COCCc1nc(nc(-c2cnn(C)c2)c1C#N)N1CCN([C@H](C)C1)C(=O)C1CC1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#N)c(n1)-c1cn(C)nc1C#N |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#N)c(n1)-c1cn(C)nc1N |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn2CCCc12 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(NC(=O)NCC(F)(F)F)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(NC(=O)NC2CCC2)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(NCC2COC2)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(NCCC(F)(F)F)c1C#N)-c1cnn(C)c1 |r|
CC(C)Nc1nc(nc(N2CCN([C@H](C)C2)C(=O)C2CC2)c1C#N)-c1cnn(C)c1 |r|
CC(C)CNc1nc(nc(N2CCN([C@H](C)C2)C(=O)C2CC2)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(OCC(F)(F)F)c1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(nc(N2CC(C2)C(F)(F)F)c1C#N)-c1cnn(C)c1 |r|
CCCc1nc(nc(N2CCN([C@H](C)C2)C(=O)C2CC2)c1C#N)-c1cnn(C)c1 |r|
CCCc1nc(nc(-c2cnn(C)c2)c1C#N)N1CCN([C@H](C)C1)C(=O)C1CC1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(CCC(F)(F)F)c(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(C2CC2)c(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cn(C)nc1C |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(C)c1C |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(c1)C(F)F |r|
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-11.04,11.19,;-10.01,10.05,;-10.33,8.54,;-9,7.77,;-7.85,8.8,;-8.48,10.21,;-6.35,8.48,;-5.87,7.02,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,;1.11,-2.61,;.63,-4.08,)|
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)C2
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)OC2 |(-11.04,11.19,;-10.01,10.05,;-10.33,8.54,;-9,7.77,;-7.85,8.8,;-8.48,10.21,;-6.35,8.48,;-5.87,7.02,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;2.14,-3.76,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)CC2 |(-11.04,11.19,;-10.01,10.05,;-10.33,8.54,;-9,7.77,;-7.85,8.8,;-8.48,10.21,;-6.35,8.48,;-5.87,7.02,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;2.14,-3.76,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CCC(CO)(CC1)OC2
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CCC(O)(CC1)C2
CC(O)C12CC(C1)(CO2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(n1)-c1cnc(C)s1 |(2.14,-3.76,;1.11,-2.61,;-.4,-2.93,;1.58,-1.15,;.68,.1,;1.58,1.34,;1.27,.1,;3.05,.87,;3.05,-.67,;1.11,2.81,;-.4,3.13,;-.72,1.62,;-.08,4.63,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-3.89,5.23,;-2.38,4.91,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-6.35,8.48,;-5.87,7.02,;-7.85,8.8,;-9,7.77,;-10.33,8.54,;-10.01,10.05,;-11.04,11.19,;-8.48,10.21,)|
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(cc(F)c1C)S(=O)(=O)NC12CC(CO)(C1)OC2 |(6.65,1.16,;5.12,1,;4.35,-.34,;2.84,-.02,;2.68,1.51,;4.09,2.14,;1.35,2.28,;.02,1.51,;-1.32,2.28,;-1.32,3.82,;.02,4.59,;1.35,3.82,;2.68,4.59,;-2.65,1.51,;-2.65,-.03,;-3.98,-.8,;-5.32,-.03,;-5.32,1.51,;-6.65,2.28,;-3.98,2.28,;-3.98,3.82,;-3.98,-2.34,;-5.07,-3.43,;-5.47,-1.94,;-2.65,-3.11,;-1.16,-2.71,;.08,-3.61,;1.33,-2.71,;2.82,-3.11,;3.21,-4.59,;.08,-1.94,;.85,-1.24,;-.69,-1.24,)|
Cc1nn(C)cc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1nn(C)cc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-8.84,6.24,;-9,7.77,;-10.33,8.54,;-10.01,10.05,;-11.04,11.19,;-8.48,10.21,;-7.85,8.8,;-6.35,8.48,;-5.87,7.02,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,;1.11,-2.61,;.63,-4.08,)|
Cc1nn(C)cc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C)(C1)OC2 |(-8.84,6.24,;-9,7.77,;-10.33,8.54,;-10.01,10.05,;-11.04,11.19,;-8.48,10.21,;-7.85,8.8,;-6.35,8.48,;-5.87,7.02,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1nn(C)cc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)CC2 |(-8.84,6.24,;-9,7.77,;-10.33,8.54,;-10.01,10.05,;-11.04,11.19,;-8.48,10.21,;-7.85,8.8,;-6.35,8.48,;-5.87,7.02,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;2.14,-3.76,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1nn(C)cc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)OC2 |(-8.84,6.24,;-9,7.77,;-10.33,8.54,;-10.01,10.05,;-11.04,11.19,;-8.48,10.21,;-7.85,8.8,;-6.35,8.48,;-5.87,7.02,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;2.14,-3.76,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1nn(C)cc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)C2
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cccnc1)S(=O)(=O)NC12CCC(O)(CC1)C2
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccncc1)S(=O)(=O)NC12CCC(O)(CC1)C2
Cc1cc(ccn1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CCC(CO)(CC1)OC2
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccnc(c1)C#N)S(=O)(=O)NC12CCC(CO)(CC1)OC2
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccncc1F)S(=O)(=O)NC12CCC(CO)(CC1)OC2
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccnc(c1)C(F)(F)F)S(=O)(=O)NC12CCC(CO)(CC1)OC2
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccncc1C#N)S(=O)(=O)NC12CCC(CO)(CC1)OC2
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CC(CO)(C1)C2
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CC(CO)(C1)CC2 |(-6.42,4.41,;-4.92,4.09,;-4.44,2.62,;-2.94,2.3,;-1.91,3.45,;-2.38,4.91,;-3.89,5.23,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-6.35,8.48,;-5.87,7.02,;-7.85,8.8,;-8.48,10.21,;-10.01,10.05,;-10.33,8.54,;-9,7.77,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;2.14,-3.76,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CCC(O)(CC1)C2
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CC(CO)(C1)OC2 |(-6.42,4.41,;-4.92,4.09,;-4.44,2.62,;-2.94,2.3,;-1.91,3.45,;-2.38,4.91,;-3.89,5.23,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-6.35,8.48,;-5.87,7.02,;-7.85,8.8,;-8.48,10.21,;-10.01,10.05,;-10.33,8.54,;-9,7.77,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;2.14,-3.76,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-6.42,4.41,;-4.92,4.09,;-4.44,2.62,;-2.94,2.3,;-1.91,3.45,;-2.38,4.91,;-3.89,5.23,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-6.35,8.48,;-5.87,7.02,;-7.85,8.8,;-8.48,10.21,;-10.01,10.05,;-10.33,8.54,;-9,7.77,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,;1.11,-2.61,;.63,-4.08,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CC(C1)(C2)C(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CC(O)(C1)CC2 |(-3.81,3.24,;-3.81,1.7,;-5.14,.93,;-5.14,-.61,;-3.81,-1.38,;-2.47,-.61,;-2.47,.93,;-1.14,1.7,;-1.14,3.24,;.19,4.01,;1.53,3.24,;2.86,4.01,;1.53,1.7,;.19,.93,;2.86,.93,;3.02,-.6,;4.52,-.93,;5.3,.4,;4.27,1.55,;-3.81,-2.92,;-5.3,-2.52,;-4.9,-4.01,;-2.47,-3.69,;-1.14,-2.92,;.1,-3.83,;1.35,-2.92,;2.68,-3.69,;.11,-2.15,;.87,-1.46,;-.67,-1.46,)|
CNC(=O)OCC12CC(C1)(C2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(n1)-n1cncn1
CNC(=O)C12CC(C1)(C2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(n1)-n1cncn1
CN(C)C(=O)C12CC(C1)(C2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(n1)-n1cncn1
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CC(C1)(C2)C(=O)N1CCC1
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CC(C1)(C2)C(=O)NCC(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1nn[nH]n1)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1ccc(cc1-c1cnc(N)c(n1)-c1nn[nH]n1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-3.81,3.24,;-3.81,1.7,;-5.14,.93,;-5.14,-.61,;-3.81,-1.38,;-2.48,-.61,;-2.48,.93,;-1.14,1.7,;-1.14,3.24,;.19,4.01,;1.53,3.24,;2.86,4.01,;1.53,1.7,;.19,.93,;2.86,.93,;3.02,-.6,;4.53,-.92,;5.3,.41,;4.27,1.56,;-3.81,-2.92,;-4.9,-4.01,;-5.3,-2.52,;-2.48,-3.69,;-1.14,-2.92,;.1,-3.83,;1.35,-2.92,;.11,-2.15,;.87,-1.46,;-.67,-1.46,;2.84,-3.32,;4.33,-3.72,)|
CCOC(=O)NC12CC(C1)(C2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(n1)-n1cncn1
CC(=O)NC12CC(C1)(C2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(n1)-n1cncn1
Cc1ccc(cc1-c1cnc(N)c(n1)-n1nccn1)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1ccc(cc1-c1cnc(N)c(n1)-n1nccn1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-3.81,3.24,;-3.81,1.7,;-5.14,.93,;-5.14,-.61,;-3.81,-1.38,;-2.48,-.61,;-2.48,.93,;-1.14,1.7,;-1.14,3.24,;.19,4.01,;1.53,3.24,;2.86,4.01,;1.53,1.7,;.19,.93,;2.86,.93,;3.02,-.6,;4.53,-.92,;5.3,.41,;4.27,1.56,;-3.81,-2.92,;-4.9,-4.01,;-5.3,-2.52,;-2.48,-3.69,;-1.14,-2.92,;.1,-3.83,;1.35,-2.92,;.11,-2.15,;.87,-1.46,;-.67,-1.46,;2.84,-3.32,;4.33,-3.72,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1ccnn1)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1ccc(cc1-c1cnc(N)c(n1)-n1ccnn1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-3.81,3.24,;-3.81,1.7,;-5.14,.93,;-5.14,-.61,;-3.81,-1.38,;-2.48,-.61,;-2.48,.93,;-1.14,1.7,;-1.14,3.24,;.19,4.01,;1.53,3.24,;2.86,4.01,;1.53,1.7,;.19,.93,;2.86,.93,;3.02,-.6,;4.53,-.92,;5.3,.41,;4.27,1.56,;-3.81,-2.92,;-4.9,-4.01,;-5.3,-2.52,;-2.48,-3.69,;-1.14,-2.92,;.1,-3.83,;1.35,-2.92,;.11,-2.15,;.87,-1.46,;-.67,-1.46,;2.84,-3.32,;4.33,-3.72,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ncn(C)n1)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ncn(C)n1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-3.81,3.24,;-3.81,1.7,;-5.14,.93,;-5.14,-.61,;-3.81,-1.38,;-2.48,-.61,;-2.48,.93,;-1.14,1.7,;-1.14,3.24,;.19,4.01,;1.53,3.24,;2.86,4.01,;1.53,1.7,;.19,.93,;2.86,.93,;4.27,1.56,;5.3,.41,;4.53,-.92,;5.15,-2.33,;3.02,-.6,;-3.81,-2.92,;-4.9,-4.01,;-5.3,-2.52,;-2.48,-3.69,;-1.14,-2.92,;.1,-3.83,;1.35,-2.92,;.11,-2.15,;.87,-1.46,;-.67,-1.46,;2.84,-3.32,;4.33,-3.72,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1nccn1)S(=O)(=O)NC12CC(CO)(C1)C2
Cc1ccc(cc1-c1cnc(N)c(n1)-n1nccn1)S(=O)(=O)NC12CC(C1)NC2 |(-3.84,2.96,;-3.82,1.42,;-5.12,.54,;-5.12,-1,;-3.78,-1.77,;-2.45,-1,;-2.45,.54,;-1.12,1.31,;-1.12,2.85,;.22,3.62,;1.55,2.85,;2.89,3.62,;1.55,1.31,;.22,.54,;2.89,.54,;3.05,-.99,;4.55,-1.31,;5.32,.03,;4.29,1.17,;-3.78,-3.31,;-4.87,-4.39,;-5.27,-2.91,;-2.45,-4.08,;-1.12,-3.31,;.13,-4.21,;1.38,-3.31,;.13,-2.54,;.9,-1.84,;-.64,-1.84,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CC(C1)NC2 |(6.26,8.53,;5.23,7.38,;3.72,7.7,;2.69,6.56,;3.17,5.1,;4.67,4.77,;5.7,5.92,;7.21,5.6,;7.69,4.13,;9.19,3.81,;10.22,4.96,;11.73,4.64,;9.75,6.42,;8.24,6.74,;10.78,7.57,;12.31,7.41,;12.94,8.81,;11.79,9.84,;10.46,9.07,;2.14,3.95,;.99,4.98,;3.28,2.92,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)NC2 |(14.44,9.13,;12.94,8.81,;11.79,9.84,;10.46,9.07,;10.78,7.57,;12.31,7.41,;9.75,6.42,;8.24,6.74,;7.21,5.6,;7.69,4.13,;9.19,3.81,;10.22,4.96,;11.73,4.64,;5.7,5.92,;4.67,4.77,;3.17,5.1,;2.69,6.56,;3.72,7.7,;5.23,7.38,;6.26,8.53,;2.14,3.95,;.99,4.98,;3.28,2.92,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnc(s1)C1CC1)S(=O)(=O)NC12CC(C1)NC2 |(6.26,8.53,;5.23,7.38,;3.72,7.7,;2.69,6.56,;3.17,5.1,;4.67,4.77,;5.7,5.92,;7.21,5.6,;7.69,4.13,;9.19,3.81,;10.22,4.96,;11.73,4.64,;9.75,6.42,;8.24,6.74,;10.78,7.57,;10.46,9.07,;11.79,9.84,;12.94,8.81,;12.31,7.41,;14.44,9.13,;15.59,10.16,;15.91,8.66,;2.14,3.95,;.99,4.98,;3.28,2.92,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnco1)S(=O)(=O)NC12CC(C1)NC2 |(-.55,4.18,;-1.58,3.04,;-3.08,3.36,;-4.11,2.21,;-3.64,.75,;-2.13,.43,;-1.1,1.57,;.4,1.25,;.88,-.21,;2.39,-.53,;3.42,.61,;4.92,.29,;2.94,2.08,;1.43,2.4,;3.97,3.22,;5.5,3.06,;6.13,4.47,;4.98,5.5,;3.65,4.73,;-4.67,-.4,;-5.81,.63,;-3.53,-1.43,;-5.7,-1.54,;-5.22,-3.01,;-6.13,-4.25,;-5.22,-5.5,;-5.54,-4.25,;-3.76,-5.02,;-3.76,-3.48,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ncn(C)n1)S(=O)(=O)NC12CC(C1)NC2 |(6.26,8.53,;5.23,7.38,;3.72,7.7,;2.69,6.56,;3.17,5.1,;4.67,4.77,;5.7,5.92,;7.21,5.6,;7.69,4.13,;9.19,3.81,;10.22,4.96,;11.73,4.64,;9.75,6.42,;8.24,6.74,;10.78,7.57,;12.31,7.41,;12.94,8.81,;11.79,9.84,;11.95,11.38,;10.46,9.07,;2.14,3.95,;.99,4.98,;3.28,2.92,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cccn1)S(=O)(=O)NC12CC(C1)NC2 |(6.26,8.53,;5.23,7.38,;3.72,7.7,;2.69,6.56,;3.17,5.1,;4.67,4.77,;5.7,5.92,;7.21,5.6,;7.69,4.13,;9.19,3.81,;10.22,4.96,;11.73,4.64,;9.75,6.42,;8.24,6.74,;10.78,7.57,;12.31,7.41,;12.94,8.81,;11.79,9.84,;10.46,9.07,;2.14,3.95,;.99,4.98,;3.28,2.92,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1ccnn1)S(=O)(=O)NC12CC(C1)NC2 |(6.26,8.53,;5.23,7.38,;3.72,7.7,;2.69,6.56,;3.17,5.1,;4.67,4.77,;5.7,5.92,;7.21,5.6,;7.69,4.13,;9.19,3.81,;10.22,4.96,;11.73,4.64,;9.75,6.42,;8.24,6.74,;10.78,7.57,;12.31,7.41,;12.94,8.81,;11.79,9.84,;10.46,9.07,;2.14,3.95,;.99,4.98,;3.28,2.92,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,)|
CC(C)N1CC2(CC1C2)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(n1)-n1cncn1 |(3.42,-4.97,;1.88,-4.97,;1.11,-6.3,;1.11,-3.63,;-.43,-3.63,;-.91,-2.17,;.34,-1.26,;1.58,-2.17,;.36,-2.57,;-2.24,-1.4,;-3.78,-1.4,;-4.87,-2.49,;-5.27,-1,;-3.78,.14,;-5.12,.91,;-5.12,2.45,;-3.82,3.33,;-3.84,4.87,;-2.45,2.45,;-2.45,.91,;-1.12,3.22,;-1.12,4.76,;.22,5.53,;1.55,4.76,;2.89,5.53,;1.55,3.22,;.22,2.45,;2.89,2.45,;3.05,.92,;4.55,.6,;5.32,1.93,;4.29,3.08,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnc(s1)C1CC1)S(=O)(=O)NC12CC(CO)(C1)OC2 |(-5.31,3.36,;-5.29,1.82,;-6.59,.94,;-6.59,-.6,;-5.25,-1.37,;-3.92,-.6,;-3.92,.94,;-2.58,1.71,;-2.58,3.25,;-1.25,4.02,;.08,3.25,;1.42,4.02,;.08,1.71,;-1.25,.94,;1.42,.94,;1.58,-.59,;3.08,-.91,;3.85,.43,;2.82,1.57,;5.39,.59,;6.79,-.04,;6.63,1.49,;-5.25,-2.91,;-6.34,-4,;-6.74,-2.51,;-3.92,-3.68,;-2.58,-2.91,;-1.34,-3.81,;-.09,-2.91,;1.39,-3.31,;1.79,-4.79,;-1.34,-2.14,;-.57,-1.44,;-2.11,-1.44,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cccn1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-3.81,3.65,;-3.81,2.11,;-5.14,1.34,;-5.14,-.2,;-3.81,-.97,;-2.48,-.2,;-2.48,1.34,;-1.14,2.11,;-1.14,3.65,;.19,4.42,;1.53,3.65,;2.86,4.42,;1.53,2.11,;.19,1.34,;2.86,1.34,;3.02,-.19,;4.53,-.51,;5.3,.82,;4.27,1.97,;-3.81,-2.51,;-5.3,-2.11,;-4.9,-3.6,;-2.48,-3.28,;-.99,-2.88,;.26,-3.79,;1.5,-2.88,;.27,-2.11,;1.03,-1.42,;-.51,-1.42,;2.84,-3.65,;4.17,-4.42,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccn(C)n1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-4.55,3.37,;-4.55,1.83,;-5.88,1.01,;-5.88,-.53,;-4.55,-1.3,;-3.21,-.53,;-3.21,1.01,;-1.88,1.78,;-1.88,3.32,;-.55,4.09,;.79,3.32,;2.12,4.09,;.79,1.78,;-.55,1.01,;2.12,1.01,;2.28,-.52,;3.79,-.84,;4.56,.49,;6.09,.65,;3.53,1.63,;-4.55,-2.84,;-6.04,-2.44,;-5.64,-3.93,;-3.21,-3.61,;-1.67,-3.61,;-.77,-2.37,;.69,-2.84,;-.19,-4.01,;.69,-4.38,;-.77,-4.86,;1.92,-3.77,;3.15,-4.7,)|
Cc1ncc(o1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-11.04,11.19,;-10.01,10.05,;-10.33,8.54,;-9,7.77,;-7.85,8.8,;-8.48,10.21,;-6.35,8.48,;-5.87,7.02,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,;1.11,-2.61,;.63,-4.08,)|
CN(C)c1ncc(cn1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-12.85,11.23,;-12.37,9.76,;-13.4,8.62,;-10.86,9.44,;-10.39,7.98,;-8.88,7.66,;-7.85,8.8,;-8.33,10.27,;-9.83,10.59,;-6.35,8.48,;-5.87,7.02,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,;1.11,-2.61,;.63,-4.08,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnco1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-6.42,4.41,;-4.92,4.09,;-4.44,2.62,;-2.94,2.3,;-1.91,3.45,;-2.38,4.91,;-3.89,5.23,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-6.35,8.48,;-5.87,7.02,;-7.85,8.8,;-9,7.77,;-10.33,8.54,;-10.01,10.05,;-8.48,10.21,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,;1.11,-2.61,;.63,-4.08,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ncccn1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-6.42,4.41,;-4.92,4.09,;-4.44,2.62,;-2.94,2.3,;-1.91,3.45,;-2.38,4.91,;-3.89,5.23,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-6.35,8.48,;-5.87,7.02,;-7.85,8.8,;-8.88,7.66,;-10.39,7.98,;-10.86,9.44,;-9.83,10.59,;-8.33,10.27,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,;1.11,-2.61,;.63,-4.08,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ncco1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-6.42,4.41,;-4.92,4.09,;-4.44,2.62,;-2.94,2.3,;-1.91,3.45,;-2.38,4.91,;-3.89,5.23,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-6.35,8.48,;-5.87,7.02,;-7.85,8.8,;-8.48,10.21,;-10.01,10.05,;-10.33,8.54,;-9,7.77,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,;1.11,-2.61,;.63,-4.08,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccncn1)S(=O)(=O)NC12CC(C1)(CC2)C#N |(-6.42,4.41,;-4.92,4.09,;-4.44,2.62,;-2.94,2.3,;-1.91,3.45,;-2.38,4.91,;-3.89,5.23,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-6.35,8.48,;-5.87,7.02,;-7.85,8.8,;-8.33,10.27,;-9.83,10.59,;-10.86,9.44,;-10.39,7.98,;-8.88,7.66,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,;1.11,-2.61,;.63,-4.08,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnco1)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnco1)S(=O)(=O)NC12CC(O)(C1)CC2 |(-6.42,4.41,;-4.92,4.09,;-4.44,2.62,;-2.94,2.3,;-1.91,3.45,;-2.38,4.91,;-3.89,5.23,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-6.35,8.48,;-5.87,7.02,;-7.85,8.8,;-9,7.77,;-10.33,8.54,;-10.01,10.05,;-8.48,10.21,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnco1)S(=O)(=O)NC12CC(CO)(C1)C2
CSc1nccc(n1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(C2)C#N
CSc1nccc(n1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(O)(C1)CC2 |(-12.93,7.15,;-11.42,6.83,;-10.39,7.98,;-10.86,9.44,;-9.83,10.59,;-8.33,10.27,;-7.85,8.8,;-8.88,7.66,;-6.35,8.48,;-5.87,7.02,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;1.27,.1,;3.05,-.67,;3.05,.87,)|
CSc1nccc(n1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)C2
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccncn1)S(=O)(=O)NC12CC(C1)(C2)C#N
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccncn1)S(=O)(=O)NC12CC(O)(C1)CC2 |(-6.42,4.41,;-4.92,4.09,;-4.44,2.62,;-2.94,2.3,;-1.91,3.45,;-2.38,4.91,;-3.89,5.23,;-4.36,6.7,;-3.33,7.84,;-3.81,9.31,;-5.32,9.63,;-5.79,11.09,;-6.35,8.48,;-5.87,7.02,;-7.85,8.8,;-8.33,10.27,;-9.83,10.59,;-10.86,9.44,;-10.39,7.98,;-8.88,7.66,;-.4,3.13,;-.72,1.62,;-.08,4.63,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccncn1)S(=O)(=O)NC12CC(CO)(C1)C2
Cc1nn(C)cc1-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(CC2)C#N |(1.52,-1.5,;2.49,-.3,;4.03,-.39,;4.58,1.05,;6.07,1.45,;3.38,2.02,;2.09,1.18,;.76,1.95,;-.58,1.18,;-1.91,1.95,;-1.91,3.49,;-.58,4.26,;.76,3.49,;2.09,4.26,;-3.24,1.18,;-3.24,-.36,;-4.58,-1.13,;-5.91,-.36,;-5.91,1.18,;-4.58,1.95,;-4.58,3.49,;-4.58,-2.67,;-6.07,-2.27,;-5.67,-3.76,;-3.49,-3.76,;-2,-3.36,;-.76,-4.26,;.49,-3.36,;-.67,-2.59,;.01,-1.89,;-1.53,-1.89,;1.98,-3.76,;3.46,-4.15,)|
Cc1nn(C)cc1-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)OC2 |(-4.51,12.58,;-3.1,11.96,;-1.77,12.73,;-.62,11.7,;.89,12.02,;-1.25,10.29,;-2.78,10.45,;-3.81,9.31,;-3.33,7.84,;-4.36,6.7,;-5.87,7.02,;-6.35,8.48,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.08,4.63,;-.72,1.62,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;-.4,-2.93,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(C1)(CC2)C#N |(.89,12.02,;-.62,11.7,;-1.77,12.73,;-3.1,11.96,;-2.78,10.45,;-1.25,10.29,;-3.81,9.31,;-3.33,7.84,;-4.36,6.7,;-5.87,7.02,;-6.35,8.48,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.08,4.63,;-.72,1.62,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.27,.1,;3.05,-.67,;3.05,.87,;1.11,-2.61,;.63,-4.08,)|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)OC2 |(.89,12.02,;-.62,11.7,;-1.77,12.73,;-3.1,11.96,;-2.78,10.45,;-1.25,10.29,;-3.81,9.31,;-3.33,7.84,;-4.36,6.7,;-5.87,7.02,;-6.35,8.48,;-5.32,9.63,;-5.79,11.09,;-3.89,5.23,;-2.38,4.91,;-1.91,3.45,;-2.94,2.3,;-4.44,2.62,;-4.92,4.09,;-6.42,4.41,;-.4,3.13,;-.08,4.63,;-.72,1.62,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;-.4,-2.93,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CC(CO)(C1)C2
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnc(s1)C1CC1)S(=O)(=O)NC12CC(CO)(C1)OC2 |(-6.42,4.41,;-4.92,4.09,;-4.44,2.62,;-2.94,2.3,;-1.91,3.45,;-2.38,4.91,;-3.89,5.23,;-4.36,6.7,;-5.87,7.02,;-6.35,8.48,;-5.32,9.63,;-5.79,11.09,;-3.81,9.31,;-3.33,7.84,;-2.78,10.45,;-3.1,11.96,;-1.77,12.73,;-.62,11.7,;-1.25,10.29,;.89,12.02,;2.03,13.05,;2.35,11.54,;-.4,3.13,;-.08,4.63,;-.72,1.62,;1.11,2.81,;1.58,1.34,;.68,.1,;1.58,-1.15,;1.11,-2.61,;-.4,-2.93,;1.27,.1,;3.05,-.67,;3.05,.87,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)S(=O)(=O)NC12CCN(CC1)C2
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC12CCN(CC1)C2
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ncn(C)n1)S(=O)(=O)NC12CCN(CC1)C2
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cccn1)S(=O)(=O)NC12CCN(CC1)C2
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnco1)S(=O)(=O)NC12CCN(CC1)C2
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccncn1)S(=O)(=O)NC12CCN(CC1)C2
Clc1ccc(Cn2cc(cn2)-c2ccnc(c2)-c2ncc([nH]2)-c2ccccc2)cc1
C(c1ccccc1)n1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
N#Cc1ccccc1Cn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
Clc1ccccc1Cn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
Cn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
Cc1n[nH]cc1-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CCn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
Cc1n[nH]c(C)c1-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CCCn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
Cn1nccc1-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
Cn1nc(cc1-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1)C(F)(F)F
Cn1ccnc1-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CC(=O)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
C1CN(CCO1)c1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
COc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
N#Cc1cccc(Cn2cc(cn2)-c2ccnc(c2)-c2ncc([nH]2)-c2ccccc2)c1
Clc1cccc(Cn2cc(cn2)-c2ccnc(c2)-c2ncc([nH]2)-c2ccccc2)c1
C1CC(CCN1)n1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
C(Cn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1)N1CCOCC1
COC(=O)c1ccccc1Cn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
COC(=O)c1cccc(Cn2cc(cn2)-c2ccnc(c2)-c2ncc([nH]2)-c2ccccc2)c1
COC(=O)c1ccc(Cn2cc(cn2)-c2ccnc(c2)-c2ncc([nH]2)-c2ccccc2)cc1
OC(=O)c1ccccc1Cn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
OC(=O)c1cccc(Cn2cc(cn2)-c2ccnc(c2)-c2ncc([nH]2)-c2ccccc2)c1
OC(=O)c1ccc(Cn2cc(cn2)-c2ccnc(c2)-c2ncc([nH]2)-c2ccccc2)cc1
CN1CCN(CC1)c1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CS(=O)(=O)c1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
C1CN(CCO1)c1ccc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
N#Cc1ccc(Cn2cc(cn2)-c2ccnc(c2)-c2ncc([nH]2)-c2ccccc2)cc1
CS(=O)(=O)n1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CCS(=O)(=O)n1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
O=S(=O)(C1CC1)n1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
C1CC(CCO1)n1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
NC(=O)Cn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CN(C)C(=O)Cn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
O=C(Cn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1)N1CCCC1
O=C(Cn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1)N1CCOCC1
N#CCCn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
NC(=O)CCn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
O=S(=O)(C1CCCC1)n1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CCOC(=O)CCn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
N#CCn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
OC(=O)CCn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CNC(=O)CCn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
O=C(CCn1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1)NC1CCCC1
C1CC(CO1)n1cc(cn1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
COc1cncc(c1)-c1ccnc(c1)-c1cnc(N)[nH]1
CCNc1ncc([nH]1)-c1cc(ccn1)-c1cncc(OC)c1
CCCCCNc1ncc([nH]1)-c1cc(ccn1)-c1cncc(OC)c1
COc1cncc(c1)-c1ccnc(c1)-c1cnc(NCC(C)C)[nH]1
COc1cncc(c1)-c1ccnc(c1)-c1cnc(NCC2CCC2)[nH]1
CCCCNc1nnc([nH]1)-c1cc(ccn1)-c1cncc(OC)c1
COc1cncc(c1)-c1ccnc(c1)-c1nnc(NC(C)C)[nH]1
CNc1nnc([nH]1)-c1cc(ccn1)-c1cncc(OC)c1
COc1cncc(c1)-c1ccnc(c1)-c1nnc(Nc2ccccc2)[nH]1
COc1cncc(c1)-c1ccnc(c1)-c1nnc([nH]1)-c1ccccc1
COc1cncc(c1)-c1ccnc(c1)-c1nnc[nH]1
COc1cncc(c1)-c1ccnc(c1)-c1nnc(C)[nH]1
COc1cncc(c1)-c1ccnc(c1)-c1cnc([nH]1)-c1ccccc1
COc1cncc(c1)-c1ccnc(c1)-c1nc(C)c(NC(C)=O)[nH]1
COc1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
COc1cncc(c1)-c1ccnc(c1)-c1ncc(C)[nH]1
COc1cncc(c1)-c1ccnc(c1)-c1nc2CCCc2[nH]1
COc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)C(F)(F)F
CCOC(=O)c1nc([nH]c1C(F)(F)F)-c1cc(ccn1)-c1cncc(OC)c1
COc1cncc(c1)-c1ccnc(c1)-c1nc(C(O)=O)c([nH]1)C(F)(F)F
COc1cncc(c1)-c1ccnc(c1)-c1nc(C)c([nH]1)-c1ccccc1
CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc([nH]1)-c1cc(ccn1)-c1cncc(O)c1
COc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)C(C)C
CCc1cnc([nH]1)-c1cc(ccn1)-c1cncc(OC)c1
COc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)C1CC1
COc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccn1
COc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)C(C)(C)C
COc1cncc(c1)-c1ccnc(n1)-c1nc2ccccc2[nH]1
COc1cncc(c1)-c1cc(ncn1)-c1nc2ccccc2[nH]1
Cc1cnc([nH]1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
FC(F)(F)c1cnc([nH]1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CCc1cnc([nH]1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CC(C)c1cnc([nH]1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
C1CC1c1cnc([nH]1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
C1CC(C1)c1cnc([nH]1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1nc([nH]c1C1CC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CCc1[nH]c(nc1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CS(=O)(=O)c1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)C1CCCCC1
Cc1cnc([nH]1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
CS(=O)(=O)c1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)C(F)(F)F
CCc1cnc([nH]1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
CC(C)c1cnc([nH]1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
CS(=O)(=O)c1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)C1CC1
CS(=O)(=O)c1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)C1CCC1
CS(=O)(=O)c1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)C1CCCC1
CS(=O)(=O)c1cncc(c1)-c1ccnc(c1)-c1ncc(Cc2ccccc2)[nH]1
Cc1nc([nH]c1C1CC1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
CCc1[nH]c(nc1C)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
CS(=O)(=O)c1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccn1
Cc1[nH]c(nc1C(O)=O)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
CS(=O)(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C2CCCCC2)c(N)[nH]1
Cc1[nH]c(nc1C(F)F)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1CO)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1CCO)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CC(O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1 |w:1.1|
COC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CC(C)(C)OC(=O)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(NC(=O)OC(C)(C)C)c1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(N)c1
CCS(=O)(=O)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
COCC(=O)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
O=C(Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1)c1ccccc1
Clc1ccccc1C(=O)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
Clc1cccc(c1)C(=O)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
Clc1ccc(cc1)C(=O)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
O=C(Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1)c1cccc(c1)C#N
O=C(Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1)c1ccc(cc1)C#N
O=C(Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1)C1CCCC1
CCNC(=O)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CCOC(=O)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
C(Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1)C1CCOCC1
C1CC(CCO1)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CN1CCC(CC1)Nc1cncc(c1)-c1ccnc(c1)-c1ncc([nH]1)-c1ccccc1
CN1CCC(CNc2cncc(c2)-c2ccnc(c2)-c2ncc([nH]2)-c2ccccc2)CC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(NCC2CCOCC2)c1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(NCC2CCOC2)c1
CC(Nc1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1)c1ccccc1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CC[C@H](O)C1 |r|
CN1CCN(CC1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCOCC1
CN(C)CCCNC(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCN(CC1)C(N)=O
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCCC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CC(O)C1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CC(C1)C#N
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCCC(O)C1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CC[C@@H](F)C1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC2(CCOCC2)CC1
CC(C)NC(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
CN1CCC(CC1)N1CCN(CC1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
CC(=O)N1CCN(CC1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
COCCCCCNC(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
CN(C)[C@@H]1CCN(C1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)NCC1CCOCC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(O)C1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)NCCC1CCOCC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC2(COC2)CC1
COCCNC(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)NCC1CCCO1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(=O)C1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(CCO)C1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(C1)c1ccccn1
CN1CCC2(CN(C2)C(=O)c2cncc(c2)-c2ccnc(c2)-c2nc(C)c(C)[nH]2)C1=O
C[C@H]1CN(C[C@@H]1CO)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(F)(F)C1
COC1CCN(C1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
COC(=O)C1CCN(C1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N[C@@H]1CCOC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(O)CC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(C1)C(F)(F)F
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1C2CCC1CC2 |TLB:19:21:23.24:26.27|
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(C)(O)C1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(C1)c1ccccc1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(C1)c1ccncc1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(C1)C#N
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC1C(F)(F)F
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CC(C)(C)C1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(CC1)c1ccccc1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CC[C@H]2CCCC[C@@H]2C1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCCC(C1)c1ccccc1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(Cc2ccccc2)CC1
CC1CCCCN1C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)NCc1ccccc1
CN(Cc1ccccc1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
CN(C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1)c1ccccc1
C[C@H](NC(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1)c1ccccc1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(O)(Cc2ccccc2)CC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC(C1)c1cnccn1
CCN(C)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
COC1CN(C1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
CN1CCCN(CC1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
CN(CCO)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)NCC1CC1
CN(CC#N)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
COCCN(C)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
CN(CC1(CO)CC1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)NCC1CCC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)NCC1CCCC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)NC(C)(C)C
CN(CCCO)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
CCCN(C)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
CCC1CCN(C1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C(=O)N1CCC2(CC2)C1
CO[C@@H]1CCN(C1)C(=O)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1 |r|
Cc1nc([nH]c1C)-c1cc(ccn1)C1=CCCN(C1)S(=O)(=O)c1ccccc1 |t:15|
Cc1nc([nH]c1C)-c1cc(ccn1)C1CCCN(C1)S(=O)(=O)c1ccccc1
CC(=O)N1CCC(=CC1)c1ccnc(c1)-c1nc(C)c(C)[nH]1 |c:6|
CC(=O)N1CCC=C(C1)c1ccnc(c1)-c1nc(C)c(C)[nH]1 |c:6|
Cc1nc([nH]c1C)-c1cc(ccn1)C1=CCCN(C1)S(C)(=O)=O |t:15|
Cc1nc([nH]c1C)C1=CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1 |t:8|
Cc1nc([nH]c1C)-c1cc(ccn1)C1=CCCN(C1)C(=O)c1ccccc1 |t:15|
Cc1nc([nH]c1C)-c1cc(ccn1)C1=CCCN(Cc2ccccc2)C1 |t:15|
Cc1nc([nH]c1C)-c1cc(ccn1)C1=CCCN(Cc2ccc(Cl)cc2)C1 |t:15|
Cc1nc([nH]c1C)-c1cc(ccn1)C1=CCCN(CC2CCOCC2)C1 |t:15|
CC(=O)N1CC=C(C1)c1ccnc(c1)-c1nc(C)c(C)[nH]1 |c:5|
Cc1nc([nH]c1C)-c1cc(ccn1)C1=CCN(C1)S(C)(=O)=O |t:15|
Cc1nc([nH]c1C)-c1cc(ccn1)C1=CCN(Cc2ccccc2)C1 |t:15|
Cc1nc([nH]c1C)-c1cc(ccn1)C1=CCN(Cc2ccc(Cl)cc2)C1 |t:15|
Cc1nc([nH]c1C)-c1cc(ccn1)C1=CCN(CC2CCOCC2)C1 |t:15|
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CC[C@@H](O)C1 |r|
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CC[C@H](O)C1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(Nc2ccccc2)c1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(Cl)c1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C1=CCN(C1)C(=O)OC(C)(C)C |t:22|
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C1=CCNC1 |t:22|
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C1=CCN(C1)S(C)(=O)=O |t:22|
CC(=O)N1CC=C(C1)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1 |c:5|
COC(=O)N1CC=C(C1)c1cncc(c1)-c1ccnc(c1)-c1nc(C)c(C)[nH]1 |c:6|
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)C1CCN(C1)S(C)(=O)=O |w:23.26|
CCOC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1C(=O)NC1CCCC1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1C(=O)N1CCOCC1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1C(=O)N1CCC(O)C1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1C(=O)N1CC[C@H](O)C1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1C(=O)N1CC(O)C1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1C(N)=O)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
CNC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
CN(C)C(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
CCNC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
CC(C)NC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1C(=O)NC1CCOCC1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1C(=O)N[C@H]1CCOC1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1C(=O)N[C@@H]1CCOC1)-c1cc(ccn1)-c1cncc(c1)S(C)(=O)=O
Cc1[nH]c(nc1C(O)=O)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)NC1CCCC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CC(C)N(C)C(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CCN(C)C(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CN(C1CCOC1)C(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)N1CC(C1)C(F)(F)F)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
COC1CN(C1)C(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)N1CC(C1)NC(=O)OC(C)(C)C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)NC1CCCCC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)NC(C)(C)C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)N1CC(C)(C)C1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CC(C)NC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)NC1CCOCC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)N[C@@H]1CCOC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)N[C@H]1CCOC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)NCc1ccccc1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
C[C@H](NC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1)c1ccccc1
C[C@@H](NC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1)c1ccccc1
COC[C@H](NC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1)c1ccccc1
COC[C@@H](NC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1)c1ccccc1
CC(NC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1)c1ccccc1
Cc1[nH]c(nc1C(=O)NC1C2CC3CC(C2)CC1C3)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1 |TLB:8:9:11:13.14.15,THB:13:12:9:14.16.15,13:14:9:11.12.18,16:17:11:13.14.15,16:14:11:17.9.18,(-3.83,-5.75,;-3.16,-7.14,;-3.89,-8.5,;-2.83,-9.61,;-1.44,-8.94,;-1.65,-7.42,;-.53,-6.35,;.94,-6.79,;-.9,-4.86,;.22,-3.79,;1.06,-2.32,;1.06,-.92,;2.43,-.23,;3.8,-.92,;3.8,-2.32,;2.43,-3.02,;2.96,-3.79,;1.59,-3.1,;1.59,-1.7,;-3.11,-11.12,;-4.56,-11.64,;-4.83,-13.16,;-3.66,-14.15,;-2.21,-13.64,;-1.93,-12.12,;-6.28,-13.68,;-6.56,-15.19,;-8.01,-15.71,;-9.18,-14.71,;-8.91,-13.2,;-7.46,-12.68,;-10.08,-12.2,;-11.53,-12.72,;-12.71,-11.72,;-12.43,-10.21,;-10.98,-9.69,;-9.81,-10.68,)|
Cc1[nH]c(nc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CC1CSC(CC1NC=O)c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1C(=O)NC1Cc2ccccc2C1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1CNC1CCOCC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1CNC1CCCC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CC(C)NCc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1CN[C@H]1CCOC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1CN[C@@H]1CCOC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CNCc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
CN(C)Cc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
COCCNCc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
COCCCNCc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1CN1CCOCC1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1nc([nH]c1C)-c1cc(ccn1)-c1cnn(Cc2ccc(Cl)cc2)c1
Cc1[nH]c(nc1C(=O)N[C@H]1CCOC1)-c1cc(ccn1)-c1cnn(Cc2ccc(Cl)cc2)c1 |r|
CNC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1cnn(Cc2ccc(Cl)cc2)c1
Cc1[nH]c(nc1C#N)-c1cc(ccn1)-c1cnn(Cc2ccc(Cl)cc2)c1
Cc1cnc([nH]1)-c1cc(ccn1)-c1cncc(c1)S(=O)(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:22.24,25.28,wD:25.29,(-.8,7.04,;-.03,5.7,;-.93,4.46,;-.03,3.21,;1.44,3.69,;1.44,5.23,;2.77,2.92,;2.77,1.38,;4.1,.61,;5.44,1.38,;5.44,2.92,;4.1,3.69,;4.1,-.93,;5.44,-1.7,;5.44,-3.24,;4.1,-4.01,;2.77,-3.24,;2.77,-1.7,;1.44,-4.01,;.67,-5.34,;2.21,-5.34,;.1,-3.24,;-1.23,-4.01,;-1.23,-5.55,;-2.56,-6.32,;-3.9,-5.55,;-5.44,-5.55,;-4.3,-7.04,;-3.9,-4.01,;-2.56,-3.24,)|
Cc1c[nH]c(n1)-c1cc(ccn1)-c1cncc(c1)S(=O)(=O)NC1CCC(O)CC1 |(9.34,4.93,;9.34,3.39,;8.09,2.48,;8.57,1.02,;10.11,1.02,;10.58,2.48,;11.01,-.23,;10.38,-1.63,;11.29,-2.88,;12.82,-2.72,;13.45,-1.31,;12.54,-.06,;10.66,-4.29,;11.57,-5.53,;10.94,-6.94,;9.41,-7.1,;8.51,-5.85,;9.13,-4.45,;6.97,-6.01,;6.81,-4.48,;7.13,-7.55,;5.44,-6.18,;4.54,-4.93,;3.01,-5.09,;2.1,-3.84,;2.73,-2.44,;1.82,-1.19,;4.26,-2.28,;5.16,-3.52,)|
CS(=O)(=O)N1CCC(C1)c1c[nH]c(n1)-c1cc(ccn1)-c1cnn(Cc2ccc(Cl)cc2)c1
CC(=O)N1CCC(C1)c1c[nH]c(n1)-c1cc(ccn1)-c1cnn(Cc2ccc(Cl)cc2)c1
Clc1ccc(Cn2cc(cn2)-c2ccnc(c2)-c2nc(c[nH]2)C2CCN(C2)S(=O)(=O)c2ccccc2)cc1
Clc1ccc(Cn2cc(cn2)-c2ccnc(c2)-c2nc(c[nH]2)C2CCNC2)cc1
COc1ccccc1Nc1nc([nH]c1C)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
Cc1[nH]c(nc1Nc1ccnnc1)-c1cc(ccn1)-c1cncc(c1)N1CCOCC1
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1ccnc(c1)-c1nc(C)c(C)[nH]1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c(C)[nH]1 |r|
CC(C)NC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1ccc2C(=O)N(Cc2c1)[C@@H](C)C1CC1 |r|
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1ccnc(c1)-c1nc(C(=O)NC2CCOCC2)c(C)[nH]1
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1ccnc(c1)-c1nc(C(=O)N(C)C)c(C)[nH]1
CNC(=O)c1nc([nH]c1C)-c1cc(ccn1)-c1ccc2C(=O)N(Cc2c1)[C@@H](C)C1CC1
CNC(=O)c1[nH]c(nc1C)-c1cc(ccn1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O
CC(C)NC(=O)c1[nH]c(nc1C)-c1cc(ccn1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)NC1CCOCC1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)NC12CC(C1)C2
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)N1CC(F)(F)C1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)N1CC(O)C1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)NC1CC(O)C1 |wU:1.0,(-1.09,-2.64,;-.32,-1.3,;-1.09,.03,;-2.42,.8,;-1.09,1.57,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.65,1.41,;4.92,1.78,;3.38,1.78,;4.92,3.32,;6.46,1.78,;7.59,-2.84,;7.59,-4.38,;8.93,-5.15,;10.26,-4.38,;10.26,-2.84,;8.93,-2.07,;11.59,-2.07,;13,-2.7,;14.03,-1.55,;15.56,-1.72,;13.26,-.22,;11.75,-.54,;13.89,1.19,;15.42,1.35,;12.98,2.43,;13.61,3.84,;13.06,5.28,;14.49,5.83,;15.12,7.24,;15.04,4.39,)|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)N(C(C)C(F)(F)F)C(=O)c1[nH]cnc1C
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)NC12CC(C1)(CC2)C#N |wU:1.0,(-1.72,22.17,;-1.4,20.66,;.06,20.19,;1.57,20.51,;1.09,19.04,;-2.55,19.63,;-4.05,19.95,;-4.82,18.62,;-6.33,18.3,;-6.81,16.83,;-5.77,15.69,;-4.27,16.01,;-3.79,17.47,;-2.39,18.1,;-1.05,17.33,;-3.24,14.86,;-2.09,15.89,;-2.21,13.72,;-4.38,13.83,;-8.31,16.51,;-9.34,17.66,;-10.85,17.34,;-11.32,15.87,;-10.29,14.73,;-8.79,15.05,;-10.77,13.26,;-12.23,12.79,;-12.23,11.25,;-13.48,10.34,;-10.77,10.77,;-9.86,12.02,;-10.29,9.31,;-11.32,8.16,;-8.79,8.99,;-8.31,7.52,;-9.22,6.28,;-8.31,5.03,;-8.62,6.28,;-6.85,5.51,;-6.85,7.05,;-8.79,3.57,;-9.26,2.1,)|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)NC1CC2(COC2)C1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)N1CCC1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)NC1CCC1
CCC(C)NC(=O)c1[nH]c(nc1C)-c1cc(ccn1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)NC1CN(C)C1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)NC1CCOC1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)N(C)C1CCOCC1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)N1CC2(COC2)C1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(N)=O
CCNC(=O)c1[nH]c(nc1C)-c1cc(ccn1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O
CCN(C)C(=O)c1[nH]c(nc1C)-c1cc(ccn1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O
CC(C)N(C)C(=O)c1[nH]c(nc1C)-c1cc(ccn1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)S(C)(=O)=O
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nc(C)c([nH]1)C(=O)N(C)C1CCC1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnnc(c1)-c1nc(C)c(C)[nH]1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnnc(c1)-c1ccn[nH]1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1cnnc(c1)-c1cc(C)n[nH]1
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1cnnc(c1)-c1cc(C)n[nH]1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1nnc(C)[nH]1 |r|
C[C@@H](C1CC1)N1Cc2cc(ccc2C1=O)-c1ccnc(c1)-c1nnc(C)[nH]1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1cc(C)n[nH]1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1ccn[nH]1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1ncc(C)[nH]1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccnc(c1)-c1ncc[nH]1
C[C@@H](C1CC1)N1Cc2cc(cc(C(O)CO)c2C1=O)-c1ccnc(c1)-c1nc(C)c(C)[nH]1 |r,w:12.13|
C[C@@H](C1CC1)N1Cc2cc(cc(C(O)CO)c2C1=O)-c1cnnc(c1)-c1nc(C)c(C)[nH]1 |r,w:12.13|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=N)=O)-c1ccnc(c1)-c1nc(C)c(C)[nH]1 |r|
C[C@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=N)=O)-c1ccnc(c1)-c1nc(C)c(C)[nH]1 |r|
CN=S(C)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1ccnc(c1)-c1nc(C)c(C)[nH]1 |r|
CN=S(C)(=O)c1cc(cc2CN([C@H](C)C3CC3)C(=O)c12)-c1ccnc(c1)-c1nc(C)c(C)[nH]1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(N=S(C)(C)=O)c2C1=O)-c1ccnc(c1)-c1ncc(C)[nH]1 |r|
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)CCO)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(F)c1C1CN(C[C@@H](C)O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(F)c1C1CN(CC(C)(C)O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1C1CN(C1)C(O)C(F)(F)F)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1C1CN(C1)C(=O)C1C=NOC1C)C(C)n1nc(C)c2c(N)ncnc12 |c:19|
CCOc1c(cc(Cl)c(F)c1C1CN(C[C@H](O)F)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CN(C[C@@H](O)F)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)[C@@H](C)n1nc(C(F)F)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CN(CCO)C1)[C@@H](C)n1nc(C(F)F)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CN(CC(C)(C)O)C1)[C@H](C)n1nc(C(F)F)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)[C@H](C)n1nc(C(F)F)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1C1CN(C[C@@H](C)O)C1)[C@H](C)n1nc(C(F)F)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1-c1ccc(nc1)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)N1CC(O)C1)C(C)Nc1ncnc(N)c1C(C)=N
COc1c(CC2CC2)c(C)c(Cl)cc1C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(Cl)c(C)c1-c1cn(C)nc1C)C(C)n1nc(C)c2c(N)ncnc12 |(1.16,.7,;-.17,-.07,;-1.51,.7,;-2.84,-.07,;-2.84,-1.61,;-4.18,-2.38,;-5.51,-1.61,;-6.84,-2.38,;-5.51,-.07,;-6.84,.7,;-4.18,.7,;-4.18,2.24,;-2.93,3.15,;-3.41,4.61,;-2.5,5.86,;-4.95,4.61,;-5.42,3.15,;-6.89,2.67,;-1.51,-2.38,;-.17,-1.61,;-1.51,-3.92,;-2.63,-4.97,;-1.98,-6.36,;-2.75,-7.7,;-.45,-6.17,;.71,-7.18,;.71,-8.72,;2.17,-6.68,;2.46,-5.17,;1.3,-4.16,;-.16,-4.66,)|
CCOc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)CCO)C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(Cl)c(C)c1-c1cnn(CC(=O)NC)c1)C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(Cl)c(C)c1-c1cnn(CC(=O)N(C)C)c1)C(C)Nc1ncnc(N)c1C(C)=N
COc1c(cc(Cl)c(C)c1-c1cnn(CC(=O)N(C)C)c1)C(C)Nc1ncnc(N)c1C(C)=N
COc1c(cc(Cl)c(C)c1-c1cnn(c1)C(C)C(=O)N(C)C)C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(C#N)c(C)c1-c1cnn(C)c1)C(C)Nc1ncnc(N)c1C(C)=N
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCOC1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCOC1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCOCC1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC2CCOC2)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC2CCOC2)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC2CCOCC2)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC(F)(F)F)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(CCC(F)(F)F)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(CC#N)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCOC1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(C1)C1CCOC1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(CC2CCOC2)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(CC2CCOC2)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C#N)c1C1CN(CC2CCOCC2)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCN1CC(C1)c1c(Cl)c(Cl)cc([C@@H](C)n2nc(C)c3c(N)ncnc23)c1OC |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)OC)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1C1CN(C1)C(=O)C(C)(C)O)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)c1cncc(c1)C#N)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)c1cncc(c1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)c1cncc(c1)S(C)(=O)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)c1cncc(c1)C(=O)NC)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)c1ccnc(c1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1C1CN(C1)c1cncc(c1)S(C)(=O)=O)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)c1ccc(nc1)-c1nnn(C)n1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)c1ccc(nc1)-c1cnn(C)n1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)c1ccc(nc1)-c1nnc(C)o1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)c1cncc(c1)C1NC=CO1)C(C)n1nc(C)c2c(N)ncnc12 |c:27|
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)N1CC(COC)C1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)N1CC(C1)C#N)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1C1CN(C1)c1cnn(C)c1)C(C)n1nc(C)c2c(N)ncnc12
CCOc1c(cc(C)c(C#N)c1C1CN(C1)c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
COc1c(cc(Cl)c(C)c1[C@@H]1CNC(=O)CO1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1[C@H]1CNC(=O)CO1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1[C@@H]1CNC(=O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1[C@H]1CNC(=O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(C)c1[C@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@@H]1COC(=O)N1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
CCOc1c(cc(Cl)c(F)c1[C@H]1COC(=O)N1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1-c1ccc(C[C@@H](C)O)nc1)[C@H](C)n1cc(C)c(=O)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1-c1ccc(C[C@H](C)O)nc1)[C@@H](C)n1cc(C)c(=O)c2c(N)ncnc12 |r|
COc1c(cc(Cl)c(C)c1-c1ccc(C[C@@H](C)O)nc1)[C@@H](C)n1cc(C)c(=O)c2c(N)ncnc12 |r|
CC(Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1ccccc1
CC(Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1ccccn1
CC(Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1cc(F)cc(F)c1
CC(Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1ccccc1S(C)(=O)=O
CC(Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cc2nc1-c1cccc(F)c1
CC(Nc1nc(N)nc(N)c1C#N)c1cc2cccc(F)c2nc1-c1ccccc1S(C)(=O)=O
CC(Nc1nc(N)nc(N)c1C#N)c1cc2cccc(Cl)c2nc1-c1ccccn1
CC#Cc1cccc2nc(C(C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
CC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#CC(C)(C)C)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1
COC(C)C#Cc1cccc2cc(C(C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cncn3C)c2c(=O)n1C1CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CC3)c2c(=O)n1C1CC1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1C1CC1
CC(NC(=O)c1nccnc1N)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cc[nH]c(=O)c3)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccc(=O)[nH]c3)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC=O)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1cnn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1cncc2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccn[nH]3)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)[nH]1
CC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#C)c2c(=O)n1-c1ccc(F)c(F)c1
CC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#C)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1nccnc1N)c1nc2cccc(C#C)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#C)c2c(=O)n1C
CC(NC(=O)c1nccnc1N)c1nc2cccc(C#C)c2c(=O)n1-c1ccc(F)cc1
CC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#C)c2c(=O)n1-c1ccc(F)cc1
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(\C=C\c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(\C=C/c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3c[nH]c(C)n3)c2c(=O)n1C |r|
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |TLB:23:24:31.32:29.28,THB:25:24:31.32:29.28,(2.65,-.58,;1.31,-1.35,;1.31,-2.89,;2.65,-3.66,;3.98,-2.89,;2.65,-5.2,;3.89,-6.11,;5.36,-5.63,;3.42,-7.57,;1.88,-7.57,;.85,-8.72,;-.66,-8.4,;-1.14,-6.93,;-.11,-5.79,;1.4,-6.11,;-.02,-.58,;-1.36,-1.35,;-2.69,-.58,;-4.02,-1.35,;-5.36,-.58,;-5.36,.96,;-4.02,1.73,;-4.02,3.27,;-4.02,4.81,;-4,6.9,;-2.63,7.59,;-5.6,6.54,;-6.7,9.12,;-7.94,8.22,;-6.61,7.45,;-5.14,7.93,;-4.82,9.43,;-6.16,10.2,;-2.69,.96,;-1.36,1.73,;-1.36,3.27,;-.02,.96,;1.31,1.73,;2.65,.96,;3.98,1.73,;3.98,3.27,;2.65,4.04,;1.31,3.27,)|
CC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(C#Cc3csc(C)n3)c2c(=O)n1-c1ccccc1
CC#Cc1cccc2cc(C(C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
COc1cnc(C(=O)NC(C)c2cc3cccc(C#Cc4cnn(C)c4)c3c(=O)n2-c2ccccc2)c(C)n1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CCNCC3)c2c(=O)n1-c1ccccc1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cn[nH]c3)c2c(=O)n1-c1ccccc1
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(\C=C\c3ccccc3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2ccccc2c(=O)n1-c1ccccc1 |r|
Nc1nc2cc(ccc2o1)C1CCc2ncc(-c3ccc(nc3)N3CCOCC3)n2C1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(-c3cn[nH]c3)n2n1
CN1CCN(CC1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
CS(=O)(=O)N1CCC(CC1)n1cnc2ccc(cc2c1=O)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(n2c1)S(=O)(=O)N1CCOCC1
CN1CCN(CC1)S(=O)(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)[C@@H]1CCCN1 |r|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(N[C@H]3CC[C@H](O)CC3)nc2c1 |r,wU:21.23,wD:18.19,(6.65,-3.77,;5.88,-2.44,;4.34,-2.28,;4.02,-.77,;2.69,,;2.69,1.54,;4.02,2.31,;5.36,1.54,;5.36,,;6.5,-1.03,;1.36,2.31,;1.36,3.85,;.02,4.62,;-1.31,3.85,;-2.64,4.62,;-3.98,3.85,;-3.98,2.31,;-5.31,1.54,;-5.31,,;-6.65,-.77,;-6.65,-2.31,;-5.31,-3.08,;-5.31,-4.62,;-3.98,-2.31,;-3.98,-.77,;-2.64,1.54,;-1.31,2.31,;.02,1.54,)|
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)[C@H]1CCCN1 |r|
CC(=O)Nc1nc2ccc(cc2s1)-c1ccc2oc(N)nc2c1
CN1CCN(CC1)C(=O)c1cnn2ccc(cc12)-c1ccc2oc(N)nc2c1
CN1CCN(C(=O)C1)c1cnc2ccc(cc2n1)-c1ccc2oc(N)nc2c1
Nc1nc2cc(ccc2o1)-c1ccc2ncc(nc2c1)N1CCn2cccc2C1
C[C@H]1CN(CCN1)c1cnc2ccc(cc2c1)-c1ccc2oc(N)nc2c1 |r|
CC(=O)Nc1cc2ccc(cn2n1)-c1cc(F)c2oc(N)nc2c1
C[C@H]1CN(CCN1)c1cc2cc(ccc2nc1N)-c1ccc2oc(N)nc2c1 |r|
COc1ccc(cc1NS(=O)(=O)c1cccnc1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
C[C@H]1COCCN1C(=O)c1cnc2ccc(cn12)-c1cccc2nc(N)oc12 |r|
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cnc2[nH]ncc2c1
CNc1nsc2cc(ccc12)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
O=C(N1CCOCC1)c1cnc2ccc(cn12)-c1cccc2[nH]ncc12
CC1(C)CN(CCN1)C1CN(C1)C(=O)c1cnc2ccc(cn12)-c1ccc2oc(N)nc2c1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncn(C3CCN(C)CC3)c(=O)c2c1
C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1Cc2ccccc2C1 |r|
CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CCC(C)(C)CC1
C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(F)c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;-.72,-4.78,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)|
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnn(C)c1)C(O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cn[nH]c1)C(O)(CO)C(F)(F)F
Cc1cc(on1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnsc1)C(O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1ccns1)C(O)(CO)C(F)(F)F
Cc1cc(sn1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(CO)C(F)(F)F
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)C(O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-c1cnco1)C(O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)-n1ccnn1)C(O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)N1NC=CN1)C(O)(CO)C(F)(F)F |c:18|
Cc1ccc(cc1-c1cnc(N)c(n1)-n1cncn1)C(O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C1CC(C1)C(=O)N1CC(O)C1)C(O)(CO)C(F)(F)F |(-6.28,-2.54,;-6.28,-1,;-7.61,-.23,;-7.61,1.31,;-6.28,2.08,;-4.94,1.31,;-4.94,-.23,;-3.61,-1,;-2.28,-.23,;-.94,-1,;-.94,-2.54,;.39,-3.31,;-2.28,-3.31,;-3.61,-2.54,;-2.28,-4.85,;-1.19,-5.93,;-2.28,-7.02,;-3.37,-5.93,;-2.28,-8.56,;-.94,-9.33,;-3.61,-9.33,;-4.01,-10.82,;-5.5,-10.42,;-6.83,-11.19,;-5.1,-8.93,;-6.28,3.62,;-4.74,3.62,;-7.82,3.62,;-8.59,4.96,;-6.28,5.16,;-6.28,6.7,;-7.82,5.16,;-4.74,5.16,)|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CC(C1)C#N)[C@](O)(CO)C(F)(F)F |wU:23.26,wD:23.25,(-8.95,-2.54,;-8.95,-1,;-10.28,-.23,;-10.28,1.31,;-8.95,2.08,;-7.61,1.31,;-7.61,-.23,;-6.28,-1,;-4.94,-.23,;-3.61,-1,;-3.61,-2.54,;-2.28,-3.31,;-4.94,-3.31,;-6.28,-2.54,;-4.94,-4.85,;-6.28,-5.62,;-3.61,-5.62,;-3.61,-7.16,;-2.52,-8.24,;-3.61,-9.33,;-4.7,-8.24,;-3.61,-10.87,;-3.61,-12.41,;-8.95,3.62,;-7.41,3.62,;-10.49,3.62,;-11.26,4.96,;-8.95,5.16,;-8.95,6.7,;-10.49,5.16,;-7.41,5.16,)|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@H]1CCCC[C@@H]1O)[C@](O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@@H]1CCOC[C@H]1O)[C@](O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CC(O)(C1)C(F)(F)F)[C@](O)(CO)C(F)(F)F |wU:26.29,wD:26.28,(1.72,-13.95,;1.72,-15.49,;3.06,-16.26,;3.06,-17.8,;1.72,-18.57,;.39,-17.8,;.39,-16.26,;-.94,-15.49,;-2.28,-16.26,;-3.61,-15.49,;-3.61,-13.95,;-4.94,-13.18,;-2.28,-13.18,;-.94,-13.95,;-2.28,-11.64,;-.94,-10.87,;-3.61,-10.87,;-3.61,-9.33,;-4.7,-8.24,;-3.61,-7.16,;-2.81,-5.84,;-2.52,-8.24,;-4.42,-5.84,;-5.22,-4.53,;-3.1,-5.04,;-5.73,-6.65,;1.72,-20.11,;.18,-20.11,;3.26,-20.11,;4.03,-21.45,;1.72,-21.65,;1.72,-23.19,;3.26,-21.65,;.18,-21.65,)|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1(C)CC(O)C1)[C@](O)(CO)C(F)(F)F |wU:23.26,wD:23.25,(-10.21,-2.64,;-11.29,-1.55,;-12.78,-1.95,;-13.87,-.86,;-13.47,.63,;-11.99,1.03,;-10.9,-.06,;-9.41,.34,;-9.01,1.82,;-7.52,2.22,;-6.43,1.13,;-4.95,1.53,;-6.83,-.35,;-8.32,-.75,;-5.74,-1.44,;-4.26,-1.04,;-6.14,-2.93,;-5.05,-4.02,;-3.96,-2.93,;-3.96,-5.11,;-5.05,-6.2,;-5.05,-7.74,;-6.14,-5.11,;-14.56,1.72,;-13.47,2.81,;-15.65,.63,;-17.14,1.03,;-15.65,2.81,;-16.74,3.9,;-16.74,1.72,;-14.56,3.9,)|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC12CC(CO)(C1)CC2)[C@](O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC12CC(CO)(C1)C2)[C@](O)(CO)C(F)(F)F
C[C@@H](CO)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)[C@](O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NCC(C)(C)C#N)[C@](O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC12CCC(O)(CC1)C2)[C@](O)(CO)C(F)(F)F
C[C@H](CO)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)[C@](O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC12CC(O)(C1)CC2)[C@](O)(CO)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@H]1CCCC[C@@H]1O)[C@](O)(CO)C(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@@H]1CCCC[C@H]1O)[C@](O)(CO)C(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC12CC(C1)(CC2)C#N)[C@](O)(CO)C(F)F |wU:25.29,wD:25.28,(1.49,5.45,;2.6,6.52,;2.23,8.02,;3.33,9.09,;4.81,8.67,;5.19,7.17,;4.08,6.1,;4.46,4.61,;5.94,4.18,;6.31,2.69,;5.2,1.62,;5.58,.13,;3.72,2.04,;3.35,3.54,;2.62,.97,;1.14,1.39,;2.99,-.52,;1.88,-1.59,;.23,-2.75,;1.78,-3.06,;1.18,-.22,;3.13,-3.79,;3.15,-2.29,;1.25,-4.51,;.73,-5.96,;5.92,9.74,;6.99,8.63,;4.85,10.84,;5.27,12.32,;7.03,10.81,;6.65,12.3,;8.51,10.38,)|
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CCOCC1)[C@](O)(CO)C(F)F
C[C@@H](CO)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)[C@](O)(CO)C(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC12CCC(O)(CC1)C2)C(O)(CO)C(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N1CCC[C@@H]1CO)[C@](O)(CO)C(F)F
CC(C)NC(=O)c1nc(cnc1N)-c1cc(ccc1C)[C@](O)(CO)C(F)F
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1(C)CCOC1)[C@](O)(CO)C(F)F
CC(C)n1c2c(nnc3ccc(cc23)-c2ccc(COCCN3CCC(C)(C)CC3)nc2)n(C)c1=O
CC(C)n1c2c(nnc3ccc(cc23)-c2ccc(nc2)[C@@H](C)OCC(=O)N2CCC3(CC3)C2)n(C)c1=O |r|
COC1CCN(CCO[C@H](C)c2ccc(cn2)-c2ccc3nnc4n(C)c(=O)n(C(C)C)c4c3c2)CC1 |r|
CC(C)n1c2c(nnc3ccc(cc23)-c2ccc(nc2)[C@@H](C)OCCN2CCCC2)n(C)c1=O |r|
CC(C)n1c2c(nnc3ccc(cc23)-c2ccc(nc2)[C@@H](C)OCCN2CCC(C2)OC2CC2)n(C)c1=O |r|
CC(C)n1c2c(nnc3ccc(cc23)-c2ccc(nc2)[C@@H](C)OCCN2CC[C@@H](C)C2)n(C)c1=O |r|
C[C@@H](OCCN1CCC2(CC2)C1)c1ccc2nnc3n(C)c(=O)n(C4CCOCC4)c3c2c1 |r|
C[C@@H](OCCN1CCC2(CC2)CC1)c1ccc(cn1)-c1ccc2nnc3n(C)c(=O)n(C4CCOCC4)c3c2c1 |r|
CO[C@@H]1CCN(CCO[C@H](C)c2ccc(cn2)-c2ccc3nnc4n(C)c(=O)n(C5CCOCC5)c4c3c2)C1 |r|
CO[C@H]1C[C@@H](C1)n1c2c(nnc3ccc(cc23)-c2ccc(nc2)[C@@H](C)OCCN2CCCC2)n(C)c1=O |r,wU:2.1,wD:4.6,23.27,(3.84,4.98,;3.36,3.51,;4.39,2.37,;5.93,2.29,;5.85,.75,;4.31,.83,;6.88,-.39,;6.56,-1.9,;7.9,-2.67,;7.9,-4.21,;6.56,-4.98,;5.23,-4.21,;3.89,-4.98,;2.56,-4.21,;2.56,-2.67,;3.89,-1.9,;5.23,-2.67,;1.23,-1.9,;1.23,-.36,;-.11,.41,;-1.44,-.36,;-1.44,-1.9,;-.11,-2.67,;-2.77,.41,;-2.77,1.95,;-4.11,-.36,;-5.44,.41,;-6.78,-.36,;-8.11,.41,;-8.27,1.94,;-9.78,2.26,;-10.55,.93,;-9.52,-.22,;9.04,-1.64,;10.55,-1.96,;8.41,-.23,;9.18,1.1,)|
CC(C)n1c2c(nnc3ccc(cc23)-c2ccc(nc2)[C@H](OCCN2CCCC2)C(F)(F)F)n(C)c1=O |r|
CC(C)n1c2c(nnc3ccc(cc23)-c2ccc(nc2)[C@@H](OCCN2CCCC2)C(F)(F)F)n(C)c1=O |r|
Cn1c2cnc3cc(F)c(-c4ccc(OCCCN5CCCCC5)nc4)c4OC5CCCCC5n(c2c34)c1=O
CC[C@@H]1COc2c(c(F)cc3ncc4n(C)c(=O)n1c4c23)-c1ccc(OCCCN2CCCCC2)nc1 |r|
COCCOc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4sc(C)nc4C)c3)cn2c1=O
CC(C)n1c2c(n(C)c1=O)N=NC1CC(F)C(C3C=NC(OCCCN4CCCCC4)=CC3)=CC21
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN(C)C)nc4)cc3c21
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCCC5)nc4)cc3c21
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(N5CCC(N(C)C)CC5)nc4)cc3c21
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(N5CCC(CN(C)C)C5)nc4)cc3c21
CC(C)n1c2c(n(C)c1=O)N=NC1C=C(F)C(c3ccc(COCCN(C)C)nc3)=CC21
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(COCCN5CCCCC5)nc4)cc3c21
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(COCCN5CCCC5)nc4)cc3c21
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(COCCN5CC[C@@H](F)C5)nc4)cc3c21
CC(C)n1c2c(nnc3cc(F)c(cc23)-c2ccc(COCCN3CCC(F)CC3)nc2)n(C)c1=O
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(COCCN5CC6CC6C5)nc4)cc3c21
CC(C)n1c2c(n(C)c1=O)N=NC1C=C(F)C(c3ccc(C(=O)NCCN(C)C)nc3)=CC21
CC(C)n1c2c(n(C)c1=O)N=NC1CC(F)C(C3C=NC(OCCCN4CCC(F)CC4)=CC3)=CC21
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CC[C@H](F)C5)nc4)cc3c21
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CC[C@@H](F)C5)nc4)cc3c21
CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CC6CC6C5)nc4)cc3c21
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=CC(=O)N1CCC(Nc2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)nc23)CC1
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(C)(=O)=O)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)[C@@H](C)C1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)C[C@@H]4C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
C=C(F)C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)[C@@H](C)C1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/n5ccnn5)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/CN(C)C)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
C=CC(=O)N1CC2(CCN(c3ncnc4ccc(-c5cnc(OC)c(NS(=O)(=O)c6ccc(F)cc6F)c5)cc34)C2)C1
COc1ncc(-c2ccc3ncnc(N4CCC5(CN(C(=O)/C=C/C(C)=O)C5)C4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
C=CC(=O)N1C[C@H](C)N(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)C[C@H]1C
COc1ncc(-c2ccc3ncnc(N4C[C@@H](C)N(C(=O)/C=C/C(C)=O)C[C@@H]4C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/CF)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
CCCC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=CC(=O)N1CC2(CCN(c3ncnc4ccc(-c5cnc(OC)c(NS(=O)(=O)c6ccc(F)cc6F)c5)cc34)CC2)C1
C=C(F)C(=O)N1CC2(CCN(c3ncnc4ccc(-c5cnc(OC)c(NS(=O)(=O)c6ccc(F)cc6F)c5)cc34)CC2)C1
COc5ncc(c4ccc3ncnc(N1CCC2(CC1)CN(C(=O)/C=C/C(C)=O)C2)c3c4)cc5NS(=O)(=O)c6ccc(F)cc6F
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5c(F)cccc5F)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccccc5)c4)cc23)CC1
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)C5CCCCC5)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)C1CCCCC1
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
CC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=CC(=O)N1CCN(c2nc(C)nc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=CC(=O)N1CCN(c2nc(N)nc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=CC(=O)N1CCN(c2nc(C#N)nc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=CC(=O)N1CCN(c2nc(O)nc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
CC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(Cl)s5)c4)cc23)CC1
CC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(Cl)s5)c4)cc23)CC1
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(Cl)s5)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(Cl)s1
C=CC(=O)N1CCN(c2ncnc3c2CN(c2cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c2)CC3)CC1
COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)O)cc(F)cc12)N1CCOCC1
COc1ncc(-c2ccc3ncnc(N4CCC5(CN(C(=O)/C=C/C(C)=O)C5)C4)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
C=C(F)C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5c(F)cccc5F)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(F)(F)F)CC4)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
C=C(F)C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5c(F)cccc5F)c4)cc23)[C@@H](C)C1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)C[C@@H]4C)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
C=C(F)C(=O)N1CC2(CCN(c3ncnc4ccc(-c5cnc(OC)c(NS(=O)(=O)c6c(F)cccc6F)c5)cc34)CC2)C1
C=C(F)C(=O)N1CC2(CCN(c3ncnc4ccc(-c5cnc(OC)c(NS(=O)(=O)c6c(F)cccc6F)c5)cc34)C2)C1
COc1ncc(-c2ccc3ncnc(N4CCC5(CC4)CN(C(=O)/C=C/C(C)=O)C5)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
C=CC(=O)N1CC2(CCN(c3ncnc4ccc(-c5cnc(OC)c(NS(=O)(=O)c6c(F)cccc6F)c5)cc34)CC2)C1
COc1ncc(-c2ccc3ncnc(N4C[C@@H](C)N(C(=O)/C=C/C(C)=O)C[C@@H]4C)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
C=CC(=O)N1CC(N2CCN(c3ncnc4ccc(-c5cnc(OC)c(NS(=O)(=O)c6ccc(F)cc6F)c5)cc34)CC2)C1
COc1ncc(-c2ccc3ncnc(N4CCN(C5CN(C(=O)/C=C/C(C)=O)C5)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
C=C(F)C(=O)N1CC(N2CCN(c3ncnc4ccc(-c5cnc(OC)c(NS(=O)(=O)c6ccc(F)cc6F)c5)cc34)CC2)C1
COc1ncc(-c2ccc3ncnc(N4CC5CCC(C4)N5C(=O)/C=C/C(C)=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
C=C(F)C(=O)N1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=C(F)C(=O)N1CC2(CCN(c3ncnc4ccc(-c5cnc(OC)c(NS(=O)(=O)c6ccc(F)cc6F)c5)cc34)C2)C1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/c5ncco5)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COC/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=C(COC)C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=C(OC)C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
COC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=C(F)C(=O)N1C[C@H](C)N(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)C[C@H]1C
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)c5cccc(O)c5)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCC5(CC=CC5=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCC5(CC=CC5=O)CC4)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)C5=CC(=O)CCC5)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)C5=CC(=O)CCC5)CC4)c3c2)cc1NS(=O)(=O)c1ccc(Cl)s1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)C5=CC(=O)CC5)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)CCS(C)(=O)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/P(C)(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
C=C(F)C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(N(C)S(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(N(C)S(=O)(=O)c5c(F)cccc5F)c4)cc23)CC1
CCc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
CC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5c(F)cccc5F)c4)cc23)CC1
CC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5c(F)cccc5F)c4)cc23)[C@@H](C)C1
CC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5c(F)cc(F)cc5F)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1cccc(F)c1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccccc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccccc1C
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1cc(F)ccc1F
CCc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1cccc2cccc(Cl)c12
COc1ncc(-c2ccc3ncnc(N4CCC5(CN(C(=O)/C=C/C(C)=O)C5)C4)c3c2)cc1NS(=O)(=O)c1c(F)cc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1c(F)cc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCC5(CC4)CN(C(=O)/C=C/C(C)=O)C5)c3c2)cc1NS(=O)(=O)c1c(F)cc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1c(F)cncc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccncc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1cc(Cl)cn1C
CNc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC5CCCC5)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
CC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC5CCCC5)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
C=C(F)C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC5CCCC5)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
CCOc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(C)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)[C@@H](CC#N)C4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
C=C(F)C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)C[C@@H]1CC#N
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)C[C@@H]1CC#N
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)[C@@H](CC#N)C4)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cn1
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cn5)c4)cc23)CC1
C=C(F)C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cn5)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1c(F)cccc1C#N
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(C#N)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(C)cc1F
C=C1CCN(C2CN(c3ncnc4ccc(-c5cnc(OC)c(NS(=O)(=O)c6ccc(F)cc6F)c5)cc34)C2)C1=O
C=CC(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NCc5ccc(F)cc5F)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)C5OC5C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
CC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(O)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(NC4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1c(F)cccc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1ccccc1F
COc1ncc(-c2ccc3ncnc(N4C5CCC4CN(C(=O)/C=C/C(C)=O)C5)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CC5CCC(C4)N5C(=O)/C=C/C(C)=O)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
COc1ncc(-c2ccc3ncnc(N4CCC5(CC4)CN(C(=O)/C=C/C(C)=O)C5)c3c2)cc1NS(=O)(=O)c1ccccc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)C[C@@H]4C)c3c2)cc1NS(=O)(=O)c1ccccc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)C[C@@H]4C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)C[C@@H]4C)c3c2)cc1NS(=O)(=O)c1c(F)cc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CC5CCC(C4)N5C(=O)/C=C/C(C)=O)c3c2)cc1NS(=O)(=O)c1c(F)cc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CC5CCC4CN5C(=O)/C=C/C(C)=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
CC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OCC(F)(F)F)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1sc(C)nc1C
COc1ncc(-c2ccc3ncnc(N4CCC5(CC4)CN(C(=O)/C=C/C(C)=O)C5)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ncc(Cl)s1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1S(=O)(=O)Nc1ccc(F)cc1F
C=C(C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1)C(C)O
C=C(C(C)=O)C(=O)N1CCN(c2ncnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(C)(=O)=O
COc1ncc(-c2ccc3ncnc(N4CCC5(CC4)CN(C(=O)/C=C/C(C)=O)C5)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccncc1C
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)C[C@@H]4C)c3c2)cc1NS(=O)(=O)c1sc(C)nc1C
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)C[C@@H]4C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl
COc1ncc(-c2ccc3ncnc(N4CC5CCC(C4)N5C(=O)/C=C/C(C)=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl
COc1ncc(-c2ccc3ncnc(N4CC5CCC(C4)N5C(=O)/C=C/C(C)=O)c3c2)cc1NS(=O)(=O)c1sc(C)nc1C
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(Cl)cc1F
COc1ncc(-c2ccc3ncnc(N4CCC5(CC4)CN(C(=O)/C=C/C(C)=O)C5)c3c2)cc1NS(=O)(=O)c1sc(C)nc1C
COC(=O)c1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ccc(Cl)c(S(=O)(=O)Nc2cc(-c3ccc4ncnc(N5CCN(C(=O)/C=C/C(C)=O)CC5)c4c3)cnc2OC)c1
[2H]C([2H])([2H])Oc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
CC(=O)/C=C/C(=O)N1CCN(c2ncnc3ccc(-c4cnc(N(C)C)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(C4=CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(C4=CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1sc(C)nc1C
COc1ncc(-c2ccc3ncnc(C4=CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccccc1F
COc1ncc(-c2ccc3ncnc(C4=CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
COc1ncc(-c2ccc3ncnc(C4=CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1c(F)cccc1Cl
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1sc(C)nc1C
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1ccccc1F
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1c(F)cccc1F
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1NS(=O)(=O)c1c(F)cccc1Cl
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1c(F)cncc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1cc(F)ccc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1cccc(F)c1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1c(F)cc(F)cc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1ccncc1F
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1sc(C)nc1C
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1c(Cl)cncc1Cl
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1c(F)cccc1Cl
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)[C@H](C)C4)c3n2)cc1NS(=O)(=O)c1ccccc1F
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1sc(C)nc1C
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1c(F)cc(F)cc1F
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1ccccc1F
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1c(F)cccc1F
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1c(F)cccc1Cl
COc1ncc(-c2ccc3ncnc(C4=CCN(C(=O)/C=C/C(C)=O)CC4)c3n2)cc1NS(=O)(=O)c1c(F)cccc1Cl
COc1ncc(-c2ccc3ncnc(N4CCN(C(=O)/C=C/C(C)=O)CC4)c3c2)cc1SS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2ccc3ncnc(C4CCN(C(=O)/C=C/C(C)=O)C4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
Cc1cccc2cc(Cn3cnc4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(C#CC4CC4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)cc2cccc(C)c2c1=O |(7.35,-15.23,;6.01,-14.47,;4.69,-15.24,;3.34,-14.47,;3.34,-12.93,;4.67,-12.16,;6.01,-12.93,;7.34,-12.16,;7.34,-10.62,;6,-9.85,;6,-8.31,;7.41,-7.69,;7.26,-6.16,;8.4,-5.13,;9.87,-5.61,;11.02,-4.59,;12.48,-5.07,;10.7,-3.08,;9.23,-2.6,;8.91,-1.09,;8.09,-3.63,;5.76,-5.83,;5,-4.5,;5.78,-3.17,;3.45,-4.48,;2.68,-5.82,;3.43,-7.17,;4.97,-7.16,;8.67,-9.84,;10,-10.62,;11.32,-9.85,;12.65,-10.61,;12.66,-12.15,;11.32,-12.92,;11.32,-14.46,;10,-12.15,;8.67,-12.92,;8.67,-14.46,)|
Cc1cccc2cc(Cn3nc(C#CCO)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4ccc(F)c(O)c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3ccc(F)c(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(C#CC3CC3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccnc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccnc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccnc1-n1c(Cn2nc(Br)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccnc1-n1c(Cn2nc(Cl)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(Br)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(Cl)c3c(N)ncnc32)cc2cccc(C)c2c1=O
COc1cc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)ccc1Cl
COc1cc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3F)c3ncnc(N)c23)ccc1Cl
Cc1ccccc1-n1c(Cn2nc(-c3ccc(Cl)c(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4ccc(Cl)c(O)c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(Cl)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4ccc(O)c(Cl)c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(-c3ccc(F)cc3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(C#C[C@@H](C)O)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4ccc(O)c(F)c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2ccccc2c1=O
Cc1ccccc1-n1c(Cn2nc(C#C[C@@H](C)O)c3c(N)ncnc32)cc2ccccc2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2ccccc2c1=O
Cc1cccc2cc(Cn3nc(Cl)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(Br)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)cc3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(C#C[C@@H](C)O)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4cccc(Cl)c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(-c3cccc(Cl)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4cccc(F)c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(-c3cccc(F)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2cccc(F)c2c1=O
Cc1ccccc1-n1c(Cn2nc(C#C[C@@H](C)O)c3c(N)ncnc32)cc2cccc(F)c2c1=O
COc1ccc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)cc1OC
COc1ccc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)cc1
Cc1cccc2cc(Cn3nc(-c4ccc(O)cc4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
COc1ccc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3F)c3ncnc(N)c23)cc1OC
Cc1ccccc1-n1c(Cn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3ccc(Cl)cc3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3ccc4cc[nH]c4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2ccccc2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3ccc(Cl)c(O)c3)c3c(N)ncnc32)cc2ccccc2c1=O
CC(=O)Nc7nc6ccc(c4nn(Cc2cc1cccc(C)c1c(=O)n2c3ccccc3C)c5ncnc(N)c45)cc6s7
Cc1ccccc1-n1c(Cn2nc(-c3ccc(F)c(O)c3)c3c(N)ncnc32)cc2ccccc2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2cccc(F)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3ccc(F)c(O)c3)c3c(N)ncnc32)cc2cccc(F)c2c1=O
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(C3CCCC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(C3CCCC3)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2cccc(F)c2c1=O
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(C(C)C)c(=O)c12
Cc1cccc2cc(Cn3nc(C#C[C@@H](C)O)c4c(N)ncnc43)n(C(C)C)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(C(C)C)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(C3CCCC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4ccc(F)c(O)c4)c4c(N)ncnc43)n(C3CCCC3)c(=O)c12
Cc1cccc2cc(Cn3nc(C#C[C@@H](C)O)c4c(N)ncnc43)n(C3CCCC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(C(C)C)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4ccc(F)c(O)c4)c4c(N)ncnc43)n(C(C)C)c(=O)c12
Cc1cccnc1-n1c(Cn2nc(-c3ccc(F)c(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccnc1-n1c(Cn2nc(C#C[C@@H](C)O)c3c(N)ncnc32)cc2cccc(C)c2c1=O
COc1ccccc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4ccc(Cl)c(O)c4)c4c(N)ncnc43)n(C3CCCC3)c(=O)c12
Cc1cccnc1-n1c(Cn2nc(-c3ccc(Cl)c(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccnc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
COc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(-c3ccccc3C(C)C)c(=O)c12
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(-c3ccccc3Cl)c(=O)c12
CCc1ccccc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccncc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(-c3ccccc3O)c(=O)c12
COc1ccccc1-n1c(Cn2nc(C#C[C@@H](C)O)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(-c3ccccc3O)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(-c3ccccc3C(C)C)c(=O)c12
Cc1cccc2cc(Cn3nc(C#C[C@@H](C)O)c4c(N)ncnc43)n(-c3ccccc3C(C)C)c(=O)c12
COc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(C#C[C@H](C)O)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(C3CC3)c(=O)c12
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(C3CCCCC3)c(=O)c12
CCc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
CCc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(-c3ccccc3O)c(=O)c12
Cc1cccc2cc(Cn3nc(C#C[C@@H](C)O)c4c(N)ncnc43)n(-c3ccccc3O)c(=O)c12
Cc1cccnc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2ccccc2c1=O
Cc1cccnc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2ccccc2c1=O
Cc1cccnc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2ccccc2c1=O
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(-c3ccccc3C(C)C)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(-c3ccccc3Cl)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(-c3ccccc3Cl)c(=O)c12
Cc1cccc2cc(Cn3nc(C#C[C@@H](C)O)c4c(N)ncnc43)n(-c3ccccc3Cl)c(=O)c12
CCc1ccccc1-n1c(Cn2nc(C#C[C@@H](C)O)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(C#C[C@@H](C)O)c4c(N)ncnc43)n(C3CC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(C3CC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(C3CC3)c(=O)c12
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(-c3ccccc3OCCN3CCOCC3)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(I)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(C3CCC3)c(=O)c12
COc1cccc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)c1
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(C)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(-c3ccccc3OCCN3CCOCC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(-c3ccccc3OCCN3CCOCC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(C3CCCCC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(C3CCCCC3)c(=O)c12
Cc1cccc2cc(Cn3nc(C#C[C@@H](C)O)c4c(N)ncnc43)n(C3CCCCC3)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)nccc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(C3CCC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(C3CCC3)c(=O)c12
CC(C)n1c(Cn2nc(I)c3c(N)ncnc32)cc2cccc(F)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3ccc(CN)cc3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)nccc32)cc2cccc(C)c2c1=O
CNC(=O)c1cccc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)c1
Cc1cccc2cc(Cn3nc(-c4ccc(Cl)c(O)c4)c4c(N)ncnc43)n(C(C)C)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(C)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(C)c(=O)c12
CCn1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(C3CCOCC3)c(=O)c12
CC(C)n1c(Cn2nc(I)c3c(N)ncnc32)cc2ccccc2c1=O
Nc1ncnc2c1c(I)nn2Cc1cc2cccc(F)c2c(=O)n1-c1ccccc1F
CC(C)n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2cccc(F)c2c1=O
CC(C)n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2ccccc2c1=O
CC(C)n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2ccccc2c1=O
CC(C)n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2cccc(Cl)c2c1=O
CC(C)n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2cccc(Cl)c2c1=O
Nc1ncnc2c1c(I)nn2Cc1cc2cccc(Cl)c2c(=O)n1C1CC1
Nc1ncnc2c1c(-c1cccc(O)c1)nn2Cc1cc2cccc(Cl)c2c(=O)n1C1CC1
Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2cccc(Cl)c2c(=O)n1C1CC1
Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2cccc(F)c2c(=O)n1-c1ccccc1F
Cc1ccccc1-n1c(Cn2nc(-c3ccc4nc(N)sc4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
CNC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4C)c4ncnc(N)c34)cc2s1
Cc1ccccc1-n1c(Cn2nc(-c3ccc4nc(N)ccc4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3ccc4nc(N)ncc4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(-c3ccc4ncnc(N)c4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4C)c4ncnc(N)c34)cc2s1
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4C(C)C)c4ncnc(N)c34)cc2s1
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4C4CC4)c4ncnc(N)c34)cc2s1
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(Cl)c5c(=O)n4C4CC4)c4ncnc(N)c34)cc2s1
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(Cl)c5c(=O)n4C(C)C)c4ncnc(N)c34)cc2s1
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(F)c5c(=O)n4C(C)C)c4ncnc(N)c34)cc2s1
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4C4CCC4)c4ncnc(N)c34)cc2s1
Cc1ccccc1-n1c(Cn2nc(-c3cn[nH]c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4cn[nH]c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cnn(CCO)c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cnn(C)c4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(-c3cnn(C)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4cn[nH]c4)c4c(N)ncnc43)n(-c3cccc(F)c3)c(=O)c12
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3F)c(=O)c12
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5ccccc5c(=O)n4-c4ccccc4C)c4ncnc(N)c34)cc2s1
N#Cc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2F)c2ncnc(N)c12
N#Cc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12
Cc1cccc2cc(Cn3nc(/C=C4/SC(=O)NC4=O)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(/C=C4/CCNC4=O)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(/C=C3/SC(=O)NC3=O)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(/C=C/C(N)=O)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(CCC(N)=O)c3c(N)ncnc32)cc2cccc(C)c2c1=O
CCn1c(Cn2nc(-c3ccc4nc(NC(C)=O)sc4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4)c(C)c3CN)cc2s1
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4cccc(F)c4)c4ncnc(N)c34)cc2s1
C=Cc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2F)c2ncnc(N)c12
C=Cc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12
COc1cc(F)cc(-c2nn(Cc3cc4cccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)c1
Cc1ccccc1-n1c(Cn2nc(-c3ccn[nH]3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4ccn[nH]4)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cn[nH]c4)c4c(N)ncnc43)n(-c3ccccc3C(C)C)c(=O)c12
CCN(Cc1cc2cccc(C)c2c(=O)n1-c1ccccc1C)c1ncnc2[nH]cnc12
Cc1ccccc1-n1c(Cn2nc(-c3cn[nH]c3)c3c(N)ncnc32)cc2ccccc2c1=O
Cc1cccc2cc(Cn3nc(-c4cn[nH]c4)c4c(N)ncnc43)n(-c3ccccc3Cl)c(=O)c12
Nc1ncnc2c1c(-c1cn[nH]c1)nn2Cc1cc2cccc(F)c2c(=O)n1-c1ccccc1F
CCc1ccccc1-n1c(Cn2nc(-c3cn[nH]c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(C(C)Nc2ncnc3[nH]cnc23)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(/C=C/C(=O)N3CCOCC3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(CCC(=O)N3CCOCC3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1ccccc1-n1c(Cn2nc(CN3CCOCC3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(C3CCC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(C3CCC3)c(=O)c12
Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(C3CC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)n(C3CC3)c(=O)c12
CCC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1-c1ccccc1C
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3F)c(=O)c12
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(C3CC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4cn[nH]c4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
Cc1ccccc1-n1c(Cn2nc(-c3nn[nH]n3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)n(C3CCC3)c(=O)c12
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(C(C)C)c(=O)c12
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12
CCC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1-c1ccccc1
CCC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1C1CCC1
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(-c3ccc(F)cc3)c(=O)c12
Cc5cccc6cc(Cn3nc(c1cn[nH]c1)c2c(N)ncnc23)n(c4ccccc4C(F)(F)F)c(=O)c56
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(C3CCC3)c(=O)c12
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(-c3c(F)cccc3F)c(=O)c12
CCC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1-c1c(F)cccc1F
Cc1cccc(C)c1-n1c(CNc2ncnc3[nH]cnc23)cc2cccc(C)c2c1=O
CCC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1C(C)C
CC(Nc1ncnc2[nH]cnc12)c1cc2ccccc2c(=O)n1-c1ccccc1
CCC(Nc1ncnc2[nH]cnc12)c1cc2ccccc2c(=O)n1-c1ccccc1
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(-c3cc(F)cc(F)c3)c(=O)c12
CCC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1-c1ccc(F)cc1
CCC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(C3CCN(C)CC3)c(=O)c12
CCC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1C1CCN(C)CC1
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(-c3cccc(F)c3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(C(C)C)c(=O)c12
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(C3CCCC3)c(=O)c12
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(CCN3CCOCC3)c(=O)c12
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(CCN3CCCC3)c(=O)c12
Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(C3CCOCC3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4ccc5nc(N)oc5c4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Cc1cccc2cc([C@H](C)Nc3ncnc4ccccc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc(Cn3nc(-c4ccc5nc(N)cn5c4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
Cc1cccnc1-n1c(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc([C@H](C)NC(=O)c3cnn4ccccc34)n(-c3ccccc3)c(=O)c12
Cc1nc2c(N[C@@H](C)c3cc4cccc(C)c4c(=O)n3-c3ccccc3)ncnc2[nH]1
Cc1ccccc1-n1c(Cn2nc(-c3ccc4nc(N)oc4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc([C@H](C)Nc3nc(Cl)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3nc(F)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3c(C#N)cnc4ccccc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]ccc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3nc(Cl)ncc3Cl)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3nc(N)ncc3Cl)n(-c3ccccc3)c(=O)c12
CNc1ncc(Cl)c(N[C@@H](C)c2cc3cccc(C)c3c(=O)n2-c2ccccc2)n1
CC(=O)Nc1nc2cc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4C)c4ncnc(N)c34)ccc2o1
Cc1cccc2cc(Cn3nc(-c4ccc5nc(N)sc5c4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
CC(=O)Nc1nc2cc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4)c4ncnc(N)c34)ccc2o1
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(F)c34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]nc(C#N)c34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]nc(C(N)=O)c34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(Br)c34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]ncc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)NC3CCOCC3)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(-c3ccc(F)cc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]c(Cl)nc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(Cl)c34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]c(O)nc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(C#N)c34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]nc(Cl)c34)n(-c3ccccc3)c(=O)c12
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4C)c4ncnc(N)c34)cc2o1
Cc1cccc2cc([C@H](C)Nc3nc(N)ncc3Cl)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3nc(Cl)nc4[nH]cnc34)n(C3CC3)c(=O)c12
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4)c4ncnc(N)c34)cc2o1
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1C1CC1
Cc1cccc2cc([C@H](C)Nc3nc(N)ncc3F)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(Br)c34)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]ccc34)n(C3CC3)c(=O)c12
CC(=O)Nc1nc2cc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4C)c4ncnc(N)c34)ccc2s1
CC(=O)Nc1nc2cc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4)c4ncnc(N)c34)ccc2s1
Cc1ccccc1-n1c(Cn2nc(-c3ccc4sc(N)nc4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(-c4ccc5sc(N)nc5c4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(F)c34)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3nc(F)nc4[nH]cnc34)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]c(Cl)nc34)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3nc(N)ncc3F)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3nc(N)ncc3C(N)=O)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3cc(N)nc(Cl)n3)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3cc(N)nc(N)n3)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3cc(N)nc(Cl)n3)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3cc(N)nc(N)n3)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(C(N)=O)c34)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(C(N)=O)c34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(C#N)c34)n(C3CC3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(-c3cccc(F)c3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]nc(C(N)=O)c34)n(C3CC3)c(=O)c12
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]nc(Cl)c34)n(C3CC3)c(=O)c12
CCc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12
Cc1ccccc1-n1c(Cn2nc(-c3ccc4nc(N)[nH]c4c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4C)c4ncnc(N)c34)cc2[nH]1
Cc1ccccc1-n1c(Cn2nc(C(N)=O)c3c(N)ncnc32)cc2cccc(C)c2c1=O
COC(=O)c1nn(CC2=Cc3cccc(C)c3C(=O)C2c2ccccc2C)c2ncnc(N)c12
Cc1ccccc1-n1c(Cn2nc(C(=O)NO)c3c(N)ncnc32)cc2cccc(C)c2c1=O
C=Cc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2)c2ncnc(N)c12
Cc1cccc2cc(Cn3nc(-c4ccc5nc(N)[nH]c5c4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
CCc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2)c2ncnc(N)c12
CNC(=O)c1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12
Cc1ccccc1-n1c(Cn2nc(C(F)F)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(C(N)=O)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc(Cn3nc(C(F)F)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
CNC(=O)c1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2)c2ncnc(N)c12
Cc1ccccc1-n1c(Cn2nc(CF)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Cc1cccc2cc(Cn3nc(CF)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
N#CCc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12
Cc1ccccc1-n1c(Cn2nc(CO)c3c(N)ncnc32)cc2cccc(C)c2c1=O
COCc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12
Cc1cccc2cc(Cn3nc(C4=CCOCC4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
C=C(C)c1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2)c2ncnc(N)c12
Cc1cccc2cc(Cn3nc(C(C)C)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc(Cn3nc(C(C)(C)O)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
CC(=O)c1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2)c2ncnc(N)c12
Cc1cccc2cc(C(C)Nc3nc(N)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc(C(C)Nc3nc(O)ncc3N)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc(C(C)Nc3nc(Cl)ncc3N)n(-c3ccccc3)c(=O)c12
Cc1cccc2cc([C@H](C)Nc3nc(N)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12
Cc3cccc4cc([C@H](C)Nc1nc(N)ncc1C(F)(F)F)n(c2ccccc2)c(=O)c34
Cc1cccc2cc([C@H](C)Nc3ncc(C(F)(F)F)c(N)n3)n(-c3ccccc3)c(=O)c12
C[C@@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1C1CC1
C[C@@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(F)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(F)c2c(=O)n1-c1cccc(F)c1
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(F)c2c(=O)n1-c1ccc(F)cc1
C[C@H](Nc1ncnc2[nH]c(Cl)nc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]c(O)nc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Cc1ccccc1-n1c(Cn2nc(-c3cn[nH]c3)c3c(N)ncnc32)cc2cccc(Cl)c2c1=O
Nc1ncnc2c1c(-c1cn[nH]c1)nn2Cc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1F
Nc1ncnc2c1c(-c1cn[nH]c1)nn2Cc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Nc1ncnc2c1c(-c1cn[nH]c1)nn2Cc1cc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1
C[C@H](Nc1ncnc2c1ncn2C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
[2H]c1c([2H])c([2H])c(-n2c([C@H](C)Nc3ncnc4[nH]cnc34)cc3cccc(Cl)c3c2=O)c([2H])c1[2H]
C[C@H](Nc1ncnc2ccccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2sccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2ccsc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
[2H]c1nc(N[C@@H](C)c2cc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2nc[nH]c2n1
C[C@H](Nc1nc(N)ncc1C(F)(F)F)c3cc2cccc(Cl)c2c(=O)n3c4ccccc4
Cc1cnc(N[C@@H](C)c2cc3cccc(Cl)c3c(=O)n2-c2ccccc2)nc1C
[2H]c1nc2c(N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3-c3ccccc3)ncnc2[nH]1
[2H]c1nc2c(N[C@@H](C)c3cc4cccc(C)c4c(=O)n3-c3ccccc3)ncnc2[nH]1
[2H]c1nc2c(N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3C3CC3)ncnc2[nH]1
C[C@H](Nc1ncnc2ncn(C)c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Cc1csc2ncnc(N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3-c3ccccc3)c12
C[C@H](NC1CCOc2ccccc21)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
CNc4ncc(C(F)(F)F)c(N[C@@H](C)c2cc1cccc(Cl)c1c(=O)n2c3ccccc3)n4
C[C@H](Nc2nc(NC1CC1)ncc2C(F)(F)F)c4cc3cccc(Cl)c3c(=O)n4c5ccccc5
C[C@H](Nc1ncnc2ncccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ncccc2c(=O)n1-c1ccccc1
Cc1cnc(N)nc1N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1nc(N)nc2ccccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
CNc1nc(N[C@@H](C)c2cc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2ccccc2n1
[2H]c1nc(N[C@@H](C)c2cc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2nc([2H])[nH]c2n1
C[C@H](Nc1ccnc(N)n1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
CC(C)C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
CC(C)[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(Cl)c1
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(C(F)(F)F)c1
Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
COc1ccc(cc1F)-c1nn(C)c2nc(N)nc(NCc3ccccc3)c12
C[C@H](NS(=O)(=O)c1cc(ccc1Cl)-c1sc(NC(C)=O)nc1C)C(=O)OC1CCCC1 |r|
OCCn1cnc2c(nc(nc12)N1CCOCC1)-n1c(nc2ccccc12)C(F)F |(28.44,-4.85,;26.94,-4.53,;25.91,-5.67,;24.4,-5.35,;23.78,-3.94,;22.25,-4.1,;21.93,-5.61,;20.6,-6.38,;20.6,-7.92,;21.93,-8.69,;23.27,-7.92,;23.26,-6.38,;21.92,-10.23,;20.59,-10.99,;20.58,-12.53,;21.91,-13.31,;23.25,-12.54,;23.26,-10.99,;19.27,-5.61,;18.66,-4.2,;17.13,-4.34,;16.79,-5.84,;15.44,-6.6,;15.43,-8.14,;16.77,-8.93,;18.11,-8.17,;18.12,-6.63,;19.44,-2.87,;20.98,-2.88,;18.69,-1.53,)|
CC(=O)Nc1ccc(cn1)C(=O)NC1=Nc2cc(ccc2C2=NCCN12)N1CCOCC1 |t:14,23|
Cn1cc(cn1)-c1ccc2OCCN(C3=NC4CC(C)(C)NC(=O)C4S3)c2c1 |t:15|
FC(F)(F)c1cncc(c1)-c1ccc2nc(NC(=O)NCC(=O)N3CCCC3)nn2c1
CC(=O)Nc1nc2ccc(cc2s1)-c1nn(C2CCCC2)c2ncnc(N)c12
Cc1csc2nc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)n(-c3ccccc3C)c(=O)c12 |(42.28,-26.88,;41.82,-25.41,;42.74,-24.17,;41.84,-22.92,;40.37,-23.38,;39.03,-22.61,;37.7,-23.39,;36.36,-22.62,;36.36,-21.08,;37.76,-20.45,;37.59,-18.92,;38.73,-17.88,;40.19,-18.36,;41.33,-17.32,;42.8,-17.79,;41,-15.81,;39.53,-15.35,;39.19,-13.84,;38.4,-16.39,;36.08,-18.61,;35.31,-17.29,;36.08,-15.95,;33.78,-17.29,;33.01,-18.63,;33.79,-19.95,;35.32,-19.94,;37.7,-24.93,;36.37,-25.7,;35.03,-24.93,;33.7,-25.7,;33.7,-27.24,;35.05,-28.01,;36.37,-27.24,;37.71,-28,;39.03,-25.69,;39.03,-27.23,;40.36,-24.93,)|
CC(=O)Nc1nc2CCc3c(nn(C4CCC(CC4)C(=O)N[C@H]4CC[C@@H](CC4)N4CCCC4)c3-c2s1)C1CC1 |r,wU:22.22,wD:25.29,(13.94,-25.73,;14.1,-27.26,;15.51,-27.88,;12.86,-28.17,;13.03,-29.71,;14.36,-30.47,;14.05,-31.97,;14.96,-33.22,;14.34,-34.62,;12.81,-34.78,;11.91,-36.03,;10.45,-35.56,;10.44,-34.02,;9.11,-33.23,;7.77,-34,;6.44,-33.23,;6.45,-31.7,;7.78,-30.91,;9.11,-31.69,;5.11,-30.93,;5.11,-29.39,;3.78,-31.7,;3.78,-33.23,;5.11,-34.01,;5.11,-35.55,;3.78,-36.32,;2.45,-35.55,;2.45,-34.01,;3.78,-37.86,;2.54,-38.77,;3.01,-40.23,;4.55,-40.23,;5.03,-38.77,;11.91,-33.54,;12.52,-32.13,;11.9,-30.74,;12.4,-37.49,;12.08,-39,;13.54,-38.52,)|
CNc1nc(C)c2cc(ccc2n1)-c1cc(O)cc(F)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12 |(25.34,-18.26,;24.58,-16.92,;25.35,-15.59,;23.04,-16.92,;22.26,-18.25,;22.88,-19.66,;21.73,-20.69,;21.71,-22.23,;20.37,-22.99,;19.04,-22.2,;19.06,-20.67,;20.4,-19.91,;20.73,-18.4,;17.91,-23.24,;18.08,-24.77,;16.69,-25.41,;16.7,-26.95,;18.03,-27.71,;19.37,-26.94,;20.71,-27.71,;22.03,-26.94,;23.36,-27.71,;23.36,-29.26,;22.03,-30.02,;22.02,-31.56,;20.7,-29.25,;19.38,-30.02,;19.38,-31.56,;18.05,-29.25,;16.72,-30.02,;16.72,-31.57,;15.38,-32.34,;14.05,-31.57,;14.05,-30.03,;15.38,-29.26,;15.38,-27.72,;15.64,-24.27,;14.12,-24.28,;13.33,-22.97,;14.09,-21.63,;15.62,-21.61,;16.38,-20.27,;16.4,-22.93,)|
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C(=O)C(C)C)n(C)c2n1
FC(F)(F)C1CCN(CC1)c1ncnc2ccc(\C=C3/SC(=O)NC3=O)nc12
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(F)ccc3[nH]ccc23)CC1
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2oc(CN3CCN(CC3)C(C)(C)C(N)=O)cc2n1
CC(C)(O)C1CCN(Cc2ccc3nc(nc(N4CCOCC4)c3n2)-c2c(F)ccc3[nH]ccc23)CC1
Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4cnc5c4ncnc5N
CC1=CC(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)=NC1 |c:32,t:1|
CC(Nc1ncnc2[nH]cnc12)C1=C(C#N)C2C=CC(Cl)=CC2N1c1cccc(F)c1 |c:14,19,22|
CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1
Cn1c(nc2c(ncnc12)N1CCC(CC1)n1c2cccnc2[nH]c1=O)C(=O)NCC(F)(F)F
CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(OC2CCN(C)CC2)n1
COc1ccc(cc1NS(C)(=O)=O)-c1cc(-c2ncc(CN3C[C@H](C)O[C@H](C)C3)o2)c2cn[nH]c2c1 |r|
CC(c1oc2ccccc2c(=O)c1-c1cccc(F)c1)n1cnc2c(N)ncnc12
CC(Nc1ncnc2[nH]cnc12)c1c(nc2c(C)cccn12)-c1cc(F)cc(F)c1
Clc1ccc(-c2nc(sc2-c2nnc[nH]2)N2CCOCC2)c(Cl)c1
CC[C@H]1CN(CCO1)c1sc(-c2nnc[nH]2)c(c1C#N)-c1ccc(Cl)cc1Cl |r,wD:2.1,(18.27,-30.7,;16.73,-30.72,;15.95,-29.4,;16.7,-28.05,;15.9,-26.74,;14.36,-26.76,;13.62,-28.1,;14.4,-29.42,;16.81,-25.49,;18.35,-25.49,;18.82,-24.02,;20.29,-23.54,;20.76,-22.08,;22.3,-22.08,;22.78,-23.54,;21.53,-24.45,;17.58,-23.12,;16.33,-24.02,;14.87,-23.55,;13.41,-23.08,;17.58,-21.57,;18.91,-20.8,;18.91,-19.25,;17.57,-18.49,;17.57,-16.95,;16.25,-19.26,;16.24,-20.8,;14.91,-21.57,)|
Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(c1)C(C)(C)C
CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1 |r|
CC(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N |r|
Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1 |r|
CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6
CN(C)CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r,wU:7.6,wD:10.13,(15.91,-32.01,;14.57,-32.78,;14.57,-34.32,;13.24,-32.01,;11.91,-32.77,;11.91,-34.31,;10.57,-32,;9.24,-32.77,;9.24,-34.31,;7.91,-35.08,;6.57,-34.32,;6.57,-32.77,;7.9,-32,;5.24,-35.09,;5.25,-36.63,;3.92,-37.4,;3.92,-38.95,;5.25,-39.72,;6.59,-38.95,;6.58,-37.4,;7.92,-39.72,;8.09,-41.25,;9.59,-41.57,;10.36,-40.24,;11.86,-39.92,;12.33,-38.46,;11.3,-37.31,;9.8,-37.63,;9.33,-39.09,;6.94,-42.28,;5.48,-41.81,;7.27,-43.79,;2.58,-39.72,;1.25,-38.94,;-.09,-39.71,;-.1,-41.25,;1.24,-42.02,;2.59,-41.26,)|
Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1
Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O
Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O
COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CCCNS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CCN(CC)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C |r|
CC(C)(c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1Cl)C(F)(F)F |r|
Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(c3c(=O)n2-c2ccccc2)C(F)(F)F)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2C2CCOCC2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2cccnc2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2N2CCOCC2)c1C#N |r|
COc1cccc2nc([C@@H]3CCCN3c3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Cn1cnc2c(nc(N)nc12)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Nc1ncc(C#N)c(n1)N1CCC[C@H]1c1nc2cccc(c2c(=O)n1-c1ccccc1)C(F)(F)F |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cc(F)cc(F)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#N |r|
Cc1ccccc1-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r,wD:19.21,(7.54,-2.66,;8.88,-3.43,;10.2,-2.66,;11.55,-3.43,;11.54,-4.97,;10.21,-5.74,;8.87,-4.96,;7.54,-5.72,;7.54,-7.28,;6.19,-8.05,;4.85,-7.27,;3.52,-8.04,;2.19,-7.27,;2.19,-5.72,;3.52,-4.95,;3.51,-3.41,;4.85,-5.72,;6.2,-4.94,;6.2,-3.4,;8.87,-8.05,;10.27,-7.42,;11.3,-8.57,;10.52,-9.9,;9.02,-9.58,;7.87,-10.6,;6.41,-10.11,;5.26,-11.14,;5.57,-12.65,;7.04,-13.13,;7.36,-14.64,;8.18,-12.1,;9.65,-12.58,;11.11,-13.05,)|
CO[C@H]1C[C@H](N(C1)c1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Nc1ncnc(N2CSC[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#N |r|
CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C
CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
CC(Nc1cccc(Cl)c1F)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
CC(Nc1ccc(F)cc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C
CC(Nc1ccc(F)c(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4
C[C@@H](Oc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO |r|
C[C@@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 |r|
CCn1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)N1CCOCC1
CC(C)n1c(C)nc2c(nc(nc12)N1CCOCC1)-c1cnc(N)nc1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r|
COc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r|
CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(O)c1-c1ccccc1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccc1 |r|
CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCO)c1-c1ccccc1
COCCNc1c(-c2ccccc2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r|
CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(Cl)c1-c1ccccn1
CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1 |r|
COCc1c(-c2ccccn2)c(nc2ccc(F)cc12)[C@H](C)Nc1ncnc(N)c1C#N |r|
CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C#N)c1-c1ccccn1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccn1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c([S+]([O-])CCO)c1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCN(C)C)c1-c1ccccc1 |r|
CC(Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2cc1-c1ccccn1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(-c2ncccc2C)c1-c1ccccn1 |r,wD:1.1,(-4.01,-2.77,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.55,;-6.68,-3.09,;-8.01,-3.86,;-9.35,-3.1,;-9.35,-1.56,;-10.42,-.94,;-8.02,-.78,;-8.03,.76,;-8.03,1.99,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-2.65,5.39,;-1.32,6.16,;.02,5.38,;.01,3.84,;1.07,3.22,;-2.68,.77,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-5.33,3.86,;-4,3.08,)|
Cc1ccc2OCCn3c(nc4cc(C)ccc34)-c2c1
Cc1ccc2OCCn3c(nc4cc(F)ccc34)-c2c1
Fc1ccc2n3CCOc4ccc(Cl)cc4-c3nc2c1
Fc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Clc1ccc2OCCn3c(nc4cc(Cl)ccc34)-c2c1
Clc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1
Cc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Brc1ccc2OCCn3c(nc4cc(Br)ccc34)-c2c1
Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1
Cc1ccc2OCCn3c(nc4cc(ccc34)C(F)(F)F)-c2c1
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)|
NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:14.16,wD:7.6,(3.73,4.94,;3.72,3.71,;4.78,3.08,;2.38,2.95,;1.05,3.73,;1.06,4.97,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.05,3.73,;2.38,2.95,;2.5,1.43,;4,1.09,;4.49,-.04,;4.79,2.42,;3.77,3.57,;4.03,4.78,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;2.12,4.34,;1.93,3.21,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.15,wD:6.5,(3.73,4.94,;3.72,3.71,;4.79,4.32,;4.78,3.08,;2.38,2.95,;1.05,3.73,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.1,3.76,;2.47,3.09,;3.52,4.21,;2.78,5.56,;1.27,5.27,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
[H][C@]1(C(O)CO)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:12.14,1.0,TLB:2:1:8.7:10.11,THB:13:12:8.7:10.11,(-.64,1.55,;.13,.87,;1.58,1.51,;2.6,.82,;1.69,3.04,;2.79,3.59,;1.39,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.68,-3.13,;-6.25,-1.7,;-5.3,-.49,;-5.76,.65,;-3.58,-4.78,;-4.4,-6.04,;-3.43,-7.23,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.28,;-.83,-4.26,;-2.1,-5.13,)|
Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.33,-.85,;6.11,-.67,;5.4,.7,;3.88,.44,;3.68,-1.07,;5.04,-1.77,;2.26,-1.79,;2.12,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.35,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.2,7.65,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.87,;3.52,6.58,;1.24,5.75,;-.25,6.13,)|
CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
[H][C@]1(C(C)O)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:11.13,1.0,TLB:2:1:7.6:9.10,THB:12:11:7.6:9.10,(-.64,1.54,;.13,.87,;1.58,1.51,;1.76,2.72,;2.54,.74,;1.38,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.67,-3.13,;-6.25,-1.7,;-5.29,-.49,;-5.75,.65,;-3.58,-4.78,;-4.4,-6.03,;-3.42,-7.22,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.27,;-.83,-4.26,;-2.1,-5.13,)|
Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.52,4.21,;2.78,5.56,;1.27,5.27,;1.1,3.76,;2.47,3.09,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.34,-.85,;6.12,-.67,;5.04,-1.77,;3.68,-1.07,;3.89,.44,;5.4,.7,;2.26,-1.79,;2.13,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.36,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.58,3.76,;-2.94,3.04,;-2.99,1.5,;-1.68,.69,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.21,7.66,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.88,;3.52,6.58,;1.25,5.75,;-.25,6.14,)|
CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(3.45,3.56,;2.38,2.95,;1.05,3.73,;1.06,4.97,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
CC(Nc1ccc(F)cc1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
CC(Nc1cccc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
CC(Nc1cccc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
CC(Nc1cccc(F)c1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
C[C@@H](Nc1ccc(F)c(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
CC(Nc1cc(F)ccc1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
C[C@@H](Nc1cccc(Cl)c1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
CC(Nc1ccc(F)c(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
C[C@@H](Nc1cc(F)cc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
CC(Nc1cc(C)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
COc1cc(F)cc(NC(C)c2cc(cc3c2oc(cc3=O)N2CCOCC2)C(=O)N(C)C)c1
CC(Nc1cc(Cl)cc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
C[C@@H](Nc1cc(F)c(F)c(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
C[C@@H](Nc1cc(F)cc(F)c1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
CCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
COCCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
CCN(CC)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC1 |r|
CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCCC1
CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCCCC1
CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC(O)CC1
CNC(=O)c1cc([C@@H](C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1 |r|
CCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCO[C@@H](C)C1)C(=O)N(C)C |r|
C[C@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCO[C@@H](C)C1)C(=O)N(C)C |r|
CN(C)C(=O)c1cc(CNc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
CN(C)C(=O)c1cc(CN(C)c2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
C[C@@H](N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
C[C@@H](Oc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
CC(N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCCC1
C[C@@H](N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO |r|
C[C@@H](N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC(O)CC1 |r|
C[C@H]1COCCN1c1cc(nc(n1)-c1ccc(NC(=S)NCCO)cc1)C1(CC1)S(=O)(=O)C1CC1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2c(ncnc2s1)-c1ccncc1
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cc2c(ncnc2s1)-c1ccncc1
COc1ccc(cn1)-c1cc(CNc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)cc(c1)C(=O)NCCc1ccccc1F
COc1ccc(cn1)-c1cc(CNc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)cc(c1)C(=O)NCCC(C)C
COc1ccc(cn1)-c1cc(CNc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)cc(c1)C(O)=O
COc1ccc(cn1)-c1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)c1
Cc1nnc(NS(=O)(=O)c2ccc(NCc3cc(cc(c3)-c3ccc4OCCOc4c3)C(O)=O)cc2)s1
Cc1nnc(NS(=O)(=O)c2ccc(NCc3cc(cc(c3)-c3ccc4OCOc4c3)C(O)=O)cc2)s1
COc1ccc(cn1)-c1cc(CNc2ccc(cc2)S(=O)(=O)N(C)c2nnc(C)s2)cc(c1)C(=O)NCCc1ccccc1F
COc1ccc(cn1)-c1cc(CNc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)cc(c1)C(=O)NC(CO)CO
OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1ccccc1O |w:7.8,t:1|
Oc1cc(F)ccc1-c1ccc(\C=C2/SC(=O)NC2=O)o1
COc1cc(cnc1Cl)N1CCc2nc(NC(=O)NCCc3cn(CC(F)F)cn3)sc2C1
CC(N(C)c1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Cc1ccc(NCc2cccn3c2nc(cc3=O)N2CCOCC2)cc1
Cc1ccc(cc1)C(=O)Nc1cccn2c1nc(cc2=O)N1CCOCC1
Clc1ccc(NCc2cccn3c2nc(cc3=O)N2CCOCC2)cc1
O=c1cc(nc2c(NS(=O)(=O)c3ccccc3)cccn12)N1CCOCC1
COc1ccc(NCc2cccn3c2nc(cc3=O)N2CCOCC2)cc1
O=C(Nc1ccccc1)Nc1cccn2c1nc(cc2=O)N1CCOCC1
Cc1ccc(cc1)S(=O)(=O)NCc1cccn2c1nc(cc2=O)N1CCOCC1
O=c1cc(nc2c(CNc3ccccc3)cccn12)N1CCOCC1
CN(Cc1cccn2c1nc(cc2=O)N1CCOCC1)c1ccccc1
Cc1ccccc1NCc1cccn2c1nc(cc2=O)N1CCOCC1
Cc1cccc(NCc2cccn3c2nc(cc3=O)N2CCOCC2)c1
O=C(Nc1cccn2c1nc(cc2=O)N1CCOCC1)Oc1ccccc1
CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Cc1cc(Nc2ccccc2C)c2nc(cc(=O)n2c1)N1CCOCC1
Cc1cccc(Nc2cc(C)cn3c2nc(cc3=O)N2CCOCC2)c1
Cc1ccc(Nc2cc(C)cn3c2nc(cc3=O)N2CCOCC2)cc1
Cc1cc(NCc2ccccn2)c2nc(cc(=O)n2c1)N1CCOCC1
Cc1cc(NCc2cccnc2)c2nc(cc(=O)n2c1)N1CCOCC1
Cc1cc(NCc2ccncc2)c2nc(cc(=O)n2c1)N1CCOCC1
C[C@H](Nc1cc(C)cn2c1nc(cc2=O)N1CCOCC1)c1ccccc1 |r|
Cc1cc(Nc2c(C)cccc2C)c2nc(cc(=O)n2c1)N1CCOCC1
Cc1cc(NCc2ccccc2)c2nc(cc(=O)n2c1)N1CCOCC1
Cc1cccc(CNc2cc(C)cn3c2nc(cc3=O)N2CCOCC2)c1
Cc1ccc(CNc2cc(C)cn3c2nc(cc3=O)N2CCOCC2)cc1
C[C@@H](Nc1cc(C)cn2c1nc(cc2=O)N1CCOCC1)c1ccccc1 |r|
O=C(Nc1ccccc1)c1cccn2c1nc(cc2=O)N1CCOCC1
Cc1ccccc1NC(=O)c1cccn2c1nc(cc2=O)N1CCOCC1
O=C(NCc1ccncc1)c1cccn2c1nc(cc2=O)N1CCOCC1
O=C(Nc1cccn2c1nc(cc2=O)N1CCOCC1)c1ccccc1
Cc1ccccc1C(=O)Nc1cccn2c1nc(cc2=O)N1CCOCC1
Cc1cccc(c1)C(=O)Nc1cccn2c1nc(cc2=O)N1CCOCC1
Cc1cccc(NC(=O)c2cccn3c2nc(cc3=O)N2CCOCC2)c1
Cc1ccc(NC(=O)c2cccn3c2nc(cc3=O)N2CCOCC2)cc1
O=C(NCc1ccccn1)c1cccn2c1nc(cc2=O)N1CCOCC1
O=C(NCc1cccnc1)c1cccn2c1nc(cc2=O)N1CCOCC1
Cc1cc(NCc2ccccc2C)c2nc(cc(=O)n2c1)N1CCOCC1
COc1ccc(OCc2cccn3c2nc(cc3=O)N2CCOCC2)cc1
O=c1cc(nc2c(COc3ccc(cc3)C#N)cccn12)N1CCOCC1
Cc1cc(Nc2ccccc2)c2nc(cc(=O)n2c1)N1CCOCC1
CN(c1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
O=c1cc(nc2c(CS(=O)(=O)c3ccccc3)cccn12)N1CCOCC1
O=c1cc(nc2c(CSc3ccccc3)cccn12)N1CCOCC1
O=c1cc(nc2c(COc3ccccc3)cccn12)N1CCOCC1
Cc1ccc(OCc2cccn3c2nc(cc3=O)N2CCOCC2)cc1
CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12
CN(C)CC(=O)N1CCC(CC1)c1nc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1
O=c1[nH]c(CN2CCOCC2)nc2N(C(=S)N3CCCC3c12)c1ccccc1
CC(N1CCOCC1)c1nc2N(C(=S)N3CCCC3c2c(=O)[nH]1)c1ccccc1
S=C1N2CCCC2c2c(nc(CN3CCOCC3)nc2N1c1ccccc1)N1CCOCC1
CC(N1CCOCC1)c1nc(N2CCOCC2)c2C3CCCN3C(=S)N(c3ccccc3)c2n1
CCN1C(=S)N2CCCC2c2c1nc(-c1cccc(O)c1)c(C#N)c2N1CCOCC1
CCN1C(=S)N2CCCC2c2c1nc(-c1cccc(OC)c1)c(C#N)c2N1CCOCC1
CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)cc1)c(C#N)c2N1CCOCC1
CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)c(O)c1)c(C#N)c2N1CCOCC1
CCN1C(=S)N2CCCC2c2c1nc(-c1ccc(OC)c(OC)c1)c(C#N)c2N1CCOCC1
CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1cccc(OC)c1)N1CCOCC1
CCN1C(=S)N2CCCC2c2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1
COc1cccc(c1)-c1nc(N2CCOCC2)c2C3CCCN3C(=S)N(c3ccccc3)c2n1
COc1ccc(cc1)-c1nc(N2CCOCC2)c2C3CCCN3C(=S)N(c3ccccc3)c2n1
CCN1C(=S)N2CCCC2c2c1nc(CN1CCOCC1)[nH]c2=O
CCN1C(=S)N2CCCC2c2c1nc([nH]c2=O)C(C)N1CCOCC1
CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1
COc1ccc(cn1)-c1ccc2nc(N)sc2c1
CCSc1ccc(cn1)-c1ccc2nc(N)sc2c1
COCc1ccc(cn1)-c1ccc2nc(N)sc2c1
CNCc1ccc(cn1)-c1ccc2nc(N)sc2c1
CC(C)Oc1ccc(cn1)-c1ccc2nc(N)sc2c1
CCNc1ccc(cn1)-c1ccc2nc(N)sc2c1
CCN(C)c1ccc(cn1)-c1ccc2nc(N)sc2c1
Cc1ccc(cn1)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1ccc(nc1)C(F)(F)F
CS(=O)(=O)c1ccc(cn1)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
COCCOc1ccc(cn1)-c1ccc2nc(N)sc2c1
CN(C)C(=O)c1ccc(cn1)-c1ccc2nc(N)sc2c1
CC(C)Oc1cncc(c1)-c1ccc2nc(N)sc2c1
CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1ccccn1
Nc1nc2ccc(cc2s1)-c1cccnc1
Nc1nc2ccc(cc2s1)-c1ncccn1
Nc1nc2ccc(cc2s1)-c1cnccn1
Nc1nc2ccc(cc2s1)-c1ccc(=O)[nH]c1
Nc1nc2ccc(cc2s1)-c1cc[nH]c(=O)c1
Cn1ccc(n1)-c1ccc2nc(N)sc2c1
Cn1nccc1-c1ccc2nc(N)sc2c1
Cn1cc(cn1)-c1ccc2nc(N)sc2c1
CCn1cc(cn1)-c1ccc2nc(N)sc2c1
CCCn1cc(cn1)-c1ccc2nc(N)sc2c1
CC(C)n1cc(cn1)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1cnn(c1)C1CC1
Nc1nc2ccc(cc2s1)-c1cnn(CC2CC2)c1
Nc1nc2ccc(cc2s1)-c1cnn(Cc2ccccc2)c1
Cn1ccc(cc1=O)-c1ccc2nc(N)sc2c1
CCn1ccc(cc1=O)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1
COCCOn1ccc(cc1=O)-c1ccc2nc(N)sc2c1
O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1
C[C@@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCS(=O)(=O)CC3)sc2c1
OC(=O)[C@H]1CC[C@H](CNc2nc3ccc(cc3s2)-c2ccn(CC3CC3)c(=O)c2)CC1 |r,wU:6.6,wD:3.2,(11.72,2.53,;11.11,1.45,;11.74,.39,;9.57,1.44,;8.78,2.76,;7.24,2.75,;6.49,1.4,;4.95,1.38,;4.2,.04,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-7.72,3.83,;-9.05,3.06,;-10.51,3.1,;-9.73,1.77,;-5.05,3.84,;-5.05,5.07,;-3.72,3.07,;7.28,.08,;8.82,.1,)|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nc(NC(=O)NC3CC3)nn2c1
CCN(CC)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
CC(C)(C)c1nc-2c(CCc3nc(NC(=O)N4CCC[C@H]4C(N)=O)sc-23)s1 |r|
NC(=O)[C@@H]1CCCN1C(=O)Nc1nc2CCc3sc(CC4CC4)nc3-c2s1 |r|
[H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O |r|
C[C@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r|
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r|
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C(F)(F)F |r|
CN(C)C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r|
CC(C)(C)c1ncc2CCc3nc(NC(=O)N4CCC[C@H]4C(N)=O)sc3-c2n1 |r|
CC(C)(C)c1ncc2CCc3nc(NC(=O)N4CCC[C@@]4(C)C(N)=O)sc3-c2n1 |r|
[H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O |r|
C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)Nc2nc3c(s2)-c4c(cnc(n4)C(C)(C)C)CC3
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r|
CN(C)C[C@]1(CCCN1C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O |r|
CN(C)[C@@H]1C[C@H](N(C1)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O |r|
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C(F)(F)F |r|
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2COc3cnc(cc3-c2s1)C(C)(C)C(F)(F)F |r|
Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]
CN(\N=C\c1ncn2ccccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1ncc2ccccn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cn(C)c2ccccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN([N-][CH+]c1cncc2cc(Br)ccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN([N-][CH+]c1cccc2ccccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN([N-][CH+]c1[o+][n-]c2ccccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cncn1C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN([N-][CH+]c1cnc2ccccc2c1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN([N-][CH+]c1csc2ccccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN([N-][CH+]c1coc2ccccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnc2CCCCn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN([N-][CH+]c1ccnc2ccccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN([N-][CH+]c1cncc2c(Br)cccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN([N-][CH+]c1cncc2ccccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnc2ccccn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN([N-][CH+]c1cncc2ccc(Br)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F
C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F |r|
COCCNc1nc2CC(C)(C)CC(=O)c2s1
CC1(C)Cc2nc(sc2C(=O)C1)N1CCCCC1
O=C1CC2(CCCCC2)Cc2nc(sc12)N1CCOCC1
O=C1CC2(CCCC2)Cc2nc(sc12)N1CCOCC1
O=C1CCCc2nc(sc12)N1CCOCC1
O=C1CC(Cc2nc(sc12)N1CCOCC1)c1ccccc1
CCCC1Cc2nc(sc2C(=O)C1)N1CCOCC1
CC1Cc2nc(sc2C(=O)C1)N1CCOCC1
CC1(C)CNC(=O)c2sc(nc2C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1csc2ccccc12 |r|
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOCC1Cc1c[nH]c2ncccc12
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 |r|
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOCC1Cc1ccc2ccccc2c1
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOCC1Cc1cccc2ccccc12
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1ccccc1 |r|
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@H]1Cc1ccccc1 |r|
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1c1ccccc1 |r|
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@H]1c1ccccc1 |r|
CC1(C)Cc2nc(sc2C(=O)C1)-c1ccncc1
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(Br)cc12
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(cc12)-c1ccccc1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(Br)cc12
Cc1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
COc1ccc2N(CCOc2c1)c1nc2CC(C)(C)NC(=O)c2s1
Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)CC(=O)c4s3)c2c1
Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Cn1ccnc1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Cc1nc(c[nH]1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cc[nH]n1
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(cc12)-c1cn[nH]c1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cn[nH]c1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1c[nH]cn1
Cc1ccc(nn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1ncccn1
Cc1ccc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)CC(=O)c4s3)c2c1
Cc1ccc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(cc12)-c1ccncc1
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(cc12)-c1cccnc1
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccc(cc12)-c1ccccn1
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ncccc12
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ncccc12
CN(C)Cc1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)C1CC1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1ccccc1
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2cc(ccc12)-c1ccccc1
CC(=O)c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2cc(Br)ccc12
Cc1ccc2N(CCOc2c1)c1nc2CC(C)(C)NC(=O)c2s1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2cc(F)ccc12
Cc1cccc2N(CCOc12)c1nc2CC(C)(C)NC(=O)c2s1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2c(F)cccc12
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccccc12
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOc2ccccc12
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOCC1
COc1ccc(nn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1ccc(N)nn1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(Cc2ccccc2)c1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(Cc2cccnc2)c1
Cc1nn(C)cc1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(CCN)c1
Cc1nn(CCCN)cc1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Cn1ncc(c1N)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
COC[C@@H](O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 |r|
COC[C@H](O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 |r|
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(Nc3ccc(nn3)N3CCNCC3)cc12
Cc1n[nH]c(C)c1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CC(C)(O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Cc1nn(CC(C)(C)O)c(C)c1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CCn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CCn1nc(C)c(c1C)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
COCC(O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CN(C)CCCn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CN1CCN(CC1)c1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Cc1cc(C)c(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
Cc1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
CN(C)c1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
COc1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(Nc3ccc(nn3)-c3ccccc3)cc12
CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1ccc(nn1)N1CCNCC1
CN1CCN(CC1)c1ccc(nn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CN(C)c1ccc(nn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
Cc1nn(C)c(C)c1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1
CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN3CCN(CC3)S(C)(=O)=O)c2c1
CCOC(=O)N1CCN(CC#Cc2ccnc3ccc(cc23)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)CC1
O=c1nc(oc2c(cccc12)-c1cccc2c1oc1ccccc21)N1CCOCC1
O=c1nc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
O=c1nc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1
COc1ccc(cc1)-c1cc(Cl)cc2c1oc(nc2=O)N1CCOCC1
Clc1cc(-c2cccs2)c2oc(nc(=O)c2c1)N1CCOCC1
O=c1nc(oc2c(cccc12)-c1cccs1)N1CCOCC1
O=c1nc(oc2c(cccc12)-c1cccc2ccccc12)N1CCOCC1
COc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
O=c1nc(oc2c(cccc12)-c1ccsc1)N1CCOCC1
NC(=O)c1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
OCc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Clc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1
O=C1NC(=S)S\C1=C/c1ccc2ncsc2c1
O=C1NC(=S)S\C1=C/c1ccc2ncccc2c1
Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
C(Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1)c1ccccc1
CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
CC(C)(C)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
CC(C)(C)Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
C(C1CC1)c1nc(NC2CCOCC2)ncc1-c1ccnc(Nc2ccncc2)n1
COc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
C(C1CC1)c1ncncc1-c1ccnc(Nc2ccncc2)n1
CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.23,wD:18.19,(-9.3,9.74,;-9.31,8.51,;-7.98,7.73,;-6.64,8.49,;-5.31,7.71,;-5.32,6.17,;-6.66,5.41,;-6.67,3.87,;-8.01,3.11,;-8.71,1.83,;-9.47,3.17,;-7.99,6.19,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.66,3.08,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.4,-1.39,;1.33,.77,;,1.54,;-4,3.86,)|
CC1CC1C(=O)N1CCN(C[C@H]1C)c1nc(ncc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(cnc1C#N)-c1cnn(C)c1 |r|
C[C@@H]1CN(CCN1C(=O)C1CC1)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl
CC(=O)Nc1nc(C)c(s1)-c1ccc(Br)c(c1)S(=O)(=O)NCCO
COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(C)=O)nc1C
Cc1nc(NC(=O)C(C)(C)C)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Cc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(O)cc1
CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)cc1
COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(=O)C(C)(C)C)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
Nc1nccc(n1)-c1c[nH]c2ncccc12
CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccc(N)nc1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccco1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccn[nH]1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CCN(C)C)c1
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CC(C)C)c1
CCCCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |r,t:16|
C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)N3CCN(CC3)C(=O)C=C)nc12
COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc(OC)c1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1
O=c1cc(oc2c(-c3ccccc3)c3ccccc3cc12)N1CCOCC1
COc1ccc(cc1)-c1c2ccccc2cc2c1oc(cc2=O)N1CCOCC1
Cc1c(Cc2c(CO)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
CC(=O)NCc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)|
Nc1ncnc2n(nc(-c3ccc(F)c(O)c3)c12)C1Cc2ccccc2C1
Nc1ccc2CCC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3cc(O)c(F)c(F)c3)c12)C1Cc2ccccc2C1
Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1Cc2ccccc2C1
Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1
COc1cc(F)cc(c1)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc12
Nc1ncnc2n(nc(-c3cc(O)cc(Cl)c3)c12)C1Cc2ccccc2C1
Cc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3cc(F)c4OCCNc4c3)c12)C1Cc2ccccc2C1
Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3ccc(Cl)c(O)c3)c12)C1Cc2ccccc2C1
COc1cc(F)cc(c1)-c1nn(C2CCc3ccccc23)c2ncnc(N)c12
Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc2C1
COc1cc(F)cc(c1)-c1nn(C2CCc3ccccc3C2)c2ncnc(N)c12
COc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@H]1CCCN1)N1CCOCC1 |r|
C[C@@H](N)C(=O)N1CCC(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
N[C@@H](CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1)c1ccccc1 |r|
NCC(=O)N1CCC(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
CC(C)C[C@H](N)CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
NCCC1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
C[C@H](N)C(=O)N1CCC(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)C1CCNCC1)N1CCOCC1
N[C@H](CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1)Cc1ccccc1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)CCO)cc3)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccc(CN(C)C)cc3)c2c1
CCC(=O)N1CC[C@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccnc2ccc(cc12)-c1ccc(OC)nc1 |r|
COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
CCC(=O)N1CC[C@@H](C1)Oc1cnnc2ccc(cc12)-c1ccc(OC)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r|
COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(C)=O)c2c1 |r|
COc1ccc(cn1)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r|
COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C)C3)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ccnc2ccc(nc12)-c1ccc(OC)nc1 |r|
COc1ccc(cc1OC)-c1ccc2ncnc(O[C@@H]3CCN(C3)C(=O)OC(C)(C)C)c2c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1cnc2ccc(cc2n1)-c1ccc(OC)c(OC)c1 |r|
COc1ccc(cc1OC)-c1ccc2ncnc(O[C@@H]3CCN(C)C3)c2c1 |r|
COc1ccc(cc1OC)-c1ccc2ncnc(O[C@@H]3CCN(C3)C(C)=O)c2c1 |r|
N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2cncc3ccccc23)cc1
COc1cc2ncnc(Nc3ccc(CC#N)cc3)c2cc1OC
N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1
N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccncc2)cc1
C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3[nH]ccc3c2)cc1
N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cc1
C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5
CC(=O)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
[O-][N+](=O)c1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccccc2)cc1
Oc1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CC2CCC(C1)O2
Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1
COC(=O)c1ccc(CSc2ncnc3sc(C)c(C)c23)o1
Cc1ccc2cc3c(OC(=O)COc4ccccc4)nn(C)c3nc2c1
COc1cccc(c1)-c1nc(no1)-c1cc2cc(OC)ccc2[nH]c1=O
Clc1ccc2n(CCC(=O)Nc3ccccc3)c(=O)oc2c1
CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1 |TLB:23:24:31:27.28|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(c2c(=O)n1-c1ccccc1)C(F)(F)F |r|
Nc1ncnc(N2CCC[C@H]2c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N |r|
C[C@H](Nc1ncnc2[nH]ccc12)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
Nc1ncnc(N[C@@H](CCO)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(CO)c2c(=O)n1-c1ccccc1 |r|
Nc1ncnc(NC(CC(F)(F)F)c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
C[C@H](Nc1nc(N)nc(N)n1)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2c(ccc2c(=O)n1-c1ccccc1)C(F)(F)F |r|
C[C@H](Nc1ncnc2[nH]cc(F)c12)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@@H](C1=Nn2cccc2C(=O)N1c3ccccc3)Nc4c(c(ncn4)N)C#N
CC[C@H](Nc1ncnc(N)c1C#N)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1F)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2c(ccc2c(=O)n1-c1ccccc1)C#N |r|
Nc1ncnc(N2CC(F)(F)C[C@H]2c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2c(C)ccc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
Cc1ccc(cc1S(=O)(=O)N(CCO)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(CCc1ccccn1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1OCCN1CCOCC1)C#N
CN(Cc1ccccn1)c1ccc(cc1S(=O)(=O)N(C)\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(CCc1ccncc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(C)CCOc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C(/C)c1cnn2ccc(Br)cc12)[N+]([O-])=O
CN(CCN1CCCCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1NCc1ccccn1)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1OCc1ccccn1)[N+]([O-])=O
CN(Cc1ccncc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(Cc1ccccn1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1OCCN1CCOCC1)[N+]([O-])=O
CN(C)CCNc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(CCN)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(C)CCCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(CCN1CCOCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(CCCN1CCOCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(CCc1cccnc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(CCn1ccnc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(CCc1c[nH]cn1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(CCCN1CCOCC1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)C#N
CN(C)CCN(C)c1ccc(cc1C(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(Cc1ccccn1)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(Br)cc12)[N+]([O-])=O
CCN(CC)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(Br)cc12)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(Br)cc12)S(=O)(=O)c1cc(ccc1OCCN1CCOCC1)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1NCCN1CCOCC1)[N+]([O-])=O
CN(Cc1cccnc1)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)C#N
CN(Cc1ccccn1)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CNCCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 |r|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)nc2)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccc(N)cc2)CC1
Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(cc2n1)C(C)(C)O
Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(CO)c2)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccncc2)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccnc2)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
COc1cc(F)c2[nH]c(c(\C=C3\Oc4ccc(NC(=O)Nc5ccc(cc5)C(=O)N(C)CCN(C)C)cc4C3=O)c2c1)-c1c(C)nn(C)c1C |(16.64,-8.95,;16.64,-10.49,;17.98,-11.27,;17.98,-12.81,;19.32,-13.58,;19.32,-15.12,;20.65,-12.81,;22.12,-13.28,;23.02,-12.03,;22.12,-10.78,;22.71,-9.36,;21.95,-8.02,;22.57,-6.62,;21.42,-5.6,;21.42,-4.06,;20.1,-3.29,;18.76,-4.07,;17.42,-3.3,;17.42,-1.76,;18.75,-.99,;16.08,-1,;16.07,.53,;17.4,1.31,;17.39,2.84,;16.05,3.6,;14.73,2.81,;14.74,1.29,;16.04,5.13,;17.36,5.91,;14.71,5.89,;14.69,7.42,;13.38,5.11,;12.05,5.87,;10.73,5.09,;9.39,5.85,;10.74,3.56,;18.77,-5.6,;20.1,-6.36,;20.42,-7.87,;19.38,-9.02,;20.65,-11.26,;19.31,-10.49,;24.56,-12.03,;25.46,-13.28,;24.99,-14.74,;26.93,-12.8,;26.93,-11.26,;28.18,-10.35,;25.46,-10.78,;24.99,-9.32,)|
COc1ccccc1-n1c(CSc2ncnc3nc[nH]c23)nc2cccc(Cl)c2c1=O |(19.17,3.9,;19.17,2.36,;20.51,1.59,;21.84,2.36,;23.18,1.61,;23.18,.05,;21.86,-.72,;20.52,.04,;19.19,-.72,;19.2,-2.28,;20.54,-3.05,;20.54,-4.59,;21.87,-5.36,;21.86,-6.89,;23.22,-7.65,;24.55,-6.88,;24.53,-5.33,;25.67,-4.3,;25.02,-2.9,;23.5,-3.07,;23.19,-4.57,;17.86,-3.06,;16.53,-2.29,;15.19,-3.06,;13.86,-2.29,;13.85,-.75,;15.18,.02,;15.18,1.56,;16.52,-.75,;17.85,.03,;17.85,1.57,)|
Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(16.77,-15.65,;16.76,-14.1,;18.09,-13.33,;18.08,-11.78,;16.73,-11.01,;15.41,-11.8,;15.41,-13.33,;14.09,-14.11,;14.1,-15.66,;15.44,-16.43,;15.44,-17.98,;14.2,-18.89,;14.68,-20.37,;13.89,-21.68,;14.64,-23.01,;13.86,-24.33,;12.31,-24.31,;11.52,-25.62,;11.57,-22.96,;10.03,-22.93,;12.36,-21.64,;16.22,-20.35,;17.26,-21.49,;16.78,-22.96,;18.76,-21.17,;19.22,-19.7,;18.19,-18.56,;16.7,-18.89,;12.76,-16.44,;11.42,-15.67,;10.08,-16.46,;8.75,-15.68,;8.75,-14.13,;10.08,-13.36,;10.07,-11.82,;11.42,-14.12,;12.75,-13.35,;12.74,-11.81,)|
Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N
CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N
CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N
COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5c(c4)nccn5
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
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|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2
Cn1ncc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(nc12)-c1cccc2[nH]ncc12
Oc1cccc(c1)-c1cc(Nc2ccc3[nH]ncc3c2)nc(n1)N1CCOCC1
COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cccc(O)c2)cn1
Nc1cccc(c1)C#Cc1n[nH]c2ccccc12
Nc1ccc(cc1)C#Cc1n[nH]c2ccccc12
c1cc2cc(cnc2[nH]1)-c1ccncc1
Nc1ncnc2sc(nc12)-c1ccncc1
O=c1[nH]cc(cc1C#N)-c1ccncc1
Oc1ccc2oc(nc2c1)-c1ccncc1
Nc1nc2nc(ccn2n1)-c1ccncc1
Nc1ccc2oc(nc2c1)-c1ccncc1
O=c1[nH]cnc2cc(ccc12)N1CCOCC1
C1CN(CCO1)c1ccnc2[nH]ncc12
Cc1nc(sc1C(O)=O)N1CCOCC1
Nc1ncnc2nc(ncc12)N1CCOCC1
Nc1nc2cc(ccc2s1)-c1ccncc1
Nc1nc2ccc(cc2s1)-c1ccncc1
Nc1nc2ccc(cc2s1)-c1cccc(O)c1
Nc1nonc1-c1noc(Cc2cccs2)n1
COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1
CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2ccccc2)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2cccc(c2)C(N)=O)nc2ccccc12
CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
CC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
CC(=O)Nc1cccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)c1
Cc1nc(N)nc(n1)-n1c(Nc2ccc3cc[nH]c3c2)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2ccc3cn[nH]c3c2)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2ccn[nH]2)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2ccn(C)n2)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2ccn(n2)C(F)F)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2ccon2)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2n[nH]c3ccccc23)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2cn[nH]c2)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2ccnn2C)nc2ccccc12
CNC(=O)c1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)o1
Cc1nc(N)nc(n1)-n1c(NC2CCOCC2)nc2ccccc12
CNc1nc(C)nc(n1)-n1c(Nc2ccn[nH]2)nc2ccccc12
Cc1nc(NCC#N)nc(n1)-n1c(Nc2ccn[nH]2)nc2ccccc12
Cc1nc(NCCC#N)nc(n1)-n1c(Nc2ccn[nH]2)nc2ccccc12
Cc1nc(NCC#C)nc(n1)-n1c(Nc2ccn[nH]2)nc2ccccc12
Cc1nc(N)nc(n1)-n1c(Nc2ccn[nH]2)nc2cc(F)c(F)cc12
Oc1cccc(Nc2nc3ccccc3n2-c2ncnc(NCC#N)n2)c1
CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccc(cc1Cl)C(=O)N(C)C
CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
C[C@H]1CNC[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
CC(=O)N1CCN(CC1c1ccccc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)N1CCNCC1
CN1CCN(CC1)c1cc(ccn1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
CC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2COC2)c2c(N)ncnn12
C[C@H]1CN(C[C@@H](C)N1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12)C1COC1 |r|
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
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
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
FC(F)Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
COc1ccc2n(c(nc2c1O)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
COc1cc(N)cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCN(Cc4ccncc4)CC3)c2c1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3cccnc3)c2c1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3ccncc3)c2c1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1CCOCC1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCCN3CCOCC3)nc2c1
CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCOCC3)c2c1
Cc1c(CN2CCN(CC2)C(=O)CO)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Cc1c(CN2CCN(CC2)C(=O)CN)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
C[C@H](N)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 |r|
Cc1c(CN2CCN(CC2)C(=O)C(C)(C)N)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O
Cc1c(CN2CCN(CC2)C(=O)C(C)(C)O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C
Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)S(=O)(=O)N(C)C)N)C4(CC4)c5ccccc5
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5
CN(\N=C\c1cnn2ccccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2cc(Br)ccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2cccc(Br)c12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(Br)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2c(C)cccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2cc(C)ccc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2cccc(C)c12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(C)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CCc1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2c1
CN(\N=C\c1cnn2ccc(cc12)C(F)(F)F)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)-c1ccccc1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(I)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(Cl)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C1CC1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(C=C)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
COC(=O)c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2c1
CN(\N=C\c1cnn2ccc(cc12)C(N)=O)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CNC(=O)c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2c1
CN(C)C(=O)c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2c1
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2cc(F)c(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
COc1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2c1
CN(\N=C\c1cnn2ccc(O)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(OC(C)=O)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Cc1ccc(cc1S(=O)(=O)NN=Cc1cnn2ccc(cc12)C#N)[N+]([O-])=O |w:12.13|
CC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnn2ccc(cc12)C#N |w:2.2|
CCC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnn2ccc(cc12)C#N |w:3.3|
CCCC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnn2ccc(cc12)C#N |w:4.4|
CC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnn2ccc(Br)cc12 |w:2.2|
CN(N=C(C)c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O |w:2.1|
CCC(=NN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnn2ccc(cc12)C#N |w:3.3|
CCC\C(=N/N(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnn2ccc(cc12)C#N
CN(N=C(C)c1cnn2ccc(Br)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O |w:2.1|
CCN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Cc1ccc(cc1S(=O)(=O)N(Cc1ccccc1)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(C)CCN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
CCN(CC)CCN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Cc1ccc(cc1S(=O)(=O)N(CCN1CCOCC1)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Cc1ccc(cc1S(=O)(=O)N(CCN1CCCCC1)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1ccccc1C
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cccc(c1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1ccc(cc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1c(C)cccc1[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(NC(C)=O)ccc1C
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(NC(=O)C(F)(F)F)ccc1C
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(N)ccc1C
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)C(O)=O
COC(=O)c1ccc(C)c(c1)S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)C#N
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)S(C)(=O)=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)C(F)(F)F
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(C)ccc1C
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(F)ccc1C
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(Cl)ccc1C
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(Br)ccc1C
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
CCc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CC(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1F)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O
COc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)C(=O)c1cc(ccc1C)[N+]([O-])=O
CN(\N=C\c1cnn2ccc(cc12)C#N)C(=O)c1cccc(c1)[N+]([O-])=O
CN(Cc1cc(ccc1C)[N+]([O-])=O)\N=C\c1cnn2ccc(cc12)C#N
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
Fc1ccccc1Cn1ccn2c1nc(cc2=O)N1CCOCC1
Fc1cccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)c1
Fc1ccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cc1
Clc1cccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)c1
Clc1ccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cc1
Cc1ccccc1Cn1ccn2c1nc(cc2=O)N1CCOCC1
Cc1cccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)c1
FC(F)(F)c1cccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)c1
Clc1ccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cc1Cl
Fc1ccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cc1Cl
Clc1cccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)c1Cl
O=c1cc(nc2n(Cc3cccc4ccccc34)ccn12)N1CCOCC1
Cc1c(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cccc1C(F)(F)F
Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl
Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
CCc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Clc1cccc(Cn2c3ccccc3n3c2nc(cc3=O)N2CCOCC2)c1Cl
Cc1c(C)n2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl
Cc1c(C)n2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
O=c1cc(nc2n(Cc3cccc4ccccc34)c3ccccc3n12)N1CCOCC1
Cc1c(Cn2c3ccccc3n3c2nc(cc3=O)N2CCOCC2)cccc1C(F)(F)F
Fc1c(nc2n(Cc3cccc(Cl)c3Cl)ccn2c1=O)N1CCOCC1
Clc1cccc(Cn2ccn3c2cc(nc3=O)N2CCOCC2)c1Cl
Cc1c(Cn2ccn3c2cc(nc3=O)N2CCOCC2)cccc1C(F)(F)F
CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(Cl)c3Cl)c2n1
CC1(C)CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(Cl)c3Cl)c2n1
CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1
C[C@H]1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 |r|
C[C@@H]1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 |r|
OCC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(Cl)c3Cl)c2n1
Cc1c(Cn2ccn3c2nc(cc3=O)C2=CCOCC2)cccc1C(F)(F)F |t:16|
Cc1c(Cn2ccn3c2nc(cc3=O)C2CCOCC2)cccc1C(F)(F)F
Clc1cccc(Cn2ccn3c2nc(cc3=O)N2CCSCC2)c1Cl
Fc1cccc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r|
CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1 |r|
Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r|
Cc1cccc2nc(Cn3cnc4c(N)ncnc34)n(-c3ccccc3)c(=O)c12
C[C@@H](c1nc2cccc(C)c2c(=O)n1-c1ccccc1C)n1cnc2c(N)ncnc12 |r,wD:1.0,(30.32,-29.41,;28.97,-30.16,;27.65,-29.37,;26.31,-30.11,;24.99,-29.33,;23.66,-30.09,;22.33,-29.3,;22.34,-27.77,;23.68,-27,;23.69,-25.46,;25.02,-27.79,;26.35,-27.03,;26.38,-25.49,;27.68,-27.83,;29.02,-27.08,;30.34,-27.88,;31.69,-27.13,;31.71,-25.59,;30.38,-24.79,;29.04,-25.55,;27.72,-24.76,;28.95,-31.7,;30.19,-32.63,;29.69,-34.09,;28.14,-34.06,;27.1,-35.18,;27.55,-36.65,;25.61,-34.84,;25.15,-33.36,;26.21,-32.24,;27.7,-32.59,)|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN2C[C@H](C)O[C@H](C)C2)c1 |r|
COCCNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN(C)Cc2ccc(Cl)cc2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(OCCN(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN2C[C@H](C)O[C@H](C)C2)c1 |r|
CC1=CSC2=CC(=C(C(=O)N12)c3ccccc3)[C@H](C)Nc4c(c(ncn4)N)C#N
CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN(C)Cc2ccccc2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r|
CCN(CCN1CCOCC1)Cc1cccc(c1)-c1c(cc2scc(C)n2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1 |r|
CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN(C)C)c1 |r|
CC(C)CN(C)Cc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1 |r|
CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)CCC(F)(F)F)c1 |r|
CC(C)CN(C)CC1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CNCCN2CCOCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)C)c1 |r|
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1ccc2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ncco2)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(-c2cc(Cl)c3c(N)ncnn23)c1C
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(C)cc(c1)-c1cc(Cl)c2c(N)ncnn12
C[C@@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
CC(C)c1cc(on1)-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1S(C)(=O)=O)-c1cc(Cl)c2c(N)ncnn12
Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F
Nc1ncnn2c(cc(-c3ccnn3CC(F)(F)F)c12)-c1cccc(c1)N1CCOCC1=O
CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
[2H]C1([2H])OC(C)(C)C(=O)N(c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)C1([2H])[2H]
Nc1ncnn2c(cc(Cl)c12)-c1cccc(c1)N1CCOCC1=O
CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F
COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
CC[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r|
C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
Nc1ncnn2c(cc(c12)C(F)(F)F)-c1cccc(c1)N1CCOCC1=O
COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
CC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCCC3)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCCC3)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r|
Nc1ncnc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Cc1nc(N)nc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Cc1nc(N)nc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1nc(N)nc(n1)N1CCC[C@H]1c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#Cc4cccc(F)c4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#Cc4ccccn4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#Cc4cccs4)c3c(=O)n2-c2ccccc2)c1C#N |r|
CC(C)N1CCN(Cc2cnc(s2)C#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCN4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
CC(C)(C)N1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r|
CC(C)(C)N1CCN(CC1)C(=O)C#Cc1cccc2nc([C@@H]3CCCN3c3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCN4CCC(CC4)C4CC(F)(F)C4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCN4CCN(CC5CC5)CC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
CC(F)CN1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r|
CC(C)(CO)N1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r|
CC(COC(F)F)N1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r|
CC(C)(C(O)C=C)N1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r|
COCCOCCNC(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
CC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r|
Cc1ncnc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#Cc4cccnc4)c3c(=O)n2-c2ccccc2)c1C#N |r|
CCOC(=O)c1cnc(s1)C#Cc1cccc2nc([C@@H]3CCCN3c3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12 |r|
[H][C@]12CN(CC#Cc3cccc4nc([C@@H]5CCCN5c5ncnc(N)c5C#N)n(-c5ccccc5)c(=O)c34)[C@]([H])(CN1)C2 |r|
Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCN4CCC(CC4)C4CC(F)C4)c3c(=O)n2-c2ccccc2)c1C#N |r,wD:10.11,(17.77,-40.78,;17.47,-39.27,;16.01,-38.78,;15.71,-37.27,;16.86,-36.25,;18.32,-36.74,;19.48,-35.73,;20.98,-36.06,;21.77,-34.74,;20.75,-33.58,;19.34,-34.19,;18.01,-33.4,;16.66,-34.16,;15.34,-33.37,;14,-34.13,;12.68,-33.35,;12.69,-31.81,;14.04,-31.05,;14.05,-29.51,;14.07,-27.97,;14.09,-26.43,;15.43,-25.68,;16.74,-26.47,;18.08,-25.72,;18.11,-24.18,;16.79,-23.39,;15.43,-24.14,;19.46,-23.42,;20.94,-23.84,;21.35,-22.36,;22.7,-21.61,;19.88,-21.94,;15.36,-31.83,;16.7,-31.08,;16.72,-29.54,;18.02,-31.86,;19.37,-31.11,;20.7,-31.9,;22.04,-31.14,;22.06,-29.6,;20.73,-28.82,;19.38,-29.57,;18.63,-38.25,;20.08,-38.75,;21.54,-39.24,)|
CC(C)(F)CN1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r|
O=c1nc(oc2c(c(OCc3ccccn3)ccc12)-c1ccccc1)N1CCOCC1
Clc1ccc(cc1)-c1c(OCc2ccccn2)ccc2c1oc(nc2=O)N1CCOCC1
COc1ccc(cc1)-c1c(OCc2ccccn2)ccc2c1oc(nc2=O)N1CCOCC1
Clc1ccc(cc1)-c1c(OCc2cccnc2)ccc2c1oc(nc2=O)N1CCOCC1
COc1ccc(cc1)-c1c(OCc2cccnc2)ccc2c1oc(nc2=O)N1CCOCC1
O=c1nc(oc2c(c(OCc3ccncc3)ccc12)-c1ccccc1)N1CCOCC1
Clc1ccc(cc1)-c1c(OCc2ccncc2)ccc2c1oc(nc2=O)N1CCOCC1
COc1ccc(cc1)-c1c(OCc2ccncc2)ccc2c1oc(nc2=O)N1CCOCC1
COc1ccc(cc1)-c1c(OCCN2CCN(C)CC2)ccc2c1oc(nc2=O)N1CCOCC1
OCc1ccc(cc1)-c1c(OCc2ccccc2)ccc2c1oc(nc2=O)N1CCOCC1
O=c1nc(oc2c(c(OCc3cccnc3)ccc12)-c1ccccc1)N1CCOCC1
O=c1nc(oc2c(-c3cc4ccccc4s3)c(OCc3cccnc3)ccc12)N1CCOCC1
COc1ccc(cc1)-c1c(OCCBr)ccc2c1oc(nc2=O)N1CCOCC1
N#CCc1ccc(cc1)-n1cnc2cnc3ccc(cc3c12)C#Cc1cccnc1
Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)C#Cc1cccnc1
CC(C#N)c1ccc(cc1)-n1c(C)nc2cnc3ccc(cc3c12)C#Cc1cccnc1 |w:1.0|
[H][C@@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2 |r|
FC(F)(F)c1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
FC(F)(F)c1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
[H][C@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ncc13)C2)C(F)(F)F |r|
[H][C@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ncc13)C2 |r|
[H][C@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ccc13)C2)C(F)(F)F |r|
[H][C@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ccc13)C2 |r|
[H][C@@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2)C(F)(F)F |r|
[H][C@@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ncc13)C2 |r|
[H][C@@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ccc13)C2)C(F)(F)F |r|
[H][C@@]12CCc3nnc(C)n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ccc13)C2 |r|
Cc1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
Cc1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Cc1nncn1C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)n3cnnc3C(F)(F)F)cc2n1
[H][C@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc(O)c1)C2)C(F)(F)F |r|
[H][C@@]12CCc3nnc(n3[C@@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ncc13)C2)C(F)(F)F |r|
CNCCNC(=O)c1cc(C(C)Nc2cccc(F)c2)c2nc(cnc2c1)N1CCOCC1
CN(C)CCNC(=O)c1cc(CNc2cccc(F)c2C)c2nc(cnc2c1)N1CCOCC1
CN(C)C(=O)c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2nc(cnc2c1)N1CCOCC1 |r|
CN(C)C(=O)c1cc([C@@H]2CCCN2c2cc(F)cc(F)c2)c2nc(cnc2c1)N1CCOCC1 |r|
C[C@H]1CN(C[C@@H](C)N1)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(cnc2c1)N1CCOCC1 |r|
C[C@@H](Nc1cccc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCO |r|
CC(Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C |r|
C[C@H](Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C |r|
CN(C)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(cnc2c1)N1CCOCC1
C[C@H](Nc1cccc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCO |r|
CSc1nn2c(nc(cc2=O)N2CCOC(C)C2)n1Cc1cccc(c1C)C(F)(F)F
CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(c3C)C(F)(F)F)c2n1
CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(Cl)c3Cl)c2n1
CSc1nn2c(nc(cc2=O)-c2ccncc2)n1Cc1cccc(Cl)c1Cl
Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
CSc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
Cc1c(Cn2c(nn3c2nc(cc3=O)N2CCOCC2)C2CC2)cccc1C(F)(F)F
Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl
CSc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl
Clc1cccc(Cn2c(nn3c2nc(cc3=O)N2CCOCC2)C2CC2)c1Cl
COc1ccc(-c2nnc(SCc3cccc(Cl)c3)o2)c(O)c1
COc1ccc(-c2nnc(SCc3ccccc3F)o2)c(O)c1
COc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)c(O)c1
COc1ccc(-c2nnc(SCc3cccc(c3)[N+]([O-])=O)o2)c(O)c1
COc1cccc(CSc2nnc(o2)-c2ccc(C)cc2O)c1
Cc1ccc(-c2nnc(SCc3ccc(cc3)[N+]([O-])=O)o2)c(O)c1
CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1
CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)N3CCOCC3)nn2c1
CN(C)CCNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)Nc3ccccc3)nn2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCc3ccccc3)nn2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3ccccc3)nn2c1
Cc1noc(C)c1CCNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
CN(C)C(=O)CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
Cc1nc(CCNC(=O)Nc2nc3ccc(cn3n2)-c2cncc(c2)S(=O)(=O)NC(C)(C)C)cs1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3nnc(o3)C3CC3)nn2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3nnc(n3)C3CC3)nn2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCCn3nnc(n3)C3CC3)nn2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCC(=O)N3CCCC3)nn2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCC(=O)N3CCOCC3)nn2c1
CN1CCN(CC1)C(=O)CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cnccn3)nn2c1
CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCN3CCOCC3)nn2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3cccn3)nn2c1
CNC(=O)CNC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NC(C)(C)C
COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3
Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccc(F)cc12
Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2cc(F)ccc12
Cn1c(Cc2nc3ccc(F)cc3[nH]2)nc(cc1=O)N1CCOCC1
Fc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1
Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4
O=c1cc(nc(Cc2nc3ccccc3o2)[nH]1)N1CCOCC1
O=c1cc(nc(Cc2nc3ccccc3[nH]2)[nH]1)N1CCOCC1
Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2cc(ccc12)-c1ccccc1
CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3)N4CCOCC4
Cc1cc(F)ccc1Oc1cccc2c(O)cc(nc12)N1CCOCC1
Cc1cc2c(c(c1)[C@H](C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4
Fc1ccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1-c1ccccc1
O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccncc2)[nH]1)N1CCOCC1
O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccn2)[nH]1)N1CCOCC1
O=c1cc(nc(Cc2nc3c(cccc3o2)-c2cccs2)[nH]1)N1CCOCC1
O=c1cc(nc(Cc2nc3cccc(-c4ccccc4)c3o2)[nH]1)N1CCOCC1
Brc1cccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc12
Cc1cccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)oc12
Cc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)oc2c1
Cc1cccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc12
Fc1cccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)oc12
Fc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)oc2c1
Fc1ccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1
Fc1cccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc12
Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccc(cc12)-c1ccccc1
Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2cccc(-c3ccccc3)c12
O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1
O=c1cc(nc(Cc2nc3ccccc3n2Cc2ccccc2)[nH]1)N1CCOCC1
O=c1cc(nc(Cc2nc3ccccc3n2-c2ccccc2)[nH]1)N1CCOCC1
O=c1cc(nc(Cc2nc3ccccc3n2C2CCCCC2)[nH]1)N1CCOCC1
COCCn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2cc(F)ccc12
Fc1ccc2n(C3CC3)c(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1
CCn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccccc12
FC(F)(F)c1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1
COc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1
Cc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1
Clc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1
Brc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1
O=c1cc(nc(Cc2nc3c(cccc3o2)-c2cccnc2)[nH]1)N1CCOCC1
Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2c(cccc12)-c1ccccc1
O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1
CN(C)c1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O
CC(=O)Nc1nc2ccc(cn2n1)-c1cc(C)c(O)c(C)c1
COc1cccc(c1)-c1ccc2nc(NC(C)=O)nn2c1
COc1ccc(cc1OC)-c1ccc2nc(NC(C)=O)nn2c1
CC(=O)Nc1nc2ccc(cn2n1)-c1cccc(c1)S(C)(=O)=O
CC(=O)Nc1nc2ccc(cn2n1)-c1cccc(NS(C)(=O)=O)c1
CNS(=O)(=O)c1cccc(c1)-c1ccc2nc(NC(C)=O)nn2c1
CNC(=O)c1cccc(c1)-c1ccc2nc(NC(C)=O)nn2c1
CNS(=O)(=O)c1ccc(cc1)-c1ccc2nc(NC(C)=O)nn2c1
CCCCNS(=O)(=O)c1cccc(c1)-c1ccc2nc(NC(C)=O)nn2c1
CC(=O)Nc1nc2ccc(cn2n1)-c1cccc(c1)S(=O)(=O)NCc1ccccc1
CC(=O)Nc1nc2ccc(cn2n1)-c1cccc(c1)-c1ccccc1
COc1ccc(cc1S(=O)(=O)NCc1ccccc1)-c1ccc2nc(NC(C)=O)nn2c1
CC(=O)Nc1nc2ccc(cn2n1)-c1cncnc1
CC(=O)Nc1nc2ccc(cn2n1)-c1cncc2ccccc12
CC(=O)Nc1nc2ccc(cn2n1)-c1ccncc1
CC(=O)Nc1nc2ccc(cn2n1)-c1cnn(C)c1
COc1cncc(c1)-c1ccc2nc(NC(C)=O)nn2c1
CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NCc1ccccc1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2nc(NC(=O)C3CCCCC3)nn2c1
CN(C(C)=O)c1nc2ccc(cn2n1)-c1cccc(c1)S(C)(=O)=O
CNc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O
CS(=O)(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O
Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)Nc1cccc2ccccc12
Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)Nc1ccc(Cl)cc1
Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NCc1ccccc1
CC(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1
Nc1nc2ccc(cn2n1)-c1cncc(c1)S(=O)(=O)NCC1CC1
CC(=O)Nc1nc2c(C)cc(cn2n1)-c1cncc(c1)S(C)(=O)=O
CC(=O)Nc1nc2cc(C)c(cn2n1)-c1cncc(c1)S(C)(=O)=O
CC(=O)Nc1nc2ccc(-c3cncc(c3)S(C)(=O)=O)c(C)n2n1
CS(=O)(=O)c1cncc(c1)-c1cc(c2nc(N)nn2c1)C(F)(F)F
CS(=O)(=O)c1cncc(c1)-c1cc(Cl)c2nc(N)nn2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1cc(F)c2nc(N)nn2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1cn2nc(N)nc2cc1F
COc1ccccc1-c1ccc2nc(NC(C)=O)nn2c1
CC(=O)Nc1nc2ccc(cn2n1)-c1sc(C)nc1C
COc1ccc(cc1)-c1ccc2nc(NC(C)=O)nn2c1
CC(=O)Nc1nc2ccc(cn2n1)-c1ccc(cc1)S(C)(=O)=O
CC(=O)Nc1nc2ccc(cn2n1)-c1cccnc1
CC(=O)Nc1nc2ccc(cn2n1)-c1ccsc1
CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(CS(N)(=O)=O)c1
Nc1nc2ccc(cn2n1)-c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1
CC(C)(C)S(=O)(=O)c1cncc(c1)-c1ccc2nc(N)nn2c1
CC(=O)Nc1nc2c(F)cc(cn2n1)-c1cncc(c1)S(C)(=O)=O
NC(=O)[C@@H]1CCCN1C(=O)Nc1nc2ccc(cc2s1)-c1cnc(N)c(c1)C(F)(F)F |r|
CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)S(N)(=O)=O
CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)S(C)(=O)=O
CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Cl)c1)S(C)(=O)=O
CC(=O)Nc1nc(C)c(s1)-c1ccc(c(F)c1)S(C)(=O)=O
CC(=O)Nc1nc(C)c(s1)-c1ccc(c(c1)C#N)S(C)(=O)=O
CC(=O)Nc1nc(C)c(s1)-c1ccc(c(c1)C(F)(F)F)S(C)(=O)=O
CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)-n1cccn1
CC(=O)Nc1nc(C)c(s1)-c1ccc(cc1)C(C)=O
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)S(C)(=O)=O |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(F)c1)S(C)(=O)=O |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(c1)C(F)(F)F)S(C)(=O)=O |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1 |r|
Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1
Cc1nc(NC(=O)NCCC(=O)OC(C)(C)C)sc1-c1ccc(c(F)c1)S(C)(=O)=O
Cc1c(sc(n1)NC(=O)NCCC(=O)NC(C)(C)C)c2ccc(cc2)C(=O)C
CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Br)c1)S(C)(=O)=O
Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)no1
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
CC(C)(O)C1CCN(Cc2ccc3nc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ccc23)CC1
CC(C)(O)C1CCN(Cc2ccc3nc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
CC(C)(O)C1CCN(Cc2ccc3nc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CCOCC3)ccc2n1
OCc1ccc2nc(nc(N3CCOCC3)c2n1)-c1c(F)ccc2[nH]ccc12
CC(C)(O)C1CCN(Cc2nc3c(nc(nc3s2)-c2c(F)ccc3[nH]ccc23)N2CCOCC2)CC1
CC(C)(O)C1CCN(Cc2nc3nc(nc(N4CCOCC4)c3[nH]2)-c2c(F)ccc3[nH]ccc23)CC1
CC(C)(O)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(F)ccc3[nH]ccc23)CC1
Fc1ccccc1NC(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Fc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1
Cc1ccccc1NC(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Cc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
Clc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1
Clc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
COc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
Brc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1F
Cc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1Cl
COc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1Br
COC(=O)c1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
[O-][N+](=O)c1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Cn1c(CC(=O)Nc2ccccc2)nc(cc1=O)N1CCOCC1
Cn1c(CC(=O)Nc2ccc(F)cc2)nc(cc1=O)N1CCOCC1
Cn1c(CC(=O)Nc2ccc(F)c(F)c2)nc(cc1=O)N1CCOCC1
Cn1c(CC(=O)Nc2ccc(F)c(Br)c2)nc(cc1=O)N1CCOCC1
COc1cc(NC(=O)Cc2nc(cc(=O)n2C)N2CCOCC2)ccc1F
Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOCC1
COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1nccnc1-c1ccc(OC)cc1
CNC(=O)c1nc(cnc1N)-c1cccc(c1)-c1nnn[nH]1
COc1ccc(cc1)-c1nccnc1N1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cnc(N)nc1
CC(C)c1ccc(cc1)-c1nccnc1N1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cnc(N)nc1
CC(C)c1ccc(cc1)-c1ncccc1N1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cnc(N)nc1
CNC(=O)c1nc(cnc1N)-c1cccc(c1)C(F)(F)F
CNC(=O)c1nc(cnc1N)-c1cccc(c1)S(=O)(=O)Nc1ccccc1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)NC
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(N)(=O)=O
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)NCC(F)(F)F
CNC(=O)c1nc(cnc1N)-c1ccc(OC)c(c1)S(=O)(=O)Nc1ccccc1
CNC(=O)c1nc(cnc1N)-c1ccc(F)c(c1)S(=O)(=O)Nc1ccccc1
CNC(=O)c1nc(cnc1N)-c1cnc(N)c(c1)S(=O)(=O)Nc1ccccc1
CNC(=O)c1nc(cnc1N)-c1cccc(NS(=O)(=O)c2ccccc2)c1
CNC(=O)c1nc(cnc1N)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(C)c1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(OC)c1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(Cl)c1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1Cl
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1
CNC(=O)c1nc(cnc1N)-c1cccc(c1)S(=O)(=O)Nc1cccc(Cl)c1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)cc1Cl
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1Cl
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1Cl
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(Cl)c1Cl
CNC(=O)c1nc(cnc1N)-c1cccc(c1)S(=O)(=O)Nc1cccc(F)c1F
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1C
Nc1cnc(cn1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
Nc1ncc(cn1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
COc1nc(N)ncc1-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
Nc1ncc(-c2ccc(Cl)c(c2)S(=O)(=O)Nc2cccc(F)c2F)c(OCC(F)(F)F)n1
O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1
COc1ccc(Nc2ncc(Cc3ccc(cc3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(Cc3ccccc3)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CCS(=O)(=O)CC3)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CCC(C3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CCCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CC3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CCC(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CCN(CC3)S(=O)(=O)N(C)C)cc2-c2nc(C)nc(N)n2)cn1
Cc1nc(nc(n1)N)c2cc(cnc2Nc3ccc(nc3)OC)CN4CCN(CC4)S(=O)(=O)C
COc1ccc(Nc2ncc(CN3CCN(CC3)C(=O)N(C)C)cc2-c2nc(C)nc(N)n2)cn1
COC(=O)N1CCN(Cc2cnc(Nc3ccc(OC)nc3)c(c2)-c2nc(C)nc(N)n2)CC1
COc1ccc(Nc2ncc(CN3CCN(C)CC3)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CCNCC3)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CC[C@@H](CO)C3)cc2-c2nc(C)nc(N)n2)cn1 |r|
COc1ccc(Nc2ncc(CN3CCC(O)CC3)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CCCCC3)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CCCC3)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(CN3CCC3)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)-c2cnn(C)c2)cn1
COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)-c2ccc(C)nc2)cn1
COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)N2CCN(C)CC2)cn1
COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C2=CCOCC2)cn1 |t:23|
COc1ccc(Nc2ncc(cc2-c2nc(C)nc(N)n2)N2CCOCC2)cn1
COCCNCc1cnc(Nc2ccc(OC)nc2)c(c1)-c1nc(C)nc(N)n1
COCc1cnc(Nc2ccc(OC)nc2)c(c1)-c1nc(C)nc(N)n1
COc1ccc(Nc2ncc(CO)cc2-c2nc(C)nc(N)n2)cn1
COc1cnc(Nc2ccc(OC)nc2)c(c1)-c1nc(C)nc(N)n1
COc1ccc(Nc2ncc(C)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(Br)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2nccnc2-c2cc(N)nc(C)n2)cn1
COc1ccc(Nc2nccnc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ncncc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2cccnc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2cnccc2-c2nc(C)nc(N)n2)cn1
COc1ccc(Nc2ccccc2-c2nc(C)nc(N)n2)cn1
Cc1cc(nc(N)n1)-c1cccnc1Nc1cccc(O)c1
COc1ccc(cn1)N(C)c1ncccc1-c1nc(C)nc(N)n1
Cc1cc(nc(N)n1)-c1cccnc1Oc1cccc2[nH]ccc12
Cc1nc(-c2cccnc2Nc2cccc3n[nH]cc23)c2c[nH]nc2n1
COc1ccc(Nc2ncccc2-c2ncnc3nc[nH]c23)cn1
N(c1cccc2n[nH]cc12)c1ncccc1-c1ncnc2nc[nH]c12
COc1ccc(Nc2ncccc2-c2nc(C)nc3nc[nH]c23)cn1
Cc1nc(-c2cccnc2Nc2cccc3[nH]ccc23)c2[nH]cnc2n1
Cc1nc(-c2cccnc2Nc2cccc3n[nH]cc23)c2[nH]cnc2n1
Nc1cc(nc(n1)C(F)(F)F)-c1cccnc1Nc1cccc2[nH]ncc12
Cc1nc(N)c(F)c(n1)-c1cccnc1Nc1cccc2[nH]ncc12
Cc1nc(N)cc(n1)-c1cccnc1Nc1cccc2[nH]ncc12
Cc1nc(N)cc(n1)-c1cccnc1Nc1cccc(O)c1
COc1ccc(Nc2ncccc2-c2nc(C)nc(N)n2)cn1
Cc1nc(N)nc(n1)-c1cccnc1Nc1cccc2[nH]ccc12
Cc1nc(N)nc(n1)-c1cccnc1Nc1cccc2[nH]ncc12
Cc1nc(N)nc(n1)-c1cccnc1Nc1cccc(O)c1
Cc1ncnc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Cc1nc(NCC#N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3(C)C)C3COC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)C(C)(C)O)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)C(C)(C)C(N)=O)cc2n1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-n2c(C)nc3ccccc23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-n2cnc3ccccc23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-n2ccc3ccccc23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c[nH]c3ccccc23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-n2ncc3ccccc23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2n[nH]c3ccccc23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(C)sc3ccccc23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(C)ncc3ccccc23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3nccn23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(C)c2)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3NC(=O)Cc23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(F)ccc3[nH]ccc23)CC1
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2ccnc3[nH]ccc23)CC1)C(N)=O
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cncc3[nH]ccc23)CC1)C(N)=O
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2nccc3[nH]ccc23)CC1)C(N)=O
Cn1ccc2c(cccc12)-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)C(C)(C)C(N)=O)cc2n1
Cc1cc2c(cccc2[nH]1)-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)C(C)(C)C(N)=O)cc2n1
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(F)cc(F)c3[nH]ccc23)CC1)C(N)=O
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cc(cc3[nH]ccc23)C#N)CC1)C(N)=O
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cc(F)cc3[nH]ccc23)CC1)C(N)=O
Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2sc(CN3CCN4CCOC[C@H]4C3)cc2n1 |r|
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(F)ccc3[nH]ccc23)CC1)C(N)=O
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1)C(N)=O
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1)C(N)=O
C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r|
Cc1c(nc2cc(F)ccc2c1N1CC2(CS(=O)(=O)C2)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Cc1cc(nc(N)n1)-c1ccc2c(c1)N(CC2(C)C)c1c(C)c(nc2cc(F)ccc12)-c1ccccn1
Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1
Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccncc1)-c1ccccn1
Cc1c(nc2cc(F)ccc2c1N1CC(CO)(CO)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccnc(N)n1)-c1ccccn1
Cc1nc2ccc(Cl)cc2c(N2CC(C)(C)c3ccc(cc23)N2CCOCC2)c1C
Cc1nc2ccccc2c(N2CC(C)(C)c3ccc(cc23)N2CCOCC2)c1C
Cc1c(nc2ccccc2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1ccccc1F
Cc1nc2ccccc2c(N2CC3(CCOCC3)c3ccc(cc23)N2CCOCC2)c1C
Cc1c(nc2cccc(F)c2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Cc1c(nc2ccccc2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1ccccc1
Cc1c(nc2ccccc2c1N1CC2(CCOCC2)c2ccc(cc12)N1CCOCC1)-c1ccccc1
Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1ccccn1
Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1cccnc1
COC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)C(C)(C)C)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)sc2n1
Cn1c(CN2CCC(CC2)C(C)(C)O)nc2c(nc(nc12)-n1c(nc2ccccc12)N1CCOCC1)N1CCOCC1
CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
Cn1c(CN2CCC(CC2)C(C)(C)O)nc2c(nc(nc12)-n1c(nc2ccccc12)C1CC1)N1CCOCC1
CC(O)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
CN(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2[nH]c(CN3CCC(CC3)C(C)(C)O)nc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)C(C)(C)O)nc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)S(C)(=O)=O)n(C)c2n1
Cn1c(CN2CCC(CC2)C(C)(C)O)nc2c(nc(nc12)-n1c(nc2ccccc12)C1CCCO1)N1CCOCC1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3C[C@@H]4C[C@H]3CN4C3COC3)n(C)c2n1 |r|
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CC(C3)C3CCOCC3)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)C(C)(C)C(N)=O)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2ccc(nc2n1)N1CCC(CC1)C(C)(C)O
Nc1nc2cc(ccn2n1)-c1cncc(c1)S(=O)(=O)Nc1ccccc1
CNS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC1(C)CCN1S(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1)C(F)(F)F
CC(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Nc1nc2cc(ccn2n1)-c1cncc(c1)S(N)(=O)=O
CS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1cc(F)n2nc(N)nc2c1
Nc1nc2cc(ccn2n1)-c1cncc(c1)S(=O)(=O)NCC(F)(F)F
CCN(CC)S(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Nc1nc2cc(ccn2n1)-c1cncc(c1)S(=O)(=O)NCc1ccccc1
COCCOc1cnc(Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c(c1)-c1nc(C)nc(N)n1
COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)c(c1)-c1nc(C)nc(N)n1
CN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl
Cc1nc(N)nc(n1)-c1cccnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1
Cc1c(OCc2cccnc2)ccc2c1oc(nc2=O)N1CCOCC1
O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2nc1-c1cscn1 |r|
Cc1cccc2nc(c(Cn3nc(C#N)c4c(N)ncnc34)nc12)-c1ccccc1Cl
CC(c1nc2n(C)nc(Br)c2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12
CC(c1nc2cccnc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12
COCC(O)Cn1cc(cn1)-c1ccc2OCCN(C3=NC4CC(C)(C)NC(=O)C4S3)c2c1 |t:20|
Cc1ccc(nn1)-c1ccc2OCCN(C3=NC4CC(C)(C)NC(=O)C4S3)c2c1 |t:16|
COc1ccc(cc1OC)-c1ccc2OCCN(C3=NC(=O)C(C)(C)S3)c2n1 |t:19|
Nc1ncc(nc1C(=O)c1cccnc1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1
CCN(CC)C(=O)c1cccc(Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)n1
CCNC(=O)Nc1nc2ccc(cc2s1)-c1cncc(c1)C(F)(F)F
CCOC(=O)CCNC(=O)Nc1nc2CCN(Cc2s1)c1cnc(Cl)c(OC)c1
CC(=O)NCCNS(=O)(=O)c1ccc(o1)-c1sc(NC(C)=O)nc1C
O=C(Nc1nnn[nH]1)c1cnc(nc1OC1CCCCCC1)N1CCOCC1
COc1cc2c(CC3CCCC(C)C3)c(sc2cc1C)C(=O)Nc1nnn[nH]1
Oc1nc(S)sc1Cc1ccc2OCC(=O)N(Cc3ccc(F)c(Cl)c3)c2c1
CC(=O)[N-]c1nc(C)c(s1)-c1csc(n1)C(=O)Nc1nnn[nH]1
COc1ccc(NC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c23)cc1
C1CN(CCO1)c1nc(cc2ccccc12)-c1cccc2[nH]ccc12
CC(C)Cn1cnc2oc(C)c(C(=O)NCc3ccccc3)c2c1=O
CN(C)CCCOc1cccc2n(c(nc12)C(F)F)-c1nc(OC2CCN(CC2)C(=O)CCl)nc(n1)N1CCOCC1
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)ncc1Cl)c1cc2cccc(Cl)c2nc1-c1ccccn1 |r|
Cc1ccc(c(c1)-c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C)S(C)(=O)=O
Cc1c(Nc2cc(cnc2-c2ccc(O)cc2)N2CCOCC2)c2c(F)cc(F)cc2nc1-c1ccccn1
C[C@H](Nc1ncnc2nc[nH]c12)c1nc2ccsc2c(=O)n1-c1ccccc1 |r|
C[C@@H](c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12 |r|
OC1=NC(=O)C(S1)=Cc1ccc2OC(F)(F)Oc2c1 |w:7.8,t:1|
CC(C)n1ncnc1-c1cn2CCOc3ccc(CN4CCC(CC4)C(C)(C)O)cc3-c2n1
CC(C)n1ncnc1-c1cn2CCOc3ccc(cc3-c2n1)[S@@+]([O-])C1CCN(CC1)C(C)(C)C |r|
CC(C)n1ncnc1-c1cn2CCOc3ccc(cc3-c2n1)[S@+]([O-])C1CCN(CC1)C(C)(C)C |r|
CC(C)n1ncnc1-c1cn2CCOc3ccc(cc3-c2n1)S(=O)(=O)N1CCN(CC1)C(C)(C)C
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1ccc(OC)nc1 |r|
COc1ccc(cn1)N1CCc2ncnc(-c3cccc(OC4CCN(CC4)C(C)=O)c3)c2C1
COc1ccc(cn1)N1CCc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2C1
O=C(Nc1cc(cc2[nH]ncc12)-c1cccc2[nH]ccc12)c1ccccn1
Oc1cccc(c1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1
Oc1ccc(cc1)-c1cc(NC(=O)C2CC2)c2cn[nH]c2c1
Oc1cccc(c1)-c1cc(NC(=O)C2CC2)c2cn[nH]c2c1
Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Oc1ccc(cc1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1
O=C(Nc1cc(cc2[nH]ncc12)-c1ccccc1)C1CC1
O=C(Nc1cc(cc2[nH]ncc12)-c1ccc2cc[nH]c2c1)c1ccccn1
O=C(Nc1cc(cc2[nH]ncc12)-c1cccc2[nH]ccc12)C1CC1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3=O)C(=O)C3CCC3)n(C)c2n1
COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCCO)c1=O |r,wU:19.20,wD:22.27,(7.3,4.56,;5.97,5.33,;4.64,4.56,;3.3,5.33,;1.97,4.56,;1.97,3.02,;3.3,2.25,;4.64,3.02,;.64,2.25,;-.7,3.02,;-2.03,2.25,;-3.37,3.02,;-3.37,4.56,;-4.7,2.25,;-4.7,.71,;-6.03,-.06,;-3.37,-.06,;-2.03,.71,;-.7,-.06,;-.7,-1.6,;.64,-2.37,;.64,-3.91,;-.7,-4.68,;-2.03,-3.91,;-2.03,-2.37,;-.7,-6.22,;.64,-6.99,;.64,-8.53,;1.97,-9.3,;.64,.71,;1.97,-.06,)|
COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ccc(cc3)C(=O)NO)cc2n1
COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1
Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCOCC1
COc1ncc(cc1C(=O)Oc1ccc(F)cc1)-c1cc(-c2ncc(CN3CCN(CC3)C(C)C)o2)c2cn[nH]c2c1
Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
c1ccc2c(n[nH]c2c1)C#Cc1ccncc1
Cc1c(Cl)cccc1Cn1c(N)nc(=O)c2sc(nc12)N1CCOCC1
Cc1c(Cl)cccc1Cn1c(SCC(O)=O)nc(=O)c2sc(nc12)N1CCOCC1
CSc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1
Cc1c(Cl)cccc1Cn1c2nc(sc2c(=O)[nH]c1=S)N1CCOCC1
COc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1
Cc1c(Cl)cccc1Cn1c2nc(sc2c(=O)[nH]c1=O)N1CCOCC1
Cc1c(Cl)cccc1Cn1c(CO)nc(=O)c2sc(nc12)N1CCOCC1
Cc1c(Cn2c(CN)nc(=O)c3sc(nc23)N2CCOCC2)cccc1C(F)(F)F
Cc1c(Cn2c(CO)nc(=O)c3sc(nc23)N2CCOCC2)cccc1C(F)(F)F
Cc1c(Cn2c(Cc3ccccc3)nc(=O)c3sc(nc23)N2CCOCC2)cccc1C(F)(F)F
Cc1c(Cn2c(nc(=O)c3sc(nc23)N2CCOCC2)-c2ccccc2)cccc1C(F)(F)F
Cc1c(Cn2c(nc(=O)c3sc(nc23)N2CCOCC2)C2CC2)cccc1C(F)(F)F
CCc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1
Cc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1c(Cl)cccc1Cn1cnc(=O)c2sc(nc12)N1CCOCC1
Clc1cccc(Cn2cnc(=O)c3sc(nc23)N2CCOCC2)c1Cl
Clc1cccc(Cn2cnc(=O)c3sc(nc23)N2CCOCC2)c1
Clc1sccc1Cn1cnc(=O)c2sc(nc12)N1CCOCC1
Clc1ccccc1Cn1cnc(=O)c2sc(nc12)N1CCOCC1
O=c1ncn(CCc2ccccc2)c2nc(sc12)N1CCOCC1
CC(c1ccccc1)n1cnc(=O)c2sc(nc12)N1CCOCC1
Cc1ccccc1Cn1cnc(=O)c2sc(nc12)N1CCOCC1
O=c1ncn(Cc2ccccc2)c2nc(sc12)N1CCOCC1
Cc1c(Cn2cnc(=O)c3sc(nc23)N2CCOCC2)cccc1C(F)(F)F
CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3cccc(c3)C(=O)OC)c2c1
CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C
CC[C@H](C)[C@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
C[C@@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
C[C@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
CC(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
NCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
CN(C)CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
CN[C@@H](C)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
NCCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
NCCCC[C@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCN1)N1CCOCC1 |r|
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
Cc1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
CC(C)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
COc1ccc2nc(C(F)F)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1
COc1ccc2n(c(nc2c1)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
COc1ccc2n(c(C)nc2c1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
COc1ccc2n(c(nc2c1)C(C)C)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
COc1ccc2nc(C)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1
COc1ccc2nc(C(C)C)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1
CN1CCN(CC1)c1ncc(cn1)-c1csc2c1oc(cc2=O)N1CCOCC1
S=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1cccnc1
CNc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
CC(=O)Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
COc1ccc(cc1)C#Cc1csc2c1oc(cc2=O)N1CCOCC1
FC(F)(F)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Clc1ccc(cc1Cl)-c1csc2c1oc(cc2=O)N1CCOCC1
Clc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
O=c1cc(oc2c(csc12)-c1ccc(cc1)C#N)N1CCOCC1
O=c1cc(oc2c(Cc3ccccc3)csc12)N1CCOCC1
COc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
O=c1cc(oc2c(csc12)-c1ccoc1)N1CCOCC1
O=c1cc(oc2c(csc12)-c1ccsc1)N1CCOCC1
O=c1cc(oc2c(csc12)-c1ccc2[nH]ccc2c1)N1CCOCC1
Cc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Cc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
O=c1cc(oc2c(csc12)-c1cccs1)N1CCOCC1
CS(=O)(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
O=c1cc(oc2c(csc12)-c1cc2ccccc2[nH]1)N1CCOCC1
CN(C)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
COc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
O=c1cc(oc2c(csc12)-c1ccc2OCOc2c1)N1CCOCC1
O=c1cc(oc2c(csc12)-c1ccco1)N1CCOCC1
O=c1cc(oc2c(csc12)-c1ccncc1)N1CCOCC1
O=c1cc(oc2c(csc12)-c1cccnc1)N1CCOCC1
C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O |r|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2ccc(N)nc2)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2ccc[nH]c2=O)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cn(C)cn2)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2ncc[nH]2)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCNCC2)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCCN2)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCNC2)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(CNCCO)ccc-23)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(CNC(C)=O)ccc-23)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C(O)CO)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3cc(CO)ccc-23)s1
CC(C)n1ncnc1-c1nc-2c(CCOc3ccccc-23)s1
CC(C)n1ncnc1-c1cc2CCOc3cc(ccc3-c2s1)C(N)=O
Cc1nc(NC(=O)N2CCC[C@@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C |r|
CC(C)c1cc(ncn1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C |r|
C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(NC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(N(C)C3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCC(CC3)C(C)(C)O)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C3)C(=O)C(C)C)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(NC3CN(C3)C(=O)C(C)C)n(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(C(=O)N3CCN(CC3)C(C)(C)C(N)=O)c(C)c2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCN(CC3)C(C)(C)C(N)=O)n(C)c2n1
Cn1c(CN2CCC(CC2)C(C)(C)O)nc2c(nc(nc12)-c1cccc2[nH]ncc12)N1CCOCC1
CC(C)(O)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CCNC(=O)Nc1ccc(cc1)-c1nc(N2C[C@@H]3C[C@H]2CO3)c2n(C)ncc2n1 |r,THB:14:15:20.21:18|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)nc(C)c2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)ncc2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)ncc2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)ccc2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)ccc2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCCOCC2)c2n(C)cnc2n1
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)cnc2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@H]2C)c2n(C)cnc2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(CC)cnc2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2ncn(CC)c2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)cnc2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)c(nc2n1)C(C)(C)O |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2ncn(C)c2n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2nc(n(C)c2n1)C(C)(C)O |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2nc(n(CCO)c2n1)C(C)(C)O |r|
CC(C)(O)c1nc2c(nc(nc2n1CCO)-c1cnc(N)nc1)N1CCOCC1
CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(N)c(c1)C(F)(F)F
CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC
O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
COc1c(OCCCCCC(=O)NO)ccc2C3=NCCN3C(NC(=O)c3ccccc3)=Nc12 |c:33,t:17|
Cn1c(CC(=O)N2CCc3ccccc23)nc(cc1=O)N1CCOCC1
CN1CCN(Cc2cccc3N(CCc23)C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)CC1
CN1CCN(CC1)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccncc1
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1cccnc1
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccn1
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccc1
FC(F)(F)Oc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
FC(F)(F)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
COc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Brc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Fc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Clc1ccc2N(CCc2c1)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Fc1ccc2N(CCc2c1)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2ccccc12
C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r|
C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4
CC1(C)CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12
CC1CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12
CC1(C)Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
CC1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(C(=O)C(=C4)C#N)C5CCCC5
CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
CC1Cc2ccccc2N1C(=O)Cc1nc(sc1C(O)=O)N1CCOCC1
NC(=O)c1sc(nc1CC(=O)N1CCc2cc(Cl)ccc12)N1CCOCC1
OC(=O)c1sc(nc1CC(=O)N1CCc2ccccc12)N1CCOCC1
OC(=O)c1sc(nc1CC(=O)N1CCc2cc(Br)ccc12)N1CCOCC1
CC1Cc2c(cccc2Br)N1C(=O)Cc1nc(sc1C(O)=O)N1CCOCC1
CC1CN(C(=O)Cc2nc(sc2C(N)=O)N2CCOCC2)c2ccccc12
NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2F)N1CCOCC1
NC(=O)c1sc(nc1CC(=O)N1CCc2cc(Br)ccc12)N1CCOCC1
CC1Cc2ccccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
CC1Cc2c(cccc2Br)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Cl)N1CCOCC1
OC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Cl)N1CCOCC1
NC(=O)c1sc(nc1CC(=O)N1CCc2ccccc12)N1CCOCC1
NC(=O)c1sc(nc1CC(=O)Nc1ccc(F)c(Cl)c1)N1CCOCC1
CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(O)=O)N1CCOCC1
NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1
CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(O)=O)N1CCOCC1
NC(=O)c1sc(nc1CC(=O)N1CCc2cc(F)ccc12)N1CCOCC1
OC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1
OC(=O)c1sc(nc1CC(=O)N1CCc2cc(F)ccc12)N1CCOCC1
CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r|
C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r|
CNc1nc(C)c2cc(cc(OC3CCOCC3)c2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1
CNc1nc(C)c2cc(cc(O[C@@H]3CCOC3)c2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOCC2)c2nc(N)nc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(O[C@@H]2CCOC2)c2nc(N)nc(C)c2c1 |r|
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
CCC(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Cc1nc(NC(=O)CN)sc1-c1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
CC(C)[C@@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 |r|
Cc1nc(NC(=O)[C@@H](N)Cc2ccccc2)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(C)c2)c1 |r|
CC(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Cc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1sc(NC(=O)CN)nc1C
Cc1nc(NC(=O)CN)sc1-c1cnc(O)c(NS(=O)(=O)c2ccccc2)c1
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 |r|
Cc1nc(NC(=O)CN)sc1-c1cncc(NS(=O)(=O)c2ccccc2)c1
Cc1nc(NC(=O)CN)sc1-c1ccc(Cl)c(NS(=O)(=O)c2ccccc2)c1
C[C@@H](N)C(=O)Nc1nc(C)c(s1)-c1cncc(NS(=O)(=O)c2ccccc2)c1 |r|
C[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cncc(NS(=O)(=O)c2ccccc2)c1 |r|
Cc1nc(NC(=O)C(C)(C)N)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Cc1nc(NC(=O)C2(N)CC2)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Cc1nc(NC(=O)[C@@H](N)CO)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 |r|
C[C@@H](O)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 |r|
CC[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 |r|
CC[C@@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 |r|
Cc1nc(NC(=O)C(N)C2CC2)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CC(C)C[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 |r|
CCC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(C)C)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2c(F)cccc2F)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2C)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2Cl)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 |r|
Cc1ccccc1-n1c(CN2CNc3c2ncnc3N)nc2cccc(C)c2c1=O |(15.87,-33.62,;15.89,-32.08,;17.22,-31.31,;17.23,-29.77,;15.89,-28.99,;14.56,-29.76,;14.56,-31.29,;13.23,-32.06,;13.23,-33.6,;14.63,-34.52,;14.56,-35.92,;13.39,-36.67,;13.75,-38.02,;15.14,-38.08,;15.64,-36.79,;17,-36.58,;17.87,-37.65,;17.37,-38.95,;16.01,-39.16,;15.5,-40.45,;11.89,-34.37,;10.56,-33.6,;9.24,-34.38,;7.9,-33.6,;7.9,-32.06,;9.24,-31.29,;9.24,-29.75,;10.56,-32.06,;11.89,-31.28,;11.89,-29.74,)|
C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1ccc(O)c(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1CCc2ccccc12
Nc1nc2CCC(Cc2s1)n1nc(-c2cc(F)c3[nH]ccc3c2)c2c(N)ncnc12
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2c(C)nc(NC(C)=O)nc2s1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2c(C)nc(N)nc2s1
Cc1ccccc1-n1c(Cn2cc(nn2)-c2ccccc2)nc2cccc(C)c2c1=O |(24.56,-20.94,;25.89,-20.17,;25.89,-18.63,;27.22,-17.86,;28.56,-18.63,;28.56,-20.17,;27.22,-20.94,;27.22,-22.48,;25.89,-23.25,;24.56,-22.48,;23.22,-23.25,;21.82,-22.62,;20.79,-23.77,;21.56,-25.1,;23.06,-24.78,;19.25,-23.74,;18.45,-25.05,;16.91,-25.02,;16.17,-23.68,;16.96,-22.36,;18.5,-22.39,;25.89,-24.79,;27.22,-25.56,;27.22,-27.1,;28.56,-27.87,;29.89,-27.1,;29.89,-25.56,;31.23,-24.79,;28.56,-24.79,;28.56,-23.25,;29.89,-22.48,)|
COc1ccc(-c2cn(Cc3nc4cccc(C)c4c(=O)n3-c3ccccc3C)nn2)c(C)c1 |(27.62,-21.79,;28.98,-21.07,;30.29,-21.88,;31.65,-21.16,;32.95,-21.98,;32.89,-23.52,;34.2,-24.34,;35.44,-23.43,;36.69,-24.32,;38.15,-23.84,;39.47,-24.63,;39.44,-26.17,;40.76,-26.97,;40.73,-28.51,;42.05,-29.3,;43.4,-28.56,;43.43,-27.02,;44.77,-26.28,;42.11,-26.22,;42.14,-24.69,;43.49,-23.94,;40.82,-23.89,;40.8,-22.35,;42.13,-21.56,;42.11,-20.02,;40.76,-19.27,;39.44,-20.06,;39.46,-21.6,;38.13,-22.38,;36.23,-25.79,;34.69,-25.8,;31.53,-24.24,;31.48,-25.78,;30.23,-23.42,)|
COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCC3)c2c1 |r|
COc1ccc(cc1C(N)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)OC(C)(C)C)c2c1 |r|
COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)c3ccco3)c2c1 |r|
COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCCCC3)c2c1 |r|
NC(=O)c1cc(ccc1Cl)-c1ccc2ncnc(-c3cccc(c3)C(=O)NCCN3CCOCC3)c2c1
COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)S(=O)(=O)C3CC3)c2c1 |r|
COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CC3)c2c1 |r|
COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)OC(C)(C)C)c2c1 |r|
COc1ncc(cc1[N+]([O-])=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CC3)c2c1 |r|
COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)c3ccccc3)c2c1 |r|
COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)CC(C)(C)C)c2c1 |r|
COc1ccc(cn1)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCCC3)c2c1 |r|
CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O
COc1ccc(cc1OC)-c1nn(Cc2nc3cccc(F)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12 |(70.66,-16.38,;69.12,-16.36,;68.36,-15.02,;66.82,-15.01,;66.07,-13.67,;66.86,-12.35,;68.39,-12.35,;69.16,-13.69,;70.7,-13.7,;71.46,-15.04,;66.1,-11.01,;67,-9.75,;66.09,-8.51,;66.08,-6.97,;64.74,-6.21,;63.41,-6.99,;62.07,-6.22,;60.75,-6.99,;59.42,-6.24,;59.41,-4.7,;60.73,-3.92,;60.73,-2.38,;62.07,-4.68,;63.4,-3.9,;63.39,-2.36,;64.73,-4.66,;66.06,-3.89,;66.05,-2.35,;67.37,-1.57,;68.72,-2.34,;68.72,-3.88,;67.39,-4.66,;67.4,-6.2,;64.62,-9,;63.29,-8.23,;61.96,-9,;61.95,-10.55,;63.29,-11.32,;63.29,-12.86,;64.63,-10.54,)|
Cc1cccc(C)c1-n1c(Cn2nc(-c3ccc4OCOc4c3)c3c(N)ncnc23)nc2cccc(F)c2c1=O |(14.19,-48.01,;14.18,-46.47,;15.51,-45.69,;15.51,-44.15,;14.16,-43.39,;12.84,-44.17,;11.49,-43.41,;12.85,-45.7,;11.52,-46.48,;11.53,-48.02,;12.87,-48.78,;12.88,-50.32,;13.79,-51.57,;12.89,-52.82,;13.65,-54.16,;12.86,-55.48,;13.61,-56.82,;15.15,-56.83,;16.17,-58,;17.6,-57.39,;17.46,-55.84,;15.94,-55.5,;15.18,-54.17,;11.42,-52.35,;10.08,-53.13,;10.08,-54.67,;8.75,-52.36,;8.75,-50.82,;10.08,-50.04,;11.41,-50.81,;10.2,-48.8,;8.86,-48.03,;7.55,-48.81,;6.21,-48.05,;6.2,-46.51,;7.53,-45.74,;7.52,-44.2,;8.86,-46.5,;10.19,-45.72,;10.18,-44.18,)|
Cc1cccc(C)c1-n1c(Cn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc23)nc2cccc(F)c2c1=O |(68.26,-24.08,;68.25,-22.54,;69.58,-21.77,;69.57,-20.23,;68.23,-19.46,;66.9,-20.24,;65.56,-19.49,;66.92,-21.78,;65.59,-22.55,;65.6,-24.1,;66.93,-24.86,;66.95,-26.4,;67.86,-27.64,;66.96,-28.89,;67.72,-30.24,;66.93,-31.55,;67.68,-32.89,;69.22,-32.91,;70.24,-34.07,;71.67,-33.46,;71.53,-31.92,;70.01,-31.57,;69.25,-30.24,;65.49,-28.43,;64.15,-29.21,;64.15,-30.75,;62.81,-28.43,;62.82,-26.89,;64.15,-26.12,;65.48,-26.88,;64.27,-24.88,;62.93,-24.11,;61.61,-24.88,;60.28,-24.13,;60.27,-22.59,;61.59,-21.81,;61.59,-20.27,;62.93,-22.57,;64.26,-21.79,;64.25,-20.25,)|
Cc1cccc(C)c1-n1c(Cn2nc(-c3cnc4ccccc4c3)c3c(N)ncnc23)nc2cccc(F)c2c1=O |(55.99,-24.15,;55.99,-22.61,;57.32,-21.84,;57.31,-20.3,;55.96,-19.53,;54.64,-20.31,;53.3,-19.55,;54.66,-21.84,;53.33,-22.62,;53.33,-24.16,;54.67,-24.92,;54.68,-26.47,;55.6,-27.71,;54.7,-28.96,;55.45,-30.3,;54.66,-31.62,;55.42,-32.96,;56.96,-32.97,;57.71,-34.31,;59.25,-34.33,;60.04,-32.99,;59.28,-31.66,;57.74,-31.64,;56.98,-30.31,;53.23,-28.49,;51.89,-29.27,;51.88,-30.81,;50.55,-28.5,;50.55,-26.96,;51.88,-26.19,;53.22,-26.95,;52.01,-24.94,;50.67,-24.18,;49.35,-24.95,;48.02,-24.2,;48,-22.65,;49.33,-21.88,;49.32,-20.34,;50.66,-22.64,;51.99,-21.86,;51.99,-20.32,)|
COc1ccc(cn1)-c1nn(Cc2nc3cccc(F)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12 |(15.11,-17.17,;13.57,-17.16,;12.81,-15.81,;13.6,-14.48,;12.84,-13.14,;11.31,-13.14,;10.52,-14.46,;11.27,-15.8,;10.55,-11.8,;11.45,-10.54,;10.54,-9.3,;10.53,-7.76,;9.19,-7,;7.86,-7.78,;6.52,-7.01,;5.2,-7.79,;3.87,-7.03,;3.86,-5.49,;5.18,-4.71,;5.18,-3.17,;6.52,-5.47,;7.85,-4.7,;7.84,-3.16,;9.18,-5.46,;10.51,-4.68,;10.49,-3.15,;11.82,-2.37,;13.16,-3.13,;13.17,-4.67,;11.84,-5.45,;11.85,-6.99,;9.07,-9.79,;7.74,-9.02,;6.41,-9.79,;6.4,-11.34,;7.74,-12.11,;7.74,-13.65,;9.08,-11.33,)|
Cc1ccccc1-n1c(Cn2nc(-c3ccc4cc(O)ccc4c3)c3c(N)ncnc23)nc2cccc(F)c2c1=O |(25.92,-7.47,;25.91,-5.93,;27.24,-5.15,;27.23,-3.61,;25.89,-2.85,;24.56,-3.63,;24.58,-5.16,;23.25,-5.94,;23.26,-7.48,;24.6,-8.24,;24.61,-9.78,;25.52,-11.03,;24.62,-12.28,;25.38,-13.62,;24.59,-14.94,;25.34,-16.28,;26.88,-16.29,;27.64,-17.63,;29.18,-17.65,;29.94,-18.99,;29.96,-16.31,;29.2,-14.97,;27.67,-14.96,;26.91,-13.63,;23.15,-11.81,;21.81,-12.59,;21.81,-14.13,;20.47,-11.82,;20.48,-10.27,;21.81,-9.5,;23.14,-10.27,;21.93,-8.26,;20.59,-7.49,;19.27,-8.27,;17.94,-7.51,;17.93,-5.97,;19.25,-5.2,;19.25,-3.66,;20.59,-5.96,;21.92,-5.18,;21.91,-3.64,)|
Cc1ccccc1-n1c(Cn2nc(-c3ccc4[nH]ccc4c3)c3c(N)ncnc23)nc2cccc(F)c2c1=O |(54.76,-6.9,;54.76,-5.36,;56.09,-4.59,;56.08,-3.04,;54.74,-2.28,;53.41,-3.06,;53.43,-4.59,;52.1,-5.37,;52.1,-6.91,;53.44,-7.67,;53.45,-9.21,;54.37,-10.46,;53.47,-11.71,;54.22,-13.05,;53.43,-14.37,;54.19,-15.71,;55.73,-15.72,;56.75,-16.89,;58.17,-16.28,;58.03,-14.73,;56.52,-14.39,;55.75,-13.06,;52,-11.24,;50.66,-12.02,;50.66,-13.56,;49.32,-11.25,;49.32,-9.71,;50.65,-8.94,;51.99,-9.7,;50.78,-7.69,;49.44,-6.92,;48.12,-7.7,;46.79,-6.95,;46.77,-5.4,;48.1,-4.63,;48.09,-3.09,;49.43,-5.39,;50.76,-4.61,;50.76,-3.07,)|
COc1ccc(cn1)-c1nn(Cc2nc3cccc(F)c3c(=O)n2-c2c(C)cccc2C)c2ncnc(N)c12 |(31.22,-36.01,;29.68,-35.99,;28.92,-34.65,;29.7,-33.32,;28.95,-31.98,;27.42,-31.98,;26.62,-33.3,;27.38,-34.64,;26.66,-30.64,;27.56,-29.38,;26.64,-28.14,;26.63,-26.6,;25.29,-25.84,;23.97,-26.62,;22.63,-25.85,;21.31,-26.62,;19.98,-25.87,;19.97,-24.33,;21.29,-23.55,;21.29,-22.01,;22.63,-24.31,;23.96,-23.53,;23.95,-21.99,;25.29,-24.29,;26.62,-23.52,;27.95,-24.29,;27.95,-25.83,;29.28,-23.51,;29.27,-21.97,;27.93,-21.21,;26.6,-21.99,;25.26,-21.23,;25.18,-28.63,;23.84,-27.86,;22.52,-28.63,;22.51,-30.18,;23.85,-30.95,;23.85,-32.49,;25.19,-30.17,)|
Cc1cccc(C)c1-n1c(Cn2nc(-c3ccc4cc(O)ccc4c3)c3c(N)ncnc23)nc2cccc(F)c2c1=O |(39.21,-24.4,;39.21,-22.86,;40.54,-22.08,;40.53,-20.54,;39.18,-19.78,;37.86,-20.55,;36.52,-19.8,;37.88,-22.09,;36.55,-22.86,;36.55,-24.41,;37.89,-25.17,;37.9,-26.71,;38.82,-27.95,;37.92,-29.21,;38.67,-30.55,;37.88,-31.87,;38.64,-33.21,;40.17,-33.22,;40.93,-34.56,;42.47,-34.57,;43.23,-35.91,;43.26,-33.24,;42.5,-31.9,;40.96,-31.89,;40.2,-30.55,;36.45,-28.74,;35.1,-29.52,;35.1,-31.06,;33.77,-28.75,;33.77,-27.2,;35.1,-26.43,;36.44,-27.2,;35.23,-25.19,;33.89,-24.42,;32.57,-25.19,;31.24,-24.44,;31.22,-22.9,;32.55,-22.12,;32.54,-20.58,;33.88,-22.88,;35.21,-22.1,;35.2,-20.56,)|
COc1ccc(cc1OC)-c1nn(Cc2nc3cccc(F)c3c(=O)n2-c2c(C)cccc2C)c2ncnc(N)c12 |(83.53,-33.5,;81.99,-33.48,;81.23,-32.14,;79.69,-32.13,;78.94,-30.79,;79.73,-29.47,;81.26,-29.48,;82.03,-30.81,;83.57,-30.82,;84.33,-32.16,;78.97,-28.13,;79.87,-26.88,;78.96,-25.64,;78.95,-24.09,;77.61,-23.33,;76.29,-24.11,;74.95,-23.35,;73.63,-24.12,;72.3,-23.37,;72.28,-21.82,;73.61,-21.05,;73.6,-19.51,;74.94,-21.81,;76.27,-21.03,;76.26,-19.49,;77.6,-21.79,;78.93,-21.01,;80.27,-21.78,;80.27,-23.32,;81.6,-21.01,;81.59,-19.46,;80.24,-18.7,;78.92,-19.48,;77.58,-18.72,;77.5,-26.12,;76.16,-25.36,;74.83,-26.13,;74.83,-27.67,;76.16,-28.44,;76.16,-29.98,;77.5,-27.66,)|
Cc1ccccc1-n1c(Cn2nc(-c3ccc4OCOc4c3)c3c(N)ncnc23)nc2cccc(F)c2c1=O |(80.86,-5.78,;80.86,-4.24,;82.19,-3.47,;82.18,-1.93,;80.83,-1.16,;79.51,-1.94,;79.52,-3.47,;78.19,-4.25,;78.2,-5.8,;79.54,-6.56,;79.55,-8.1,;80.46,-9.34,;79.56,-10.59,;80.32,-11.94,;79.53,-13.25,;80.28,-14.6,;81.82,-14.61,;82.85,-15.77,;84.27,-15.16,;84.13,-13.62,;82.62,-13.27,;81.85,-11.94,;78.09,-10.13,;76.75,-10.91,;76.75,-12.45,;75.42,-10.13,;75.42,-8.59,;76.75,-7.82,;78.08,-8.58,;76.88,-6.58,;75.54,-5.81,;74.22,-6.58,;72.88,-5.83,;72.87,-4.28,;74.2,-3.51,;74.19,-1.97,;75.53,-4.27,;76.86,-3.49,;76.85,-1.95,)|
Cc1ccccc1-n1c(Cn2nc(-c3cnc4ccccc4c3)c3c(N)ncnc23)nc2cccc(F)c2c1=O |(39.45,-6.75,;39.44,-5.21,;40.77,-4.43,;40.77,-2.89,;39.42,-2.13,;38.1,-2.91,;38.11,-4.44,;36.78,-5.21,;36.79,-6.76,;38.13,-7.52,;38.14,-9.06,;39.05,-10.3,;38.15,-11.56,;38.91,-12.9,;38.12,-14.22,;38.87,-15.56,;40.41,-15.57,;41.17,-16.91,;42.71,-16.92,;43.49,-15.59,;42.73,-14.25,;41.2,-14.24,;40.44,-12.9,;36.68,-11.09,;35.34,-11.87,;35.34,-13.41,;34.01,-11.1,;34.01,-9.55,;35.34,-8.78,;36.67,-9.55,;35.46,-7.54,;34.12,-6.77,;32.81,-7.54,;31.47,-6.79,;31.46,-5.25,;32.78,-4.47,;32.78,-2.93,;34.12,-5.23,;35.45,-4.45,;35.44,-2.91,)|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CCC3CCOCC3)C2)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCN(CC2)C(C)=O)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3(C)COC3)C2)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC2CN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)CC2CCOC2)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3CCOCC3)C2)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3cn(C)nc3C)C2)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@H]2CCCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2OCC(=O)N(CCCN3CCOCC3)c2c1
Oc1ccc(-c2n[nH]cc2-c2ccc(Cl)c(Cl)c2)c(O)c1O
CO\C=C\C(=O)c1cc2C=Nc3c(N)cc(NC(=O)C(C)C)c(n1)c23 |c:9|
Fc1ccccc1-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2
CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1
CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)|
Cc1nn2c(N)cc(nc2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Oc1cc(nc2c(Cc3cccc(Cl)c3Cl)c(nn12)C(F)(F)F)C1CCOCC1
Cc1nn2c(NC(N)=O)cc(nc2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1c(Cc2cnn3c(Cl)cc(nc23)N2CCOCC2)cccc1C(F)(F)F
Cc1nn2c(O)cc(nc2c1Cc1cccc(c1C)C(F)(F)F)C1CCOCC1
Cc1nn2c(NO)cc(nc2c1Cc1cccc(c1C)C(F)(F)F)C1CCOCC1
Cc1nn2c(cc(nc2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
Cc1nn2ccc(nc2c1Cc1cccc(c1C)C(F)(F)F)C1CCOCC1
COc1nn2c(O)cc(nc2c1Cc1cccc(Cl)c1Cl)-c1ccncc1
Cc1c(Cc2c3[nH]c(cc(=O)n3[nH]c2=O)C2CCOCC2)cccc1C(F)(F)F
Oc1cc(nc2c(Cc3cccc(Cl)c3Cl)c(nn12)C(F)(F)F)-c1ccncc1
CCc1nn2c(O)cc(nc2c1Cc1cccc(Cl)c1Cl)C1CCOCC1
Cc1c(Cc2cnn3c(O)cc(nc23)-c2ccncc2)cccc1C(F)(F)F
Nc1nn2c(O)cc(nc2c1Cc1cccc(Cl)c1Cl)C1CCOCC1
CC1CN(CCO1)c1cc(O)n2nc(C)c(Cc3cccc(c3C)C(F)(F)F)c2n1
Cc1nn2c(O)cc(nc2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1=O
Cc1nn2c(cc(nc2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C#N
CCc1nn2c(O)cc(nc2c1Cc1cccc(Cl)c1Cl)-c1ccncc1
Cc1nn2c(O)cc(nc2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Cc1nn2c(cc(nc2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(N)=O
COc1cc(nc2c(Cc3cccc(c3C)C(F)(F)F)cnn12)N1CCOCC1
Oc1cc(nc2c(Cc3cccc(Cl)c3Cl)c(nn12)C(F)(F)F)N1CCOCC1
Cc1c(Cc2cnn3c(O)cc(nc23)N2CCOCC2)cccc1C(F)(F)F
CNc1cc(nc2c(Cc3cccc(c3C)C(F)(F)F)c(C)nn12)N1CCOCC1
Cc1nn2c(NCCO)cc(nc2c1Cc1cccc(c1C)C(F)(F)F)C1CCOCC1
CC(=O)Nc1cc(nc2c(Cc3cccc(c3C)C(F)(F)F)c(C)nn12)N1CCOCC1
Cc1nn2c(O)cc(nc2c1Cc1cccc2ccccc12)N1CCOCC1
Oc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
OCc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
CC(=O)Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
OCc1ccc(NC(=O)Nc2cccc(c2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1cccnc1
Oc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
OCc1cccc(c1)-c1nc(N2CCOCC2)c2cccnc2n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2cccnc2n1
Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
C1CN(CCO1)c1nc(nc2cccnc12)-c1ccc2cn[nH]c2c1
C1CN(CCO1)c1nc(nc2cccnc12)-c1cccnc1
Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
COc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
COc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Oc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
C[C@H]1CN(C[C@@H](C)O1)c1nc(nc2cccnc12)-c1cccc(O)c1 |r|
Oc1cccc(c1)-c1nc(N2CCSCC2)c2ncccc2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccnc2n1
Nc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
CC(=O)N(C(C)=O)c1ncc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
C1CN(CCO1)c1nc(nc2cccnc12)-c1cccc2[nH]ncc12
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncccc2n1
Oc1ccccc1-c1nc(N2CCOCC2)c2ncccc2n1
Oc1cccc(c1)-c1nc(N2CCC(F)(F)CC2)c2ncccc2n1
Oc1cccc(c1)-c1nc(N2CCS(=O)(=O)CC2)c2ncccc2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncccc2n1
CN1CCN(CC1)c1nc(nc2cccnc12)-c1cccc(O)c1
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)-c1ccccc1F |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C1(CC1)C(F)(F)F |r|
CC(C)c1nc(cs1)-c1sc(NC(C)=O)nc1C
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C1CCC1 |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)-c1cccnc1 |r|
Cc1nc(NC(=O)N2CC[C@H](O)[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
Cc1nc(NC(=O)N2C[C@H](O)C[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
CN(C)[C@@H]1C[C@H](N(C1)C(=O)Nc1nc(C)c(s1)-c1csc(n1)C(C)(C)C)C(N)=O |r|
CN(C)[C@@H]1C[C@H](N(C1)C(=O)Nc1nc(C)c(s1)-c1csc(n1)C1(C)CC1)C(N)=O |r|
CCC(CC)c1nc(cs1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C |r|
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc(C)c(s1)-c1csc(n1)C1(CC1)C(F)(F)F |r|
Cc1nc(NC(=O)N2C[C@@H](O)C[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
[H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc(C)c(s1)-c1csc(n1)C(C)(C)C)C(N)=O |r|
Cc1nc(NC(=O)N2C[C@H](F)C[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(CC2CC2)n1 |r|
CN(C)c1nc(cs1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C |r|
Cc1nc(NC(=O)N2CC[C@@H](O)[C@H]2C(N)=O)sc1-c1csc(n1)C1(CC1)C(F)(F)F |r|
CC(=O)N1CCN(CC1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cnc3ccccc3c2)C(N)=O)cc1C(F)(F)F
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
CN(C)C(=O)c1cc(CN2CCOc3c(F)cccc23)c2oc(cc(=O)c2c1)N1CCOCC1
CN(C)C(=O)c1cc(CN2CCOc3ccc(F)cc23)c2oc(cc(=O)c2c1)N1CCOCC1
C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cccc34)c2o1)C(=O)N(C)C |r|
C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cc(F)cc34)c2o1)C(=O)N(C)C |r|
CN(C)C(=O)c1cc(CN2CCOc3c(F)cc(F)cc23)c2oc(cc(=O)c2c1)N1CCOCC1
C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4ccc(F)cc34)c2o1)C(=O)N(C)C |r|
C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN(C)c3cc(F)cc(F)c3)c2o1)C(=O)N(C)C |r|
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NCCN3CCOCC3)c2c1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(C)=O)c2c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
C1CC1Nc1nc(Nc2ccc3ncccc3c2)nc2[nH]cnc12
Cc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
C[C@@H]1COCCN1C2=CC(=O)N3CC[C@H](N(C3=N2)CC(=O)C(C)C)C(F)(F)F
[H][C@@]12C[C@@]1(CCOC2)c1cc(CS(C)(=O)=O)nc(n1)-c1ccc(NC(=O)CNC)cc1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nccc(n1)C12CC1COCC2
C[C@H]1COCCN1c1cc(nc(n1)-c1ccc(NC(=S)NCCO)cc1)C(C)(C)S(C)(=O)=O |r|
Oc1cccc(c1)-c1nccc(n1)C1=CCOCC1 |t:15|
Oc1cccc(c1)-c1nccc(n1)C1CCOCC1
CCNC(=O)Nc1ccc(cc1)-c1nccc(n1)N1CCOCC1
[H][C@@]12C[C@@]1(CCOC2)c1ccnc(n1)-c1ccc(NC(=O)NCC)cc1 |r|
[H][C@]12C[C@]1(CCOC2)c1ccnc(n1)-c1ccc(NC(=O)NCC)cc1 |r|
[H][C@@]12C[C@@]1(CCOC2)c1cc(CS(C)(=O)=O)nc(n1)-c1cccc(O)c1 |r|
C[C@H]1COCCN1c1cc(nc(n1)-c1cccc(O)c1)C(C)(C)S(C)(=O)=O |r|
[H][C@]12C[C@]1(CCOC2)c1cc(nc(n1)-c1cccc(O)c1)C(C)(C)S(C)(=O)=O |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOC[C@@H]1C |r|
CCNC(=O)Nc1ccc(cc1)-c1nc(cc(n1)C(C)(C)S(C)(=O)=O)N1CCOC[C@@H]1C |r|
[H][C@@]12C[C@@]1(CCOC2)c1cc(nc(n1)-c1ccc(NC(=O)NCC)cc1)C(C)(C)S(C)(=O)=O |r|
[H][C@]12C[C@]1(CCOC2)c1cc(CS(C)(=O)=O)nc(n1)-c1ccc(NC(=O)CNC)cc1 |r|
[H][C@@]12C[C@@]1(CCOC2)c1cc(nc(n1)-c1ccc(NC(=S)NCCO)cc1)C(C)(C)S(C)(=O)=O |r|
[H][C@@]12C[C@@]1(CCOC2)c1ccnc(n1)-c1cccc(O)c1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nccc(n1)C1=CCOCC1 |t:20|
C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1cccc(O)c1 |r|
[H][C@@]12C[C@@]1(CCOC2)c1cc(CS(C)(=O)=O)nc(n1)-c1ccc(NC(=O)NCC)cc1 |r|
CNCC(=O)Nc1ccc(cc1)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOC[C@@H]1C |r|
CNCC(=O)Nc1ccc(cc1)-c1nc(cc(n1)C(C)(C)S(C)(=O)=O)N1CCOC[C@@H]1C |r|
[H][C@]12C[C@]1(CCOC2)c1cc(nc(n1)-c1ccc(NC(=S)NCCO)cc1)C(C)(C)S(C)(=O)=O |r|
C[C@H]1COCCN1c1ccnc(n1)-c1cccc(O)c1 |r|
[H][C@@]12C[C@@]1(CCOC2)c1cc(nc(n1)-c1cccc(O)c1)C(C)(C)S(C)(=O)=O |r|
Oc1cccc(c1)-c1nccc(n1)N1CCOCC1
[H][C@]12C[C@]1(CCOC2)c1cc(CS(C)(=O)=O)nc(n1)-c1cccc(O)c1 |r|
[H][C@]12C[C@]1(CCOC2)c1cc(CS(C)(=O)=O)nc(n1)-c1ccc(NC(=O)NCC)cc1 |r|
[H][C@@]12C[C@@]1(CCOC2)c1cc(nc(n1)-c1ccc(NC(=O)CNC)cc1)C(C)(C)S(C)(=O)=O |r|
Oc1cccc(c1)-c1nccc(n1)C12CC1COCC2
[H][C@]12C[C@]1(CCOC2)c1cc(nc(n1)-c1ccc(NC(=O)NCC)cc1)C(C)(C)S(C)(=O)=O |r|
[H][C@]12C[C@]1(CCOC2)c1ccnc(n1)-c1cccc(O)c1 |r|
CS(=O)(=O)Cc1cc(nc(n1)-c1cccc(O)c1)C1=CCOCC1 |t:20|
CCNC(=O)Nc1ccc(cc1)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOCC1
[H][C@]12C[C@]1(CCOC2)c1cc(nc(n1)-c1ccc(NC(=O)CNC)cc1)C(C)(C)S(C)(=O)=O |r|
CCNC(=O)Nc1ccc(cc1)-c1nccc(n1)N1CCOC[C@@H]1C |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cn3)N1CCOC2 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CC2CCOCC2)c1
COc1ncc(cc1NS(=O)(=O)CC#N)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCC2CCCN(C)C2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(CC(=O)CN2CCOCC2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(CCCN2C[C@H](C)O[C@H](C)C2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCOCC2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(C)CCO2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCN(C)CC2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCN2CCC(CC2)C(C)(C)O)c2COCc2c1F
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1F
COc1ncc(cc1NS(C)(=O)=O)-c1cc2[C@@H](C)OCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H](C)N2CCC(CC2)C(C)(C)O)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(O[C@@H](C)CN2CCC(CC2)C(C)(C)O)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C(C)C)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C[C@H]2C[C@H](C)O[C@H](C)C2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCC(CC2)C(C)(C)O)c1
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2C[C@H](C)O[C@H](C)C2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCN(CC2)C(C)C)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCN2CCC(CC2)C(C)(C)O)c2COCc2c1Cl
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@H]2CN(C)CCO2)c2COCc2n1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H](C)N2CCC(CC2)C(C)(C)O)c1 |r|
COCCN1CCO[C@@H](COc2cc(cc3COCc23)-c2cnc(OC)c(NS(C)(=O)=O)c2)C1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H]2CN(CCO2)C2COC2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(c1)C(=O)NC[C@@H]1C[C@H](C)O[C@H](C)C1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C2CCCN(C)C2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NCCN2CCC(CC2)C(C)(C)O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)n1
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(O[C@H](C)CN2CCC(CC2)C(C)(C)O)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2CCC2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@@H]2CN(C)CCO2)c1 |r|
Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)CC3)cc2n1
Cc1ccc(cc1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
Cc1ccc(C)c(c1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
O=c1oc2ccccc2c2nn(cc12)S(=O)(=O)c1ccccc1
CC(C)(C)c1ccc(cc1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
Fc1ccc(cc1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
Clc1ccc(cc1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
FC(F)(F)c1ccc(cc1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
Brc1ccc(cc1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
Cc1cc(C)c(c(C)c1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
COc1ccc(cc1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
[O-][N+](=O)c1ccccc1S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
[O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cc2c(n1)c1ccccc1oc2=O
CCn1ncc(c1C)-c1nc2c(Oc3csc(c3)C(=O)N3CCOCC3)ncnc2n1C
CCC(=O)N1CC[C@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r|
CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCOCC1 |r|
CCC(=O)N1CC(C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
CCn1ncc(c1C)-c1nc2c(NC3CN(C3)C(=O)C3CCOCC3)ncnc2n1C
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCCN1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(NC3CN(CC(C)C)C(=O)C3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(N[C@H]3CC[C@H](C3)C(=O)N3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(N[C@@H](C)C(=O)N3CCOCC3)ncnc2n1C |r|
CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N(C)C |r|
CCC(=O)N1CCC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCn1ncc(c1C)-c1nc2c(S[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(ncnc2n1C)N1CCC(CC1)n1c2cccnc2[nH]c1=O
CCn1ncc(c1C)-c1nc2c(NC3CCN(CC(C)C)C3=O)ncnc2n1C
COc1ncc(cc1C(=O)Oc1ccc(C)cc1C)-c1cc(-c2ncc(CN3CCN(CC3)C(C)C)o2)c2cn[nH]c2c1
COc1ncc(cc1C(=O)Oc1ccc(cc1)[N+]([O-])=O)-c1cc(-c2ncc(CN3CCN(CC3)C(C)C)o2)c2cn[nH]c2c1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C |r|
CC(Nc1ncnc2[nH]cnc12)c1cc2ccccn2c(=O)c1-c1ccccc1
CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c(C)c(C(N)=O)c1-c1cccc(F)c1
CC(c1cc2ccccn2c1-c1ccc(=O)n(CCN2CCOCC2)n1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
COc1ccc2nc([C@H](C)Nc3ncnc4[nH]cnc34)n(-c3cc(F)cc(F)c3)c2n1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2cc1-c1ccccc1 |r|
O=c1n(-c2ccccc2)c(nn2cccc12)[C@@H]1CCCN1c1ncnc2[nH]cc(C#N)c12 |r|
CC(c1oc(=O)c2ccccc2c1C1=CCN(C)CC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12 |t:15|
CC[C@H](Nc1ncnc2[nH]cnc12)c1oc2ccccc2c(=O)c1-c1cccc(F)c1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn2ncc(Cl)c2nc1-c1cccc(F)c1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(-c3ccc(O)c(CN4CCC(CC4)N(C)C)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
[O-][n+]1cccc(c1)-c1nc2c(Cl)cccc2cc1[C@@H](Nc1ncnc2cccnc12)C(F)(F)F
C[C@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
Cc1nc(NC(=O)CNC(=O)c2ccccc2)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2ccn(C)c2cc1N1CCNCC1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
CC(Nc1nc(N)nc(N)c1C#N)c1c([nH]c2c(Cl)cccc2c1=O)-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cccc(NS(C)(=O)=O)c3)c12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1 |r|
Clc1ccn2nc([C@@H]3CCN3c3ncnc4[nH]cc(C#N)c34)n(-c3ccccc3)c(=O)c12 |r|
F[C@H]1C[C@H](N(C1)c1ncnc2[nH]cnc12)c1nn2ccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Nc1ncc(C#N)c(n1)N1CCC[C@H]1c1nn2ccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC(=O)c1c[nH]c2ncnc(N3CC[C@H]3c3nn4ccc(Cl)c4c(=O)n3-c3ccccc3)c12 |r|
Nc1ncc(C#N)c(n1)N1CC[C@H]1c1nn2ccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC(=O)c1cnc(N)nc1N1CC[C@H]1c1nn2ccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC(=O)c1c[nH]c2ncnc(N3CCC[C@H]3c3nn4ccc(F)c4c(=O)n3-c3ccccc3)c12 |r|
CC(=O)c1c[nH]c2ncnc(N3CCC[C@H]3c3nn4ccc(Cl)c4c(=O)n3-c3cccc(F)c3)c12 |r|
Fc1cccc(c1)-n1c(nn2ccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc2[nH]cnc12 |r|
Brc1ccc(cc1)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
Fc1ccc(cc1)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
Clc1ccc(cc1)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N1CCN(Cn2cc3c(n2)c2ccccc2oc3=O)CC1
COCC(=O)N1CCC(CC1)Nc1cc(ccn1)-c1ncnc2CCN(Cc12)c1cnc(OC)c(C)c1
COc1ncc(cc1C)N1CCc2ncnc(Nc3cccc(c3)C(=O)N3CCOCC3)c2C1
CCN1CCC(CC1)Nc1cc(ccn1)-c1ncnc2CCN(Cc12)c1cnc(OC)c(C)c1
COc1ncc(cc1C)N1CCc2ncnc(-c3ccnc(NC4CCNCC4)c3)c2C1
COc1ncc(cc1C)N1CCc2ncnc(-c3ccnc(NC4CCN(C)CC4)c3)c2C1
COc1ncc(cc1C)N1CCc2ncnc(-c3ccnc(NC4CCN(CC4)S(C)(=O)=O)c3)c2C1
COCCNc1cc(ccn1)-c1ncnc2CCN(Cc12)c1cnc(OC)c(C)c1
COc1ncc(cc1C)N1CCc2ncnc(-c3ccc(NC4CCOCC4)nc3)c2C1
COc1ncc(cc1C)N1CCc2ncnc(c2C1)-c1ccc(NCC2CCOCC2)nc1
COc1ncc(cc1C)N1CCc2ncnc(Nc3cccc(c3)C(=O)NC3CCOCC3)c2C1
CCOC(=O)c1cccc(Nc2ncnc3CCN(Cc23)c2cnc(OC)c(C)c2)c1
COc1ncc(cc1C)N1CCc2ncnc(-c3cnn(CC4CCOCC4)c3)c2C1
COc1ncc(cc1C)N1CCc2ncnc(c2C1)-c1ccnc(NCC2CCOCC2)c1
COc1ncc(cc1C)N1CCc2ncnc(-c3ccnc(NC4CCOCC4)c3)c2C1
COc1ncc(cc1C)N1CCc2ncnc(-c3ccnc(OC4CCN(C)CC4)c3)c2C1
COc1ncc(cc1C)N1CCc2ncnc(-c3ccnc(NCc4ccccc4)c3)c2C1
COc1ncc(cc1C)N1CCc2ncnc(-c3cnn(c3)C3CCOCC3)c2C1
COc1ncc(cc1C)N1CCc2ncnc(Nc3cccc(C)c3)c2C1
COc1ncc(cc1C)N1CCc2ncnc(-c3ccnc(N[C@H]4CC[C@H](O)CC4)c3)c2C1 |r,wU:23.23,wD:26.27,(26.67,-18.3,;26.68,-19.84,;28.01,-20.6,;29.35,-19.83,;30.68,-20.6,;30.68,-22.14,;29.36,-22.91,;28.02,-22.15,;26.7,-22.93,;32.02,-22.9,;32.02,-24.44,;33.35,-25.2,;34.67,-24.44,;36,-25.2,;37.33,-24.44,;37.33,-22.89,;36,-22.13,;35.99,-20.59,;34.65,-19.83,;34.64,-18.3,;35.97,-17.51,;37.31,-18.27,;38.64,-17.5,;39.98,-18.26,;41.3,-17.48,;42.64,-18.25,;42.64,-19.79,;43.98,-20.56,;41.31,-20.56,;39.98,-19.8,;37.32,-19.82,;34.67,-22.9,;33.35,-22.12,)|
Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1
CCn1c2nc(N)nc(C)c2cc(-c2cc[nH]n2)c1=O
Nc1cc(c(cn1)-c1nc2CN(CCc2c(n1)N1CCOCC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(F)(F)F
C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc([nH]c2n1)-c1cccc2[nH]ccc12 |r|
C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccccc1
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2cn[nH]c2c1
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ccncc2c1
c1cc2c(cccc2[nH]1)-c1ccc2ccncc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)C1=CCOCC1 |t:19|
C(N1CCOCC1)c1nnc(o1)-c1cccc2[nH]ncc12
COc1ncc(cc1NS(C)(=O)=O)-c1cc(-c2ncc(CN3C[C@H](C)O[C@H](C)C3)o2)c2cn[nH]c2c1 |r|
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccncc1
Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4
CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2
CS(=O)(=O)Nc1cc(cnc1Cl)-c1cnc(N)nc1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2cn[nH]c2c1
c1cc2c(cccc2[nH]1)-c1ccncc1
COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3
c1cc2c(cccc2[nH]1)-c1ccc2cn[nH]c2c1
CC1(Cc2ccccc2)C(=O)Nc2ccc(cc12)-c1ccc2nccnc2c1
Cc1ncc(cn1)-c1ccn2ncc(-c3cccc(CN4CCOCC4)c3)c2n1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2nsnc2c1
Cc1ncc(cn1)-c1ccn2ncc(-c3ccc4NC(=O)[C@@](C)(Cc5ccccc5)c4c3)c2n1 |r|
Cc1ncc(cn1)-c1ccn2ncc(-c3cccc(c3)S(=O)(=O)N3CCOCC3)c2n1
Cc1ncc(cn1)-c1ccn2ncc(-c3cccc(c3)C(=O)N3CCOCC3)c2n1
Cc1ncc(cn1)-c1ccn2ncc(-c3ccnc(c3)C3CCOCC3)c2n1
Cc1ncc(cn1)-c1ccn2ncc(-c3ccnc(c3)N3CCOCC3)c2n1
Cc1ncc(cn1)-c1ccn2nccc2n1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2nonc2c1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2OCOc2c1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnn2c1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ccncc2c1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2CCOCc2c1
CC1(Cc2ccccc2)C(=O)Nc2ccc(cc12)-c1nccn2nccc12
CC1(Cc2ccccc2)C(=O)Nc2ccc(cc12)-c1ccc2nccnc2n1
CC1(Cc2ccccc2)C(=O)Nc2ccc(cc12)-c1ccc2ncnc(O)c2c1
O=C(C1CC1)N1CCC[C@]11C(=O)Nc2ccc(cc12)-c1ccc2nccnc2c1 |r|
CC1(Cc2ccccc2)C(=O)Nc2ccc(cc12)-c1ccn2nccc2c1
Cc1ncc(cn1)-c1ccn2ncc(-c3ccc4NC(=O)C(C)(CC5CC5)c4c3)c2n1
Cc1ncc(cn1)-c1ccn2ncc(-c3cnn(Cc4ccccc4)c3)c2n1
COc1ncc(cc1NS(C)(=O)=O)-c1ccn2nccc2c1
COc1ncc(cc1NS(C)(=O)=O)-c1ccn2ncnc2c1
C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(cc12)-c1cnn2cccnc12 |r|
CC1(Cc2ccccc2)C(=O)Nc2ccc(cc12)-c1ccnc2cnccc12
Cc1ncc(cn1)-c1ccn2ncc(-c3ccc4CCC(N5CCOCC5)c4c3)c2n1
O=C(C1CC1)N1CCC[C@]11C(=O)Nc2ncc(cc12)-c1ccc2nccnc2c1 |r|
Cc1ncc(cn1)-c1ccn2ncc(-c3cccc(c3)C3(CCOCC3)C#N)c2n1
COc1ncc(cc1NS(C)(=O)=O)-c1ccn2nccc2n1
COc1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2cnc3ccccc3c2)cc1
COc1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2cccnc2)cc1
CC(C)c1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2cnc3ccccc3c2)cc1
COc1ccc(Cn2c3c(cnc4ccc(cc34)-c3cnc(OC)c(NS(C)(=O)=O)c3)n(C)c2=O)cc1
COc1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2cnc(OC)c(NS(=O)(=O)C3CC3)c2)cc1
COc1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2cnc(OC)c(NS(C)(=O)=O)c2)cc1
COc1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2cnc(OC)c(C)c2)cc1
COc1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2ccccc2)cc1
COc1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2cnc(OC)c(NS(=O)(=O)C(C)C)c2)cc1
COc1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2ccc(OC)nc2)cc1
Cc1ccc(Cn2c3cnc4ccc(cc4c3n(C)c2=O)-c2cnc3ccccc3c2)cc1
Cc1nc(cs1)C(=O)Nc1cc(cc2[nH]ncc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
[H][C@@]12CCc3nnc(C)n3[C@]1([H])CCN(Cc1cc3nc(nc(N4CCOCC4)c3s1)-c1cccc3[nH]ccc13)C2 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)C3CCN(C)CC3)c2c1 |r|
CCOC(=O)CN1CCC[C@@H](C1)Nc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C(F)(F)F |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)C3CCOCC3)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)C3CCNCC3)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)C(C)N)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)CCl)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)CCBr)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)c3cccnc3)c2c1 |r|
CCOC(=O)CN1CCC[C@@H](C1)Nc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r|
COc1ncc(cc1[N+]([O-])=O)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)C(F)(F)F)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(CCO)C3)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)C(F)(F)F)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)c3coc(c3)[N+]([O-])=O)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)CN(C)C)c2c1 |r|
COc1ccc(cn1)-c1ccc2ncnc(O[C@H]3CCCN(C3)C(=O)C3CC3)c2c1 |r|
Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc(NCCCC(=O)NO)c2ccccc2n1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CNC(=O)c3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CNC(=O)c3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CNc3ncc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc(CCCCCC(=O)NO)c2ccccc2n1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(-c3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cc3)C(=O)N(C)O)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(NCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(C)c1Cl)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc(CCCCC(=O)NO)c2ccccc2n1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(C(=O)NO)c(C)c3)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)ncc1C)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CNc3ncc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 |r|
CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c(C)c(-c2cnn(C)c2)c1-c1cccc(F)c1
COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
COc1c(cc(Cl)c(C)c1-c1ccc(cn1)C(=O)N(C)C)[C@H](C)Nc1ncnc(N)c1C#N |r|
COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
CC(Nc1ncnc2[nH]cnc12)c1ccc2cccnc2c1-c1cccc(F)c1
COc1c(cc(Cl)c(C)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1-c1cccc(F)c1 |r|
COc1c(cc(Cl)c(C)c1-c1ccc(cc1)S(C)(=O)=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
COc1c(cc(Cl)c(C)c1-c1cnn(C)c1)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
CS(=O)(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
CS(=O)(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
CC(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
COCC(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
CC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
CS(=O)(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
CN([C@H]1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)C(C)=O |r|
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1)C(C)=O
COCC(=O)N(C)C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)C(C)=O
COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)S(C)(=O)=O
COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
CNC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
CC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
CC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
COCC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
CS(=O)(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
CS(=O)(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CC(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
COCC(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
COCC(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
CNC(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)C(C)=O
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1)S(C)(=O)=O
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1)C(C)=O
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1)C(C)=O
COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1)C(C)=O
COCC(=O)N(C)C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
CNC(=O)N(C)C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1)S(C)(=O)=O
CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O
CC(=O)N[C@@H]1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1 |r|
CC(=O)N[C@H]1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1 |r|
CC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
COCC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
COCC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
CNC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
COCC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
CNC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1)S(C)(=O)=O
COCC(=O)N(C)C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
CNC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
CNC(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1)C(C)=O
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)S(C)(=O)=O
CNC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
COCC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CNC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
CNC(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
CC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
CS(=O)(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
CNC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
CS(=O)(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)C(C)=O
CN([C@@H]1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)C(C)=O |r|
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1)S(C)(=O)=O
CC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
COCC(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1)S(C)(=O)=O
CN(C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1)S(C)(=O)=O
CN(C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1)C(C)=O
CS(=O)(=O)NC1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)C1
CNC(=O)N(C)C1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)C1
CC(=O)NC1CCCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)C1
C=CC(=O)Nc1cccc(c1)-n1c2c(ccc1=O)oc1ccc(cc21)-c1cccnc1
C=CC(=O)Nc1ccc(cc1)-n1c2c(ccc1=O)oc1ccc(cc21)-c1cccnc1
Fc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3c2c1
C=CC(=O)Nc1ccc(cc1)-n1c2c(ccc1=O)oc1ncc(cc21)-c1cccnc1
Fc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4cccc(NC(=O)C=C)c4)c3c2c1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)C(=O)N1CCCC1
CC(C)C(=O)N1C[C@H](O)C[C@H]1c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(CO)c1
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccnc1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1ccncc1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccnc1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1ccc(CO)cc1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1cccc(c1)S(N)(=O)=O
CN(C)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CNS(=O)(=O)c1cccc(c1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CC(C)Cn1nccc1-c1cc(-c2cccnc2)n2ncnc(N)c12
Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(CN2CCCC2=O)c1
Nc1ncnn2c(cc(-c3ccnn3C3CCS(=O)(=O)CC3)c12)-c1cccnc1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1ccccc1
CN1CCC(CC1)n1nccc1-c1cc(-c2cccnc2)n2ncnc(N)c12
CC(C)[C@H]1COC(=O)N1Cc1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12 |r|
Cn1cc(cn1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CN1CCN(Cc2cccc(c2)-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)CC1
Nc1ncnn2ccc(-c3ccnn3C3CCCCC3)c12
Nc1ncnn2c(cc(-c3ccnn3C3CCCC3)c12)-c1cccnc1
Nc1ncnn2c(cc(-c3ccnn3C3CCCCCC3)c12)-c1cccnc1
NCc1ccc(cc1)-c1cc(-c2ccnn2C2CCCCC2)c2c(N)ncnn12
CN1CCN(CC1)C(=O)c1cccc(c1)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1
COc1ncc(cc1C(F)(F)F)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1
COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
c1ccc(cc1)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1
COc1ccc(cc1OC)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1
COc1ccc(cn1)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1
COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r|
COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
COc1ncc(cc1C(F)(F)F)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1
CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1
c1ccc2ncc(cc2c1)-c1ccc2ncncc2c1
CC[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@H]1CCCCN1)N1CCOCC1 |r|
CC(C)[C@H](NC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1)C(N)=O |r|
OC(=O)[C@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
NC(=O)CNC(=O)[C@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCCN1)N1CCOCC1 |r|
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC(=O)[C@H]2CCCN2)CC1)N1CCOCC1 |r|
OC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
NC(=O)CNC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
C[C@@H](NC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1)C(N)=O |r|
NC(=O)[C@H](CO)NC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)C[C@@H]1CCCN1)N1CCOCC1 |r|
N[C@H]1CC[C@H](CC1)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r,wU:4.7,1.0,(60.69,-22.06,;59.35,-22.83,;59.34,-24.37,;58.01,-25.13,;56.68,-24.35,;56.68,-22.81,;58.02,-22.05,;55.35,-25.12,;55.34,-26.66,;54.02,-24.34,;52.68,-25.11,;51.35,-24.34,;51.36,-22.8,;52.68,-22.02,;54.02,-22.8,;50.02,-22.03,;50.02,-20.48,;48.68,-19.72,;47.35,-20.49,;47.35,-22.03,;48.68,-22.8,;46.02,-22.8,;44.61,-22.18,;43.58,-23.32,;44.34,-24.65,;43.87,-26.11,;44.89,-27.26,;46.4,-26.93,;46.87,-25.47,;45.85,-24.34,;44.29,-20.67,;45.43,-19.64,;42.82,-20.2,;48.68,-18.18,;50,-17.41,;50,-15.88,;48.67,-15.1,;47.34,-15.87,;47.33,-17.42,)|
C[C@H](NC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1)C(N)=O |r|
NC(=O)CNC(=O)[C@@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
OC(=O)[C@@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)c2cccc(C)n2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(c1)-c1nnc(C)o1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(C)=O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(c1)-c1ccccn1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)c2csc(C)n2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1ccc2COCc2c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc(NC(=O)c2csc(C)n2)c2cn[nH]c2c1
COc1ncc(cc1C#N)-c1ccc2ncnc(NCCN3CCOCC3)c2c1
CNC(=O)c1cc2c(nc(nn2c1)-c1cnc(N)cc1C(F)(F)F)N1CCOCC1
CNCc1ccc2OCCN(c3cnc(OC)c(c3)S(=O)(=O)NC)c2c1
CNS(=O)(=O)c1cc(cnc1OC)N1CCOc2ccc(CN(C)C)cc12
CNC(=O)c1ccc2OCCN(c3cnc(OC)c(c3)S(=O)(=O)NC)c2c1
CNS(=O)(=O)c1cc(cnc1OC)N1CCOc2ccc(cc12)C(=O)N(C)C
CNCc1ccc2OCCN(c3cnc(OC)c(NS(C)(=O)=O)c3)c2c1
CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C
CNC(=O)c1ccc2OCCN(c3cnc(OC)c(NS(C)(=O)=O)c3)c2c1
COc1ncc(cc1NS(C)(=O)=O)N1CCOc2ccc(cc12)C(=O)N(C)C
COc1ncc2cc1S(=O)(=O)NCCN(C)Cc1ccc3OCCN2c3c1
COc1ncc2cc1S(=O)(=O)NCCN(C)C(=O)c1ccc3OCCN2c3c1
CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1
COc1ncc2cc1NS(=O)(=O)CCN(C)C(=O)c1ccc3OCCN2c3c1
COc1ncc2cc1S(=O)(=O)NCCCNCc1ccc3OCCN2c3c1
COc1ncc2cc1S(=O)(=O)NCCCN(C)Cc1ccc3OCCN2c3c1
COc1ncc2cc1S(=O)(=O)NCCCNC(=O)c1ccc3OCCN2c3c1
COc1ncc2cc1S(=O)(=O)NCCCN(C)C(=O)c1ccc3OCCN2c3c1
COc1ncc2cc1NS(=O)(=O)CCCNCc1ccc3OCCN2c3c1
COc1ncc2cc1NS(=O)(=O)CCCNC(=O)c1ccc3OCCN2c3c1
COc1ncc2cc1S(=O)(=O)NCCCCNCc1ccc3OCCN2c3c1
COc1ncc2cc1S(=O)(=O)NCCCCN(C)Cc1ccc3OCCN2c3c1
COc1ncc2cc1S(=O)(=O)NCCCCNC(=O)c1ccc3OCCN2c3c1
COc1ncc2cc1S(=O)(=O)NCCCCN(C)C(=O)c1ccc3OCCN2c3c1
COc1ncc2cc1NS(=O)(=O)CCCCN(C)Cc1ccc3OCCN2c3c1
COc1ncc2cc1NS(=O)(=O)CCCCN(C)C(=O)c1ccc3OCCN2c3c1
CNC(=O)[C@H](C)Cn1cnc2ccc(cc2c1=O)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncnc(Nc3cnn(CCO)c3)c2c1
Cc1ncc(cn1)-c1ccn2ncc(-c3ccc4NC(=O)[C@@](C)(CC5CC5)c4c3)c2n1 |r|
Cn1cnc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(Cc3ccccc3)c2c1 |r|
Cn1cnc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(CC3CC3)c2c1 |r|
CCn1ncc(c1C)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)[C@@](C)(CC3CC3)c2c1 |r|
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)[C@@](C)(CC3CC3)c2c1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(CC3CC3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(Cc3ccccc3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2C(=O)N[C@@](C)(Cc3ccccc3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@](C)(c2c1)c1ccccc1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(CC3COC3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(CC3CCO3)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(NC3CCC3)c2c1)-c1cnc(C)nc1 |r|
[H][C@@]1(CCOC1)N[C@]1(C)C(=O)Nc2ccc(cc12)-c1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(NCC(C)(C)F)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(NCC(C)(F)F)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(N3CC(C)(C3)OC)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)[C@@](C)(NC3CCC3)c2c1)-c1cnc(C)nc1 |r|
[H][C@@]1(CCOC1)N[C@]1(C)C(=O)Nc2ncc(cc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1 |r|
[H][C@@]1(CCOC1)N[C@]1(C)C(=O)Nc2ncc(cc12)-c1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)[C@@](C)(NCC(C)(C)F)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)[C@@](C)(N3CC(C)(C3)OC)c2c1)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@]3(CCCN3C(C)C)c2c1)-c1cnc(C)nc1 |r|
Cc1ncc(cn1)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)[C@]3(CCCN3C(=O)C3CC3)c2c1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@]3(CCCN3C(=O)C3CC3)c2c1)-c1cnc(C)nc1 |r|
CN1C(=O)[C@]2(CCCN2C(=O)C2CC2)c2cc(ccc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(ncnc12)-c1ccc2N(C)C(=O)[C@]3(CCCN3C(=O)C3CC3)c2c1)-c1cnc(C)nc1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc2c(ncnc2s1)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1nc2c(ncnc2s1)N1CCOCC1
CNC(=O)c1ccc(cc1)-c1cnc2cnc(cn12)C(=O)N(C)c1ccc(Cl)cc1
CNC(=O)c1cncc(c1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Oc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(NCCN2CCOCC2)nc(n1)N1CCOCC1
CC[C@@H](c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc12 |r|
COc1ccc(cc1F)-c1nn(C(C)c2nc3cccc(F)c3c(=O)n2-c2ccccc2)c2ncnc(N)c12
COc1ccc(cc1F)-c1nn(C(C)c2nc3cccc(F)c3c(=O)n2-c2ccc(cc2)-c2ccccc2)c2ncnc(N)c12
COc1ccc(cc1F)-c1nn(C(C)c2nc3cccc(F)c3c(=O)n2Cc2ccccc2)c2ncnc(N)c12
COc1ccc(cc1F)-c1nn(C(C)c2nc3cccc(F)c3c(=O)n2-c2cnn(C)c2)c2ncnc(N)c12
COc1ccc(cc1F)-c1nn(C(C)c2nc3cccc(F)c3c(=O)n2C2CCCCC2)c2ncnc(N)c12
COc1ccc(cc1F)-c1nn(C(C)c2nc3cccc(F)c3c(=O)n2C2CCCC2)c2ncnc(N)c12
COc1ccc(cc1F)-c1nn(C(C2CCC2)c2nc3cccc(F)c3c(=O)n2C)c2ncnc(N)c12
COc1ccc(cc1F)-c1nn(C(C)c2nc3cccc(F)c3c(=O)n2C2CC2)c2ncnc(N)c12
COc1ccc(cc1F)-c1nn(C(C)c2nc3cccc(F)c3c(=O)n2CC(C)C)c2ncnc(N)c12
COc1ccc(cc1F)-c1nn(C(C)c2nc3cccc(F)c3c(=O)n2C(C)C)c2ncnc(N)c12
CCn1c(nc2cccc(F)c2c1=O)C(C)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc12
COc1ccc(cc1F)-c1nn(C(C)c2nc3cccc(F)c3c(=O)n2C)c2ncnc(N)c12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1ncc2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccccc2)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)cc2)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(OC)c2)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(C)c2)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC(C)C)c(F)c2)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(cc2)C(=O)NC)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(NC(C)=O)cc2)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc3OCOc3c2)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2cnn(C)c2)c2c(N)ncnc12
CCC(c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccsc2)c2c(N)ncnc12
CC[C@H](c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc12 |r|
Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
COc1ncc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1
C=CC(=O)Nc1cccc(Nc2ncnc3ccc(cc23)-c2cnc3ccccc3c2)c1
Clc1ccc(cn1)-c1ccc2ncnc(Nc3cccc(NC(=O)C=C)c3)c2c1
C\C=C\C(=O)Nc1cccc(Nc2ncnc3ccc(cc23)-c2cnc3ccccc3c2)c1
CC#CC(=O)Nc1cccc(Nc2ncnc3ccc(cc23)-c2cnc3ccccc3c2)c1
Cc1ccc(Nc2ncnc3ccc(cc23)-c2cnc3ccccc3c2)cc1NC(=O)C=C
C=CC(=O)N1CCc2ccc(Nc3ncnc4ccc(cc34)-c3cnc4ccccc4c3)cc12
CCC(=O)Nc1cccc(Nc2ncnc3ccc(cc23)-c2cnc3ccccc3c2)c1
CC(C)(C)OC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1CC[C@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CNC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
COC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
C[C@@]1(CCN(C1)S(C)(=O)=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CNS(=O)(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC(C)(O)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC(C)(N)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(C)(C)OC(=O)N1CC[C@@](C)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
CC(C)C(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
CS(=O)(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)nc(n1)N1CCOCC1 |r|
COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1 |r|
C[C@@H](Nc1ncnc(N)c1C#N)c1nc2cc(F)ccc2n1-c1cccc(c1)S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cc(F)ccc2n1-c1cccc(c1)S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccc(F)cc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccn1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccnc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1S(C)(=O)=O |r,wD:1.0,(32.71,-29.69,;34.04,-28.91,;34.04,-27.37,;32.7,-26.61,;31.37,-27.37,;30.04,-26.61,;30.04,-25.06,;31.37,-24.29,;31.36,-22.75,;32.7,-25.06,;34.03,-24.28,;35.36,-23.51,;35.38,-29.68,;36.78,-29.05,;37.82,-30.19,;39.35,-30.19,;40.11,-31.51,;39.35,-32.85,;40.12,-34.18,;37.82,-32.85,;37.05,-31.52,;35.54,-31.21,;34.41,-32.24,;32.94,-31.76,;31.8,-32.8,;32.12,-34.31,;33.6,-34.77,;34.73,-33.73,;36.19,-34.2,;36.52,-35.7,;36.58,-32.71,;37.67,-33.8,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cccc(c1)S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccccc1S(C)(=O)=O |r,wD:1.0,(11.04,-46.77,;12.38,-45.99,;12.38,-44.44,;11.04,-43.68,;9.7,-44.45,;8.37,-43.68,;8.37,-42.13,;9.7,-41.35,;9.7,-39.81,;11.03,-42.12,;12.37,-41.35,;13.71,-40.57,;13.72,-46.76,;15.13,-46.13,;16.17,-47.27,;17.7,-47.27,;18.47,-48.6,;17.71,-49.94,;18.48,-51.27,;16.17,-49.94,;15.39,-48.61,;13.89,-48.3,;12.75,-49.32,;11.29,-48.85,;10.15,-49.88,;10.47,-51.39,;11.94,-51.85,;13.08,-50.82,;14.53,-51.28,;14.87,-52.79,;14.93,-49.79,;16.02,-50.88,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccc(F)cc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cncc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccccn1 |r|
Fc1ccc(cc1)S(=O)(=O)Nc1c(Cl)nccc1-c1ccc2OCC(=O)N(c3ccc(Cl)cc3)c2c1
COc1ccc(cn1)C(=O)Nc1cccc(c1)-n1c2c(ccc1=O)oc1ccc(C=C)cc21
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@H]1C |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1(C)C |r|
COc1ccc(CNC(=O)Cc2nnc(o2)-c2ccc3ncccc3c2)cc1OC
Clc1ccc(CCNC(=O)Cc2nnc(o2)-c2ccc3ncccc3c2)cc1
C[C@H](Nc1nc(N)nc(C)c1C#N)c1c(C)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
COc1ccc(cc1)-c1c([C@H](C)Nc2nc(N)nc(N)c2C#N)c(-c2ccccc2)c(=O)n2cc(F)ccc12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(cc2)C(N)=O)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccccc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(C2CC2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(C)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1c(C)c(=O)n2cc(F)ccc2c1-c1ccc(F)cc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cc(C)cc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cccc(C)c1 |r|
C[C@H](Nc1nc(N)nc(C)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1nc(N)ncc1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2ccc(F)c(C)n2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2cccc(C)n2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)n2c(=O)c1-c1ccccc1 |r|
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCNC(=O)C3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C)C(=O)C3)cc2n1
CCN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-n2c(CC)nc3ccccc23)CC1=O
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCC(O)CC4)C(=O)C3)cc2n1 |(76.28,-14.83,;74.81,-15.3,;73.67,-14.27,;72.16,-14.59,;71.39,-13.25,;69.9,-12.94,;69.42,-11.49,;70.45,-10.34,;71.95,-10.66,;72.42,-12.12,;73.83,-12.74,;75.17,-11.97,;75.17,-10.42,;76.5,-9.65,;76.5,-8.12,;77.83,-7.35,;77.83,-5.81,;76.5,-5.04,;75.16,-5.81,;75.16,-7.36,;77.83,-10.42,;79.3,-9.93,;80.21,-11.17,;81.75,-11.16,;82.51,-9.83,;81.74,-8.51,;82.51,-7.17,;84.05,-7.16,;84.82,-5.83,;86.37,-5.83,;87.13,-4.51,;86.37,-3.17,;87.14,-1.84,;84.83,-3.17,;84.05,-4.5,;84.82,-8.5,;86.36,-8.49,;84.06,-9.83,;79.31,-12.43,;77.84,-11.96,;76.5,-12.74,)|
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)C(=O)C3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCCC4)C(=O)C3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN([C@H]4CC[C@H](O)CC4)C(=O)C3)cc2n1 |r,wU:28.30,wD:31.34,(54.67,-34.34,;53.21,-34.82,;52.06,-33.78,;50.55,-34.1,;49.79,-32.77,;48.29,-32.45,;47.81,-31,;48.84,-29.85,;50.34,-30.17,;50.82,-31.63,;52.22,-32.25,;53.56,-31.48,;53.56,-29.94,;54.89,-29.17,;54.89,-27.63,;56.23,-26.86,;56.23,-25.33,;54.89,-24.55,;53.56,-25.33,;53.56,-26.87,;56.23,-29.93,;57.69,-29.44,;58.61,-30.69,;60.15,-30.68,;60.91,-29.34,;60.13,-28.02,;60.9,-26.68,;62.45,-26.68,;63.21,-25.35,;62.43,-24.02,;63.21,-22.68,;64.75,-22.68,;65.52,-21.35,;65.52,-24.02,;64.75,-25.35,;63.22,-28.01,;64.76,-28.01,;62.46,-29.34,;57.71,-31.94,;56.24,-31.47,;54.89,-32.25,)|
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(N)=O)C(=O)C3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(=O)N4CCOCC4)C(=O)C3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(c4cnn(C)c4)C(=O)C3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(c4nccs4)C(=O)C3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(=O)C3)c3cccnc3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C)CC3=O)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(F)(F)F)CC3=O)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(C)C)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)CC3=O)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCCC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCCCC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCN(C)CC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCOCC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCSCC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCC(F)(F)CC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCC4(CC3)OCCO4)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC=C)CC3=O)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCC(=O)CC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCC(CC3)N(C)C)cc2n1 |(30.34,-16.39,;28.87,-16.86,;27.73,-15.83,;26.22,-16.15,;25.45,-14.81,;23.95,-14.5,;23.47,-13.04,;24.5,-11.88,;26.01,-12.2,;26.48,-13.67,;27.89,-14.3,;29.24,-13.52,;29.24,-11.97,;30.57,-11.2,;30.57,-9.66,;31.91,-8.88,;31.9,-7.35,;30.57,-6.57,;29.23,-7.35,;29.23,-8.89,;31.91,-11.96,;33.38,-11.48,;34.3,-12.73,;35.84,-12.72,;36.6,-11.37,;35.83,-10.05,;36.6,-8.71,;38.14,-8.7,;38.92,-10.04,;38.16,-11.38,;38.93,-12.72,;38.91,-7.37,;40.45,-7.37,;41.22,-6.05,;40.45,-4.71,;38.91,-4.71,;38.14,-6.05,;41.22,-3.38,;42.76,-3.38,;40.45,-2.05,;33.39,-13.98,;31.91,-13.51,;30.58,-14.3,)|
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCC(CC3)N3CCCC3)cc2n1 |(54.97,-16.71,;53.5,-17.18,;52.36,-16.15,;50.85,-16.47,;50.08,-15.13,;48.58,-14.81,;48.1,-13.36,;49.13,-12.2,;50.64,-12.52,;51.11,-13.99,;52.52,-14.61,;53.87,-13.84,;53.87,-12.29,;55.2,-11.52,;55.2,-9.98,;56.53,-9.2,;56.53,-7.66,;55.2,-6.89,;53.86,-7.66,;53.86,-9.21,;56.54,-12.28,;58,-11.8,;58.92,-13.04,;60.47,-13.04,;61.23,-11.69,;60.46,-10.37,;61.23,-9.03,;62.77,-9.02,;63.55,-10.36,;62.79,-11.7,;63.56,-13.03,;63.54,-7.69,;65.08,-7.69,;65.85,-6.36,;65.08,-5.03,;63.54,-5.03,;62.77,-6.37,;65.85,-3.7,;67.38,-3.54,;67.69,-2.03,;66.36,-1.28,;65.22,-2.29,;58.02,-14.3,;56.54,-13.83,;55.21,-14.61,)|
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(N)=O)CC3=O)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)[C@H](C)O)cc2n1 |r|
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(C)=O)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CCC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CCCC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CCCCC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C=C)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)OC(C)(C)C)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)S(C)(=O)=O)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)S(=O)(=O)CC)cc2n1
CCCS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-n2c(CC)nc3ccccc23)C(=O)C1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)S(=O)(=O)C3CC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(=O)(=O)C3CC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)C3CCCC3)cc2n1
NC(=O)c1cccc2cc(oc12)C(=O)N1CCN(CC1)c1nc(nc(n1)-c1cnc(NC(=O)CN2CCOCC2)cc1C(F)(F)F)N1CCOCC1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(\C(C)=C\C(=O)N3CCN(C)CC3)c2c1
C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(nc(n4)N)N)C#N
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(c1)C#N |r|
NC(=O)[C@H]1CCCN1C(=O)c1ccc2nc(Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)[nH]c2c1 |r|
NC(=O)C1CCN(CC1)C(=O)c1ccc2nc(Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)[nH]c2c1
C[C@H](NC(=O)c1ccc2nc(Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)[nH]c2c1)C(N)=O |r|
O=C(N1CCOCC1)c1ccc2nc(Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)[nH]c2c1
CN1CCN(CC1)C(=O)c1ccc2nc(Nc3ccc(cc3)-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)[nH]c2c1
CN(C)C1CCN(CC1)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c1
Cc1c(CN2CCN(CC2)C(=O)c2cc3cccc(C(N)=O)c3o2)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
NC(=O)c1cccc2cc(oc12)C(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1
NC(=O)c1cccc2cc(oc12)C(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3o2)-c2cnc(N)nc2)CC1
Cc1c(CN2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(11.87,-16.49,;13.18,-15.69,;13.14,-14.15,;11.78,-13.41,;11.74,-11.87,;13.05,-11.07,;14.4,-11.8,;14.45,-13.34,;15.8,-14.07,;17.11,-13.27,;17.07,-11.73,;18.38,-10.92,;19.74,-11.65,;21.05,-10.84,;21.01,-9.3,;22.41,-11.58,;22.45,-13.12,;23.8,-13.85,;21.14,-13.92,;21.18,-15.46,;19.87,-16.27,;19.91,-17.81,;21.26,-18.54,;22.57,-17.74,;22.53,-16.2,;21.3,-20.08,;22.66,-20.82,;22.7,-22.36,;23.97,-20.01,;23.93,-18.47,;25.24,-17.67,;26.6,-18.39,;26.64,-19.93,;25.33,-20.74,;19.78,-13.19,;18.47,-13.99,;10.39,-11.14,;9.07,-11.94,;7.71,-11.21,;7.67,-9.68,;6.32,-8.94,;8.98,-8.87,;10.34,-9.6,)|
Oc1cccc(c1)-c1cc(C2=CCNCC2)c2cn[nH]c2c1 |t:11|
Oc1cccc(c1)-c1cc(O)c(O)c2ncccc12
Oc1ccc(CNc2ccnc3NNC(c23)c2ccc3OCOc3c2)cc1
O=c1[nH][nH]c2ccc(NCCCc3ccccc3)cc12
Oc1cccc(c1)-c1cc(NCCCc2ccccc2)cc2C(=O)NCc12
Oc1cccc(c1)-c1cc(NCCCN2CCOCC2)cc2C(=O)NCc12
Oc1cc(F)cc(c1)-c1cc(NCCCc2ccccc2)cc2C(=O)NCc12
Oc1cc(F)cc(c1)-c1cccc2C(=O)NCc12
Oc1cc(F)cc(c1)-c1cc(cc2C(=O)NCc12)-c1cccc(F)c1
C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1cc2C(=O)NCc2c(c1)-c1cc(O)cc(F)c1 |r|
C[C@H]1CN(Cc2nnc(o2)-c2cc3C(=O)NCc3c(c2)-c2cc(O)cc(F)c2)C[C@@H](C)O1 |r|
Oc1cc(F)cc(c1)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CCOCC2)cc2C(=O)NCc12 |r|
Oc1cc(F)cc(c1)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CC(F)(F)C2)cc2C(=O)NCc12 |r|
Oc1cc(F)cc(c1)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CC2)cc2C(=O)NCc12 |r|
COc1ccc(cn1)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CC2)cc2C(=O)NCc12 |r|
Oc1cncc(c1)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CC2)cc2C(=O)NCc12 |r|
Oc1cc(cnc1F)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CC2)cc2C(=O)NCc12 |r|
Cc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CC2)cc2C(=O)NCc12 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CC2)cc2C(=O)NCc12 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cccc2C(=O)NCc12
COc1cc2C(=O)NCc2c(c1)-c1cnc(OC)c(NS(C)(=O)=O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC(C)C)cc2C(=O)NCc12
CCOc1cc2C(=O)NCc2c(c1)-c1cnc(OC)c(NS(C)(=O)=O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC2CCC2)cc2C(=O)NCc12
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCC2CCC2)cc2C(=O)NCc12
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC2CN(C2)C(=O)C2CC2)cc2C(=O)NCc12
COc1ncc(cc1NS(C)(=O)=O)-c1cc(cc2C(=O)NCc12)-c1ccc(nc1)C#C
COc1ncc(cc1NS(C)(=O)=O)-c1cc(cc2C(=O)NCc12)-c1ccnc(c1)N1C[C@H](C)O[C@H](C)C1 |r|
Cn1ncc2cc(cnc12)-c1cc(OC2CN(C2)C(=O)C2CC2)cc2C(=O)NCc12
FC(F)Oc1cc(cnc1Cl)-c1cc(OC2CN(C2)C(=O)C2CC2)cc2C(=O)NCc12
Nc1ncc(cc1C(F)(F)F)-c1cc(OC2CN(C2)C(=O)C2CC2)cc2C(=O)NCc12
FC(F)Oc1ccc(cn1)-c1cc(OC2CN(C2)C(=O)C2CC2)cc2C(=O)NCc12
CNc1ncc(cc1C(F)(F)F)-c1cc(OC2CN(C2)C(=O)C2C[C@H]2C)cc2C(=O)NCc12 |r|
C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1cc2C(=O)NCc2c(c1)-c1cnc(C)nc1 |r|
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(N3CCOCC3)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(N3CCOCC3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(Nc3ccccc3)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(Nc3ccccc3)c2c1
CC(=O)Nc1ccc(Nc2cnnc3ccc(cc23)-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cc1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(Nc3ccc(NC(C)=O)cc3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(Cl)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(Cl)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nnccc2c1
COc1ccc(CNc2cnnc3ccc(cc23)-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cc1
C[C@@H](Nc1cnnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 |r|
C[C@H](Nc1cnnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 |r|
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(N3CCCC3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(N3CCCCC3)c2c1
CC1CCN(CC1)c1cnnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(N3CCNCC3)c2c1
COc1cnnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CCOc1cnnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CCCCCCOc1cnnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Oc1cnnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(-n3ccnc3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(-c3ccncc3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(-c3ccccc3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(-c3ccc(cc3)N3CCOCC3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(-c3cnc(nc3)N3CCOCC3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2nncc(-c3ccc(nc3)N3CCOCC3)c2c1
COc1ncc(cc1S(=O)(=O)Nc1ccccc1)C1=CCOCC1 |t:20|
Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOCC3
COc1ncc(cc1S(=O)(=O)Nc1cncc(C)c1)C1=CCOCC1 |t:21|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C1CC1CN(C)C)C1=CCOCC1 |t:28|
CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)C1=CCOCC1 |t:38|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(C)CC2)cc1)C1=CCOCC1 |t:36|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCNCC2)cc1)C1=CCOCC1 |t:35|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCC2)cc1)C1=CCOCC1 |t:34|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1cccc(CN2CCCCC2)c1)C1=CCOCC1 |t:35|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1cccc(CN2CCCC2)c1)C1=CCOCC1 |t:34|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCCC2)s1)C1=CCOCC1 |t:34|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)nc1)C1=CCOCC1 |t:38|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN(C)C)cc1)C1=CCOCC1 |t:31|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1=CCOCC1 |r,t:37|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)cc1)C1=CCOCC1 |r,t:38|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(cc1)N1CCN(CC1)C(C)C)C1=CCOCC1 |t:37|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C#CCN1CCN(CC1)C(C)C)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCC2)cc1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCC2)c(F)c1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCC2)cc1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCC(CC2)C(C)(C)O)cc1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1F)N1CCOCC1 |r|
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)C1CC1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(8.47,-3.48,;7.14,-4.25,;5.8,-3.49,;4.47,-4.26,;4.48,-5.79,;5.81,-6.57,;7.15,-5.79,;8.48,-6.56,;8.48,-8.1,;9.81,-8.87,;11.14,-8.09,;12.48,-8.86,;11.14,-6.54,;9.8,-5.78,;12.46,-5.77,;12.46,-4.23,;13.8,-6.53,;14.57,-7.86,;15.34,-6.52,;3.14,-6.56,;1.6,-6.56,;2.38,-5.23,;3.15,-8.11,;4.49,-8.87,;5.82,-8.1,;7.15,-8.87,;7.15,-10.41,;8.48,-11.19,;5.82,-11.18,;4.49,-10.41,)|
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)c(F)c1
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2[nH]c(nc12)-c1cnn(CC)c1C |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC)c(nc12)-c1cnn(CC)c1C |r|
CCCn1c(nc2c(N[C@H]3CCN(C3)C(=O)CC)ncnc12)-c1cnn(CC)c1C |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC(F)F)c(nc12)-c1cnn(CC)c1C |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC(F)(F)F)c(nc12)-c1cnn(CC)c1C |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C3CC3)c(nc12)-c1cnn(CC)c1C |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC3CC3)c(nc12)-c1cnn(CC)c1C |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1ccn(CC)c1C |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(s1)C(C)(C)C |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(C)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1 |r|
CCCn1c(nc2c(N[C@H]3CCN(C3)C(=O)CC)ncnc12)-c1cnc(C)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1ccc(C)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1ccc(nc1)C(F)(F)F |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1ccc(OC)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(OC)c(F)c1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnc(OC)c(C)c1 |r|
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CCC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1 |r,wU:15.15,17.20,wD:8.7,(5.22,-48.01,;6.72,-47.68,;7.19,-46.21,;6.28,-44.98,;7.17,-43.73,;8.63,-44.19,;9.97,-43.42,;9.96,-41.88,;11.29,-41.1,;12.7,-41.71,;13.72,-40.56,;12.94,-39.23,;11.44,-39.56,;13.56,-37.82,;12.65,-36.58,;15.09,-37.66,;16.29,-38.62,;17.25,-37.42,;16.05,-36.46,;18.78,-37.25,;19.7,-38.49,;11.3,-44.17,;11.32,-45.71,;9.98,-46.49,;8.64,-45.73,;4.74,-44.99,;3.96,-43.66,;2.5,-43.58,;1.66,-45.01,;.12,-45.02,;2.45,-46.34,;3.99,-46.32,)|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1 |r,wU:15.15,17.20,wD:8.7,(21.37,-48.31,;22.88,-47.98,;23.34,-46.51,;22.43,-45.28,;23.32,-44.03,;24.79,-44.5,;26.13,-43.72,;26.12,-42.18,;27.45,-41.4,;28.85,-42.02,;29.87,-40.87,;29.1,-39.54,;27.59,-39.86,;29.72,-38.13,;28.81,-36.89,;31.24,-37.96,;32.44,-38.92,;33.41,-37.72,;32.2,-36.76,;34.94,-37.55,;35.85,-38.79,;27.46,-44.47,;27.47,-46.01,;26.14,-46.79,;24.8,-46.03,;20.89,-45.29,;20.12,-43.96,;18.66,-43.88,;17.82,-45.31,;16.28,-45.32,;18.6,-46.64,;20.14,-46.62,)|
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)c3cocn3)ncnc12)-c1cnc(C)nc1 |r|
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(nc1)C(F)(F)F |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F |r,wU:15.15,17.20,wD:8.7,(6.25,-49.15,;7.76,-48.82,;8.22,-47.36,;7.31,-46.12,;8.21,-44.87,;9.67,-45.34,;11.01,-44.56,;11,-43.02,;12.33,-42.24,;13.73,-42.86,;14.76,-41.71,;13.98,-40.38,;12.47,-40.71,;14.6,-38.97,;13.69,-37.73,;16.13,-38.8,;17.32,-39.76,;18.29,-38.56,;17.09,-37.6,;19.82,-38.39,;20.73,-39.63,;12.34,-45.32,;12.35,-46.85,;11.02,-47.64,;9.68,-46.87,;5.77,-46.13,;5,-44.8,;3.46,-44.81,;2.7,-46.15,;3.49,-47.48,;5.02,-47.47,;1.16,-46.17,;.38,-44.84,;.4,-47.51,;-.39,-46.16,)|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOC3)ncnc12)-c1ccc(nc1)C(F)(F)F |r|
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3cocn3)ncnc12)-c1ccc(nc1)C(F)(F)F |r|
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2[nH]ccc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2[nH]ncc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2[nH]cnc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2[nH]ccc2n1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cc2cc[nH]c2cn1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2NCCc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2NCCc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ncc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cnc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2n1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2[nH]nnc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2[nH]ncc2n1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cc2cn[nH]c2cn1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2occc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2sccc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2ocnc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2occc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1ccc2scnc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2scnc2c1
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)Nc1ccccc1)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)Nc1cccc(c1)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)Nc1cccc(c1)C#N)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)N(C)c1cccc(c1)C#N)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)Nc1cc(cc(c1)S(C)(=O)=O)C#N)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)Nc1cccc(CN(C)C)c1)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)Nc1ccc(CN(C)C)cc1)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)N(C)c1ccc(CN(C)C)cc1)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)Nc1ccc(cc1)C#N)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)Nc1ccc(cc1)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(C)n2)nc1C |r|
COCCNC(=O)c1cccc(Nc2nc(C)c(s2)-c2cc3CN([C@@H](C)C4CC4)C(=O)c3c(c2)S(C)(=O)=O)n1 |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2cccc(n2)C(=O)NCCCN(C)C)nc1C |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(Nc2ccc(cn2)C(=O)NCCCN(C)C)nc1C |r|
CCN(CC)C(=O)c1cccc(Nc2nc(C)c(s2)-c2cc3CN([C@@H](C)C4CC4)C(=O)c3c(c2)S(=O)(=O)NC)n1 |r|
C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)Nc1ccc(CN(C)CCCNC(=O)c2cccc(Nc4nc(C)c-3s4)n2)cc1 |r|
C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)Nc1ccc(CN(C)CCCCNC(=O)c2cccc(Nc4nc(C)c-3s4)n2)cc1 |r|
C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCCCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCN(C)CCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCN(C)CCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)-c2nc(C)nn2C)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)-c2nc(C)n(C)n2)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)-c2ocnc2CO)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCCCC2=O)nc1C |r|
COc1cc(CN(c2cc(cnc2OC)-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)S(=O)(=O)c2ccc(F)cc2F)c(cc1OC)[N+]([O-])=O
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOCC2)c2ncnc(C)c2c1
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCNCC1
CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
OCCNc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
OCCN(CCO)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
COCCN(CCOC)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
COCCN(CCO)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
CNCCN(CCO)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
OC(=O)CCNc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
CNC(=O)CCNc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
NCCNc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
CNCCNc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
NOCCOCCOCCOCCNc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
NOCCOCCOCCOCCN(CCO)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
CC(=O)NCCNc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
CN(CCNc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1)C(C)=O
FC(F)c1nc2ccccc2n1-c1nc(NCCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)nc(n1)N1CCOCC1
OCCN(CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |r|
NC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |r|
CN(C)[C@@H]1C[C@H](N(C1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1)C(N)=O |r|
NC(=O)[C@@H]1CC(O)CN1C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |r|
C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1)C(N)=O |r|
C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOC[C@@H]2C)N2CCOCC2)cc1)C(N)=O |r|
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(\C=N\N=c2/scc(-c3ccccc3)n2-c2ccccc2)cc1
FC(F)(F)COc1ccc(cc1)-c1nnc(Nc2ccccc2)s1
COC(=O)\C=C1/S\C(=N/N=C/c2ccc(OCC(F)(F)F)cc2)N(C1=O)c1ccccc1
c1cc(oc1)c2nc3c4cc(ccc4nc(n3n2)N)Cl
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1ccc(F)cc1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1ccc(Cl)cc1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1ccc(cc1)C#N
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1ccc(cc1)C(F)(F)F
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(=O)c1ccc(cc1)-c1ccc2ncc3nc(C)n(-c4ccc(F)cc4)c3c2c1
CNC(=O)c1ccc(cc1)-c1ccc2ncc3nc(C)n(-c4ccc(F)cc4)c3c2c1
COC(=O)c1ccc(cc1)-c1ccc2ncc3nc(C)n(-c4ccc(F)cc4)c3c2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1ccc(C)cc1
COc1ccc(cc1)-c1ccc2ncc3nc(C)n(-c4ccc(F)cc4)c3c2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1ccc(O)cc1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1ccc(N)cc1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1ccc(N)nc1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1cnc(N)nc1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1cnc(nc1)N1CCOCC1
Cc1noc(C)c1-c1ccc2ncc3nc(C)n(-c4ccc(F)cc4)c3c2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1cnn(C)c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1ccc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1cnc2ccccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)cc1)-c1ccc2ccccc2c1
Cc1nc2cnc3ccc(cc3c2n1C)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1C1CC1)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1CC1CCOCC1)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1CC1CCOC1)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1Cc1ccccc1)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccccc1)-c1cnc2[nH]ccc2c1
COc1ccc(cc1)-n1c(C)nc2cnc3ccc(cc3c12)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(F)nc1)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(cc1)C(F)(F)F)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(nc1)C(F)(F)F)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(cc1)C#N)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(CC#N)cc1)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(cc1)C(C)(C)C#N)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3cc(F)c(cc3c2n1-c1ccc(cc1)C(C)(C)C#N)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(nc1)C(C)(C)C#N)-c1cnc2[nH]ccc2c1
Cc1nc2cnc3ccc(cc3c2n1-c1ccc(cc1)N1CCOCC1)-c1cnc2[nH]ccc2c1
C[C@@H](c1ccccc1)n1c(C)nc2cnc3ccc(cc3c12)-c1cnc2[nH]ccc2c1 |r|
C[C@H](c1ccccc1)n1c(C)nc2cnc3ccc(cc3c12)-c1cnc2[nH]ccc2c1 |r|
C[C@@H](c1ccc(F)cc1)n1c(C)nc2cnc3ccc(cc3c12)-c1cnc2[nH]ccc2c1 |r|
C[C@H](c1ccc(F)cc1)n1c(C)nc2cnc3ccc(cc3c12)-c1cnc2[nH]ccc2c1 |r|
COc1ccc(cn1)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1
CN1C(=O)CN(C2CCOCC2)c2nc(Nc3cn4ncnc4cc3C)ncc12
[H][C@]12C[C@H](N(c3nc(N)nc(N)c3C#N)[C@@]1([H])CCCC2)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1 |r|
[H][C@]12C[C@H](N(c3nc(N)nc(N)c3C#N)[C@@]1([H])CCCC2)c1nc2cccc(F)c2c(=O)n1-c1cccnc1 |r|
[H][C@]12C[C@H](N(c3nc(N)nc(N)c3C#N)[C@@]1([H])CCCC2)c1nc2cccc(Cl)c2c(=O)n1N1CCOCC1 |r|
C[C@H]1CC[C@H](N1c1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1 |r|
C[C@H]1CC[C@H](N1c1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
COc1cncc(c1)-c1cccc2nc([C@@H]3CC[C@H](C)N3c3nc(N)nc(N)c3C#N)n(-c3cccc(F)c3)c(=O)c12 |r|
C[C@H]1CC[C@H](N1c1nc(N)nc(N)c1C#N)c1nc2c(F)cc(F)cc2c(=O)n1-c1cccnc1 |r|
COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1
C[C@H]1OC(=O)N([C@H]1CO)c1nc(cc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1 |r|
Cc1cc2c(cccn2)cc1Nc3ncc4c(n3)N(C(=O)N4C)[C@@H]5CNC[C@H]5F
CNC(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
CC(=O)Nc1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1
OC(=O)c1ccc(CNc2nc3ccc(cc3o2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Nc1nc2cc(ccc2o1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Nc1ncnc(N2CC3(CC3)C[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1ncnc(N2CC(=C)C[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#N |r|
Nc1ncnc(N2C[C@@H](C[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)OCC=C)c1C#N |r|
Nc1ncnc(N2CC(F)(F)C[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#N |r|
[H][C@]12C[C@H](N(c3ncnc(N)c3C#N)[C@@]1([H])CCCC2)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
[H][C@]12C[C@H](N(c3ncnc(N)c3C#N)[C@@]1([H])CCCC2)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1 |r|
[H][C@]12C[C@H](N(c3ncnc(N)c3C#N)[C@@]1([H])CCCC2)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
[H][C@]12C[C@H](N(c3ncnc(N)c3C#N)[C@@]1([H])CCCC2)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
[H][C@]12C[C@H](N(c3ncnc(N)c3C#N)[C@@]1([H])CCCC2)c1nc2cccc(Cl)c2c(=O)n1N1CCOCC1 |r|
[H][C@]12C[C@H](N(c3ncnc(N)c3C#N)[C@@]1([H])CCCC2)c1nc2cccc(F)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
C[C@H]1CC[C@H](N1c1nc(N)nc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H]1CC[C@H](N1c1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H]1CC[C@H](N1c1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1 |r|
C[C@H]1CC[C@H](N1c1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H]1CC[C@H](N1c1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N1CCOCC1 |r|
C[C@H]1CC[C@H](N1c1nc(N)nc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1 |r|
C[C@H]1CC[C@H](N1c1ncnc2[nH]ccc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1 |r|
C[C@H]1CC[C@H](N1c1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1 |r|
C[C@@H](c1oc2ccc(F)cc2c(=O)c1-c1cccc(F)c1)n1nc(-c2ccc(OC(F)F)c(F)c2)c2c(N)ncnc12 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CCC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3COC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CCOC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CNC(=O)C3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@H](CC3)C(O)=O)c2n1 |r,wU:1.1,30.36,wD:27.29,(8.04,3.55,;7.27,2.22,;8.04,.88,;8.04,-.66,;9.37,.11,;5.73,2.22,;4.82,3.46,;3.36,2.99,;2.03,3.76,;.69,2.99,;.69,1.44,;2.03,.68,;2.03,-.86,;3.36,1.45,;4.82,.97,;5.22,-.52,;-.64,3.76,;-.64,5.29,;-1.96,6.06,;-3.29,5.29,;-4.76,5.77,;-5.66,4.52,;-7.2,4.52,;-4.76,3.27,;-5.53,1.94,;-7.07,1.94,;-4.76,.61,;-5.53,-.73,;-7.07,-.73,;-7.84,-2.06,;-7.07,-3.39,;-5.53,-3.39,;-4.76,-2.06,;-7.84,-4.73,;-9.37,-4.73,;-7.07,-6.06,;-3.29,3.75,;-1.96,2.99,)|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@H](N)CC3)c2n1 |r,wU:1.1,30.33,wD:27.29,(7.27,2.89,;6.5,1.55,;7.27,.22,;7.27,-1.32,;8.6,-.55,;4.96,1.55,;4.06,2.8,;2.59,2.32,;1.26,3.09,;-.07,2.32,;-.07,.78,;1.26,.01,;1.26,-1.53,;2.59,.78,;4.06,.31,;4.45,-1.18,;-1.41,3.09,;-1.41,4.63,;-2.73,5.39,;-4.06,4.63,;-5.52,5.1,;-6.43,3.86,;-7.97,3.86,;-5.52,2.61,;-6.29,1.28,;-7.83,1.28,;-5.52,-.06,;-6.29,-1.39,;-7.83,-1.39,;-8.6,-2.72,;-7.83,-4.06,;-8.6,-5.39,;-6.29,-4.06,;-5.52,-2.72,;-4.06,3.09,;-2.73,2.33,)|
C[C@H](CO)NC(=O)c1c(N)nn2ccc(nc12)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(C)c1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3C[C@H](O)C3)c2n1 |r,wU:27.29,1.1,wD:29.32,(7.04,2.51,;6.27,1.17,;7.04,-.16,;7.04,-1.7,;8.37,-.93,;4.73,1.17,;3.83,2.42,;2.36,1.95,;1.03,2.71,;-.3,1.94,;-.3,.4,;1.04,-.36,;1.04,-1.9,;2.36,.4,;3.83,-.07,;4.22,-1.56,;-1.63,2.71,;-1.63,4.25,;-2.96,5.01,;-4.29,4.25,;-5.75,4.72,;-6.66,3.48,;-8.2,3.48,;-5.75,2.23,;-6.52,.9,;-8.06,.9,;-5.75,-.44,;-6.52,-1.77,;-6.12,-3.28,;-7.6,-3.68,;-8.37,-5.01,;-8.01,-2.17,;-4.29,2.71,;-2.96,1.95,)|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H]3CC[C@@H](O)C3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1 |r,wU:1.1,27.29,wD:30.33,(7.27,2.89,;6.5,1.55,;7.27,.22,;7.27,-1.32,;8.6,-.55,;4.96,1.55,;4.06,2.8,;2.59,2.32,;1.26,3.09,;-.07,2.32,;-.07,.78,;1.26,.01,;1.26,-1.53,;2.59,.78,;4.05,.31,;4.45,-1.18,;-1.41,3.09,;-1.41,4.63,;-2.73,5.39,;-4.06,4.63,;-5.52,5.1,;-6.43,3.86,;-7.97,3.86,;-5.52,2.61,;-6.29,1.28,;-7.83,1.28,;-5.52,-.06,;-6.29,-1.39,;-5.52,-2.72,;-6.29,-4.06,;-7.83,-4.06,;-8.6,-5.39,;-8.6,-2.72,;-7.83,-1.39,;-4.06,3.09,;-2.73,2.33,)|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:1.1,27.29,wD:30.34,(7.55,2.99,;6.78,1.66,;7.55,.32,;7.55,-1.22,;8.89,-.45,;5.24,1.66,;4.34,2.9,;2.87,2.43,;1.54,3.2,;.21,2.43,;.21,.88,;1.55,.12,;1.55,-1.42,;2.87,.89,;4.34,.41,;4.74,-1.08,;-1.12,3.2,;-1.12,4.73,;-2.45,5.5,;-3.78,4.73,;-5.24,5.21,;-6.15,3.96,;-7.69,3.96,;-5.24,2.71,;-6.01,1.38,;-7.55,1.38,;-5.24,.05,;-6.01,-1.29,;-5.24,-2.62,;-6.01,-3.95,;-7.55,-3.95,;-7.55,-5.5,;-8.89,-4.73,;-8.32,-2.62,;-7.55,-1.29,;-3.78,3.19,;-2.44,2.43,)|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:1.1,27.29,30.34,(7.55,2.99,;6.78,1.66,;7.55,.32,;7.55,-1.22,;8.89,-.45,;5.24,1.66,;4.34,2.9,;2.87,2.43,;1.54,3.2,;.21,2.43,;.21,.88,;1.55,.12,;1.55,-1.42,;2.87,.89,;4.34,.41,;4.74,-1.08,;-1.12,3.2,;-1.12,4.73,;-2.45,5.5,;-3.78,4.73,;-5.24,5.21,;-6.15,3.96,;-7.69,3.96,;-5.24,2.71,;-6.01,1.38,;-7.55,1.38,;-5.24,.05,;-6.01,-1.29,;-5.24,-2.62,;-6.01,-3.95,;-7.55,-3.95,;-7.55,-5.5,;-8.89,-4.73,;-8.32,-2.62,;-7.55,-1.29,;-3.78,3.19,;-2.44,2.43,)|
COc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C3CC3)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
CC(C)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
CCS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)C1CC1)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)C1CCC1)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
CC(C)S(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
Cc1cc(cc2CN(CC3CC3)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1
CCN1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1
Cc1cc(cc2CN([C@@H](C3CC3)C(F)(F)F)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
CS(=O)(=O)Nc1cc(cc2CN([C@@H](C3CC3)C(F)(F)F)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
C[C@H](N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1)C(F)(F)F |r|
CC[C@H](N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1)C(F)(F)F |r|
CC(C)[C@H](N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1)C(F)(F)F |r|
C[C@H](N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1)C(F)(F)F |r|
C[C@H](N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1)C(F)(F)F |r,wU:28.29,1.42,31.34,(7.55,2.89,;6.78,1.55,;5.24,1.55,;4.34,2.8,;2.87,2.32,;1.54,3.09,;.21,2.32,;.21,.78,;1.55,.01,;1.55,-1.53,;.21,-2.3,;.21,-3.84,;-1.12,-1.53,;.21,-.76,;2.87,.78,;4.34,.31,;4.74,-1.18,;-1.12,3.09,;-1.12,4.63,;-2.45,5.39,;-3.78,4.63,;-5.24,5.1,;-6.15,3.86,;-7.69,3.86,;-5.24,2.61,;-6.01,1.28,;-7.55,1.28,;-5.24,-.06,;-6.01,-1.39,;-5.24,-2.72,;-6.01,-4.06,;-7.55,-4.06,;-8.32,-5.39,;-9.09,-4.06,;-8.32,-2.72,;-7.55,-1.39,;-3.78,3.09,;-2.45,2.33,;7.55,.22,;9.09,.22,;6.78,-1.11,;8.1,-1.24,)|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1 |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:32.33,12.13,wD:35.38,(.21,-3.84,;.21,-2.3,;1.55,-1.53,;2.88,-2.3,;1.55,-3.07,;1.55,.01,;.21,.78,;.21,2.32,;1.54,3.09,;2.87,2.32,;4.34,2.8,;5.24,1.55,;6.78,1.55,;7.55,2.89,;7.55,.22,;9.09,.22,;6.78,-1.11,;8.1,-1.24,;4.34,.31,;4.74,-1.18,;2.87,.78,;-1.12,3.09,;-1.12,4.63,;-2.45,5.39,;-3.78,4.63,;-5.24,5.1,;-6.15,3.86,;-7.69,3.86,;-5.24,2.61,;-6.01,1.28,;-7.55,1.28,;-5.24,-.06,;-6.01,-1.39,;-5.24,-2.72,;-6.01,-4.06,;-7.55,-4.06,;-8.32,-5.39,;-9.09,-4.06,;-8.32,-2.72,;-7.55,-1.39,;-3.78,3.09,;-2.44,2.33,)|
C[C@H](N1Cc2cc(cc(Cl)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1)C(F)(F)F |r|
C[C@H](N1Cc2cc(cc(C3CC3)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1)C(F)(F)F |r|
C[C@H](N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1)C(F)(F)F |r|
C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:31.33,1.1,wD:34.38,(7.66,2.89,;6.89,1.55,;7.66,.22,;7.66,-1.32,;8.99,-.55,;5.35,1.55,;4.44,2.8,;2.98,2.32,;1.65,3.09,;.31,2.32,;.31,.78,;1.65,.01,;1.65,-1.53,;.32,-2.3,;.32,-3.84,;-1.02,-1.53,;.32,-.76,;2.98,.78,;4.44,.31,;4.84,-1.18,;-1.02,3.09,;-1.02,4.63,;-2.34,5.39,;-3.67,4.63,;-5.14,5.1,;-6.04,3.86,;-7.58,3.86,;-5.14,2.61,;-5.91,1.28,;-7.45,1.28,;-5.14,-.06,;-5.91,-1.39,;-5.14,-2.72,;-5.91,-4.06,;-7.45,-4.06,;-8.22,-5.39,;-8.99,-4.06,;-8.22,-2.72,;-7.45,-1.39,;-3.67,3.09,;-2.34,2.33,)|
C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](O)(CC3)C(F)(F)F)c2n1 |r,wU:31.33,1.1,34.37,(8.04,3.55,;7.27,2.22,;8.04,.89,;8.04,-.66,;9.37,.11,;5.73,2.22,;4.83,3.47,;3.36,2.99,;2.03,3.76,;.7,2.99,;.7,1.44,;2.03,.68,;2.03,-.86,;.7,-1.63,;.7,-3.17,;-.63,-.86,;.7,-.09,;3.36,1.45,;4.83,.97,;5.22,-.51,;-.64,3.76,;-.64,5.29,;-1.96,6.06,;-3.29,5.29,;-4.75,5.77,;-5.66,4.52,;-7.2,4.52,;-4.75,3.28,;-5.52,1.94,;-7.06,1.94,;-4.75,.61,;-5.52,-.72,;-4.75,-2.06,;-5.52,-3.39,;-7.06,-3.39,;-8.6,-3.39,;-7.83,-2.06,;-7.06,-.72,;-7.83,-4.73,;-7.06,-6.06,;-9.37,-4.73,;-8.6,-6.06,;-3.29,3.75,;-1.96,2.99,)|
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:31.33,1.1,34.38,(7.66,2.89,;6.89,1.55,;7.66,.22,;7.66,-1.32,;8.99,-.55,;5.35,1.55,;4.44,2.8,;2.98,2.32,;1.65,3.09,;.31,2.32,;.31,.78,;1.65,.01,;1.65,-1.53,;.32,-2.3,;.32,-3.84,;-1.02,-1.53,;-1.02,-3.07,;2.98,.78,;4.44,.31,;4.84,-1.18,;-1.02,3.09,;-1.02,4.63,;-2.34,5.39,;-3.67,4.63,;-5.14,5.1,;-6.04,3.86,;-7.58,3.86,;-5.14,2.61,;-5.91,1.28,;-7.45,1.28,;-5.14,-.06,;-5.91,-1.39,;-5.14,-2.73,;-5.91,-4.06,;-7.45,-4.06,;-8.22,-5.39,;-8.99,-4.06,;-8.22,-2.73,;-7.45,-1.39,;-3.67,3.09,;-2.34,2.33,)|
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:30.32,1.1,33.37,(7.66,2.89,;6.89,1.55,;7.66,.22,;7.66,-1.32,;8.99,-.55,;5.35,1.55,;4.44,2.8,;2.98,2.32,;1.65,3.09,;.31,2.32,;.31,.78,;1.65,.01,;1.65,-1.53,;.32,-2.3,;.32,-3.84,;-1.02,-1.53,;2.98,.78,;4.44,.31,;4.84,-1.18,;-1.02,3.09,;-1.02,4.63,;-2.34,5.39,;-3.67,4.63,;-5.14,5.1,;-6.04,3.86,;-7.58,3.86,;-5.14,2.61,;-5.91,1.28,;-7.45,1.28,;-5.14,-.06,;-5.91,-1.39,;-5.14,-2.72,;-5.91,-4.06,;-7.45,-4.06,;-8.22,-5.39,;-8.99,-4.06,;-8.22,-2.72,;-7.45,-1.39,;-3.67,3.09,;-2.34,2.33,)|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(Cl)ccc12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(Cl)ccc12 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(F)ccc12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccc(c2)S(C)(=O)=O)c2cc(Cl)ccc12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccc(c2)S(C)(=O)=O)c2cc(F)ccc12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(F)ccc12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2ccccc12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2ccncc2)c2cc(F)ccc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2cc(Cl)ccc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccc(c2)S(C)(=O)=O)c2cc(F)ccc12 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn(-c2cccnc2)c2cc(F)ccc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2ccccc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2cc(F)ccc12 |r|
C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nn(-c2cccnc2)c2cc(F)ccc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2ccncc2)c2cc(F)ccc12 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2cc(F)ccc12 |r|
CC(C)[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2cc(F)ccc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2ccc(F)cc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2ccc(cc2)C#N)c2cc(F)ccc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2ccc(C)cc12 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(ccc12)C(F)(F)F |r|
CC(Nc1ncnc2[nH]cnc12)c1nn(-c2cccnc2)c2ccccc12
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cc(F)cc(F)c2)c2cc(F)ccc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2cccc(F)c2)c2cc(F)ccc12 |r|
C[C@H](Nc1ncnc2[nH]cnc12)c1nn(-c2ccccn2)c2cc(F)ccc12 |r|
C[C@H](Nc1ncccc1C#N)c1nn(-c2cccnc2)c2cc(F)ccc12 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1cnc(OC)c(c1)C(F)(F)F |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1cnc(OC)c(c1)C#N |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1cnc(OC)c(F)c1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1ccc(OC)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1cnc(OC)c(C)c1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1cnc(OC)c(OC)c1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1ccc(nc1)C#N |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1cncc(c1)S(C)(=O)=O |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1cnc(OC)nc1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1ccc(OC)c(F)c1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1ccc(F)c(c1)C#N |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1ccc(OC)c(OC)c1 |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1ccc(cc1)S(C)(=O)=O |r|
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1cccc(c1)S(C)(=O)=O |r|
CCCC(=O)N1CC[C@@H](C1)Nc1ncnc2sc(cc12)-c1cnc(OC)c(OC)c1 |r|
COc1cc(cnc1OC)-c1cc2c(N[C@H]3CCN(C3)C(=O)C(C)C)ncnc2s1 |r|
COc1cc(cnc1OC)-c1cc2c(N[C@H]3CCN(C3)C(=O)C(C)(C)C)ncnc2s1 |r|
COc1cc(cnc1OC)-c1cc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc2s1 |r|
COc1cc(cnc1OC)-c1cc2c(N[C@H]3CCN(C3)C(=O)C3CCC3)ncnc2s1 |r|
COc1cc(cnc1OC)-c1cc2c(N[C@H]3CCN(C3)C(=O)C3CCCC3)ncnc2s1 |r|
COc1cc(cnc1OC)-c1cc2c(N[C@H]3CCN(C3)C(=O)C3CCCCC3)ncnc2s1 |r|
COc1cc(cnc1OC)-c1cc2c(N[C@H]3CCN(C3)C(=O)c3ccccc3)ncnc2s1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2sc(cc12)-c1cnc(OC)c(c1)C(F)(F)F |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2sc(cc12)-c1cnc(OC)c(c1)C#N |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2sc(cc12)-c1cnc(OC)c(F)c1 |r|
CCC(=O)N1CC[C@@H](C1)Oc1ncnc2sc(cc12)-c1cnc(OC)c(OC)c1 |r|
COc1cc(cnc1OC)-c1cc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc2s1 |r|
COc1cc(cnc1OC)-c1cc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc2s1 |r|
COc1cc(cnc1OC)-c1cc2c(O[C@H]3CCN(C3)C(=O)C3CCC3)ncnc2s1 |r|
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1CCN(CC1)C(=O)CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1CCNCC1
CC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
NOCCOCCOCCOCCC(=O)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1CCCCCC(=O)NO |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1Cc1ccc(cc1)C(=O)NO |r|
ONC(=O)c1ccc(Cn2c(nc3cccc(F)c3c2=O)[C@@H]2CC3(CC3)CN2c2ncnc3[nH]cnc23)cc1 |r|
Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(F)c2c(=O)n1Cc1ccc(cc1)C(=O)NO |r|
Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(F)c2c(=O)n1Cc1ccc(s1)C(=O)NO |r|
Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1Cc1ccc(cc1)C(=O)NO |r|
Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1Cc1ccc(s1)C(=O)NO |r|
Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1Cc1cc(no1)C(=O)NO |r|
Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(F)c2c(=O)n1-c1ccccc1)OC(=O)NCc1ccc(cc1)C(=O)NO |r|
Nc1nc(N)c(C#N)c(n1)N1C[C@@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)OC(=O)NCc1ccc(cc1)C(=O)NO |r|
Nc1nc(N)c(C#N)c(n1)N1C[C@H](C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1)OC(=O)NCc1ccc(cc1)C(=O)NO |r|
Cn1c(nc2cccc(Cl)c2c1=O)[C@@H]1C[C@H](CN1c1nc(N)nc(N)c1C#N)OCc1ccc(cc1)C(=O)NO |r|
Cn1c(nc2cccc(Cl)c2c1=O)[C@@H]1C[C@H](CN1c1nc(N)nc(N)c1C#N)OCc1ccc(s1)C(=O)NO |r|
Cn1c(nc2cccc(Cl)c2c1=O)[C@@H]1C[C@H](CN1c1nc(N)nc(N)c1C#N)OC(=O)NCc1ccc(cc1)C(=O)NO |r|
CN(Cc1ccc(cc1)C(=O)NO)C(=O)O[C@@H]1C[C@H](N(C1)c1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C |r|
Cn1c(nc2cccc(Cl)c2c1=O)[C@@H]1C[C@H](CN1c1nc(N)nc(N)c1C#N)OC(=O)NCCc1ccc(cc1)C(=O)NO |r|
Cn1c(nc2cccc(Cl)c2c1=O)[C@@H]1C[C@H](CN1c1nc(N)nc(N)c1C#N)OC(=O)NCc1ccc(s1)C(=O)NO |r|
CO[C@@H](C)Cn1c2c(cnc3ccc(cc23)-c2cncc(c2)C(C)(C)O)n(C)c1=O |r|
Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3ccc(nc3)OC)C4CCC(CC4)OCCO
[H][C@]1(CSCN1c1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccnn1C |r,wU:1.0,(2.09,2.1,;2.09,.56,;3.42,1.33,;4.58,.27,;3.96,-1.1,;2.42,-.93,;1.33,-2.02,;-.16,-1.62,;-1.24,-2.71,;-.84,-4.19,;.64,-4.59,;1.35,-5.95,;2.87,-5.72,;3.12,-4.24,;1.73,-3.51,;.75,1.33,;-.57,.56,;-1.91,1.33,;-3.24,.56,;-4.58,1.32,;-4.58,2.87,;-3.24,3.64,;-3.24,5.18,;-1.91,2.87,;-.58,3.64,;-.58,5.18,;.75,2.87,;2.08,3.64,;3.55,3.18,;4.46,4.42,;3.59,5.64,;2.08,5.18,;.75,5.95,)|
[H][C@]1(CSCN1c1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccnn1C |r,wU:1.0,(2.02,2.17,;2.02,.63,;3.36,1.4,;4.51,.33,;3.89,-1.04,;2.36,-.86,;1.27,-1.95,;-.23,-1.55,;-1.31,-2.65,;-.91,-4.13,;.58,-4.53,;.98,-6.01,;1.67,-3.44,;3.15,-3.84,;4.64,-4.24,;.69,1.4,;-.64,.62,;-1.98,1.4,;-3.3,.63,;-4.64,1.39,;-4.64,2.94,;-3.31,3.7,;-3.31,5.24,;-1.98,2.94,;-.65,3.7,;-.65,5.24,;.69,2.93,;2.02,3.7,;3.48,3.24,;4.4,4.49,;3.52,5.71,;2.02,5.24,;.69,6.01,)|
CN1CCN(C)\C(C1)=N\c1ccc(cc1C(=O)Nc1ccccc1)[N+]([O-])=O
[H][C@]1(CSCN1c1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccs1 |r|
COc1ccc(cc1OC)-c1ccc2nc(C)c(-c3cnc(N)c(c3)C(F)(F)F)n2n1
Nc1ncnc2n(CCNc3ccccc3)nc(-c3cc(O)cc(F)c3)c12
Nc1ncnc2n(CCN(Cc3ccc(Cl)cc3)C(=O)C=C)nc(-c3cc(O)c(Br)c(F)c3)c12
Nc1ncnc2n(nc(-c3cc(O)c(Br)c(F)c3)c12)C1CCc2ccccc2C1
Nc1ncnc2n(nc(-c3cc(O)c(Br)c(F)c3)c12)[C@H]1CCc2ccccc12 |r|
Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CN(c1cc(cnc1Cl)-c1ccc(N)nc1)S(=O)(=O)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc(N)nc1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc(N)nc1
Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Nc1ccc(cn1)-c1cnc(Cl)c(N)c1
Nc1ccc(cn1)-c1ccc(Cl)nc1
Nc1ccc(cn1)-c1cnc(Cl)c(F)c1
Nc1ccc(cn1)-c1cnc(Cl)c(c1)C#N
Nc1ccc(cn1)-c1cnc(Cl)c(c1)C(F)(F)F
Nc1cncc(c1)-c1ccc(N)nc1
Nc1ccc(cn1)-c1cnc(N)c(N)c1
Nc1ccc(cn1)-c1cnc(F)c(N)c1
Nc1ccc(cn1)-c1cnc(C#N)c(N)c1
Cc1ncc(cc1N)-c1ccc(N)nc1
COc1ncc(cc1N)-c1ccc(N)nc1
CCOc1ncc(cc1N)-c1ccc(N)nc1
CC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CCC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CCCC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CCNC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
COCCNC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cncnc2)cn1
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(c(F)cc3n2)-c2cnc(C)nc2)cn1
CC(C)Nc1nc(Nc2cnn(c2)C2CC3(C2)CN(C)C3)nc2cc(F)c(nc12)-c1cnc(C)nc1
Cn1c2ccc3ccc4ccc(n(C)c1=O)c2c34
OCCn1cnc2c(nc(nc12)N1CCOCC1)-c1cn[nH]c1
CS(=O)(=O)N1CCN(CCn2cnc3c(nc(nc23)N2CCOCC2)-n2c(nc3ccccc23)C(F)F)CC1 |(31.81,-23.04,;31.33,-21.57,;31.73,-20.07,;32.82,-21.16,;29.83,-21.26,;28.8,-22.4,;27.3,-22.09,;26.82,-20.62,;25.31,-20.31,;24.29,-21.46,;22.78,-21.15,;22.15,-19.74,;20.61,-19.91,;20.3,-21.42,;18.97,-22.19,;18.96,-23.73,;20.3,-24.5,;21.64,-23.73,;21.64,-22.19,;20.3,-26.04,;18.97,-26.81,;18.96,-28.34,;20.29,-29.12,;21.63,-28.35,;21.64,-26.81,;17.63,-21.41,;17.47,-19.88,;15.96,-19.56,;15.2,-20.89,;13.69,-21.21,;13.22,-22.68,;14.26,-23.82,;15.76,-23.5,;16.23,-22.04,;18.62,-18.85,;20.08,-19.33,;18.29,-17.34,;27.84,-19.47,;29.35,-19.79,)|
CC(C)n1nc2ncnc(N)c2c1C1C=c2cc(O)ccc2=N1 |c:24,t:16|
COc1ccc(cc1)C#Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12
CCn1c2cc(C(=O)NCc3cccnc3)c(N)cc2n2nccc2c1=O
CCn1c2cc(C(=O)NCc3cncnc3)c(N)cc2n2nccc2c1=O
CCn1c2cc(C(=O)NCc3cccnc3)c(NC)cc2n2nccc2c1=O
CCn1c2cc(C(=O)NCc3cccnc3)c(cc2n2nccc2c1=O)N(C)C
CCn1c2cc(C(=O)NCc3cncnc3)c(NC(C)=O)cc2n2nccc2c1=O
Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CCC1COC2)C1CCOCC1
C[C@H]1COCCN1c1cc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1ccccn1 |r|
C[C@H]1COCCN1c1cc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cscn1 |r|
COc1ccc(cc1)C(=O)NNC(=O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1
O=C1NC(=O)\C(S1)=C\c1ccc2nccc(-c3ccncc3)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(-c3nnc(CCN4CCN(C)CC4)o3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(-c3cn(CCCN4CCOCC4)nn3)n2n1
CC(C)Oc1ccc(cc1F)-c1nn(C(C)c2nn(-c3cccc(c3)S(C)(=O)=O)c3cc(Cl)ccc23)c2ncnc(N)c12
COc1ccc(cc1F)-c1nn([C@@H](C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12 |r|
COc1ccc(cc1F)-c1nn([C@H](C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12 |r|
COc1ccc(cc1F)-c1nn(C(C)c2nn(-c3cccc(c3)S(C)(=O)=O)c3cc(Cl)ccc23)c2ncnc(N)c12
CCOc1ccc(cc1F)-c1nn(C(C)c2nn(-c3cccc(c3)S(C)(=O)=O)c3cc(Cl)ccc23)c2ncnc(N)c12
COc1ccc(cc1OC)-c1nn(C(C)c2nn(-c3cccc(c3)S(C)(=O)=O)c3cc(Cl)ccc23)c2ncnc(N)c12
COc1ccc(cn1)-c1nn(C(C)c2nn(-c3cccc(c3)S(C)(=O)=O)c3cc(Cl)ccc23)c2ncnc(N)c12
COc1ncc(cn1)-c1nn(C(C)c2nn(-c3cccc(c3)S(C)(=O)=O)c3cc(Cl)ccc23)c2ncnc(N)c12
CC(c1nn(-c2cccc(c2)S(C)(=O)=O)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc12
CCC(c1nn(-c2cccc(c2)S(C)(=O)=O)c2cc(Cl)ccc12)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccccc2)c2c(N)ncnc12
COc1ccc(cc1F)-c1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc12
COc1ccc(cc1)-c1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12
COc1ccc(cc1C)-c1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
COc1ccc(cc1OC)-c1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccc3OCOc3c2)c2c(N)ncnc12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccc3OCCOc3c2)c2c(N)ncnc12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cccc(c2)C#N)c2c(N)ncnc12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cccc(c2)C(N)=O)c2c(N)ncnc12
CNC(=O)c1ccc(cc1)-c1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12
COc1ccc(cn1)-c1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12
COc1ncc(cn1)-c1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccoc2)c2c(N)ncnc12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccsc2)c2c(N)ncnc12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12
CCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc12
COc1cc(COC(=O)n2ncc3cc(cnc23)-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c(cc1OC)[N+]([O-])=O
Cc1nc(NC(=O)N2C[C@@H](C[C@H]2C(N)=O)NC(=O)c2ccc(cn2)C(=O)NO)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r|
Cc1nc(NC(=O)N2C[C@@H](C[C@H]2C(N)=O)NS(=O)(=O)Cc2ccc(cc2)C(=O)NO)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)C(=S)SCC(=O)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(cc(n1)N1CCN(CC1)C(=S)SCC(=O)N(C)C)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(cc(n1)N1CCN(CC1)C(=S)SCC(=O)N1CCOCC1)N1CCOCC1
Clc1ccc(cc1)-c1nc(N\N=C\c2cccc(Cl)c2)nc(N2CCOCC2)c1C#N
Oc1cccc(\C=N\Nc2nc(N3CCOCC3)c(C#N)c(n2)-c2ccc(Cl)cc2)c1
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(C#N)ncn2c1N1CCS(=O)(=O)C(C)C1
Cc1nc(N)c2ncc(-c3cc(C(C)(O)CC(F)(F)F)ccc3C)n2n1
Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)ccc1-c1cnc(N)c(C(=O)C2CC2)n1
Cc1ncc(-c2cc(-c3ccc(S(=O)(=O)NCC(C)(C)O)cc3C)cnc2N)o1
Cc1cc(C(O)(CO)C(F)F)ccc1-c1cnc(N)c(C(=O)N2CC[C@H](CO)C2)n1
COc1ccc(nn1)[C@@H](O)c1cc(c(F)cc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 |r|
COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCCC2)c(C)c1
COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCOCC2)c(C)c1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2cccnc12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2ccncc12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2cnccc12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2ncccc12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2cc(Cl)cnc12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2ncc(Cl)cc12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2nc(Cl)ccc12
C[C@H](Nc1ncnc2[nH]cnc12)c1cn(-c2cccnc2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc2[nH]cnc12)c1cn(-c2cccnc2)c2nccc(Cl)c12
C[C@H](Nc1ncnc(N)c1C#N)c1cn(-c2cccnc2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2ccncc2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2ccccn2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccc(S(C)(=O)=O)c2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccc(O)c2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2ccc(O)cc2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccc(F)c2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cc(F)cc(F)c2)c2nccc(Cl)c12
Cc1cccc(-n2cc([C@H](C)Nc3nc(N)nc(N)c3C#N)c3c(Cl)ccnc32)c1
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cn[nH]c2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cnn(C)c2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cc[nH]n2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2ccsc2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccs2)c2nccc(Cl)c12
C[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(Cc2ccccn2)c2nccc(Cl)c12
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2nccc(Cl)c12
N#Cc1c(N)nc(N)nc1N[C@H](c1cn(-c2cccnc2)c2nccc(Cl)c12)C1CC1
CC(Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2cc(Cl)cnc12
C[C@@H](Nc1nc(N)nc(N)c1C#N)c1cn(-c2cccnc2)c2cc(Cl)cnc12
COc1ncc(-c2cc3c(c(OCCN4CCC(C(C)(C)O)CC4)c2)COC3)cc1OC(C)=O
COc1ncc(-c2cc3c(c(OCCN4CCC(C(C)(C)O)CC4)c2)COC3)cc1OC(=O)C(C)C
COc1ncc(-c2cc3c(c(OCCN4CCC(C(C)(C)O)CC4)c2)COC3)cc1OC(=O)C1CCSCC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)c(C#N)c(-c3cccs3)cc12
COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=N/c1ccccc1F
COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1/N=Nc1ccccc1F
COc1ncc(-c2cc(OCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
COc1ncc(-c2cc(OCCCc3ccc(C(=O)Nc4ccccc4N)cc3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
Cc1nn(C(C)c2nn(-c3cccnc3)c3ccccc23)c2ncnc(N)c12
Cc1ccc2c(C(C)n3nc(C)c4c(N)ncnc43)nn(-c3cccnc3)c2c1
Cc1nn(C(C)c2nn(-c3cccnc3)c3cc(F)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12
COc1ccc2c(C(C)n3nc(C)c4c(N)ncnc43)nn(-c3cccnc3)c2c1
Cc1nn(C(C)c2nn(-c3cccnc3)c3cc(C#N)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3cccnc3)c3ccc(Cl)cc23)c2ncnc(N)c12
CCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(C)c2c(N)ncnc21
Cc1nn(C(c2nn(-c3cccnc3)c3cc(Cl)ccc23)C(C)C)c2ncnc(N)c12
Cc1nn(C(c2nn(-c3cccnc3)c3cc(Cl)ccc23)C2CC2)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3ccccc3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1cccc(-n2nc(C(C)n3nc(C)c4c(N)ncnc43)c3ccc(Cl)cc32)c1
Cc1nn(C(C)c2nn(-c3cccc(F)c3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3cc(F)cc(F)c3)c3cc(Cl)ccc23)c2ncnc(N)c12
COc1cccc(-n2nc(C(C)n3nc(C)c4c(N)ncnc43)c3ccc(Cl)cc32)c1
Cc1nn(C(C)c2nn(-c3cccc(O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3cccc(C#N)c3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3cccc(C(N)=O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12
CNC(=O)c1cccc(-n2nc(C(C)n3nc(C)c4c(N)ncnc43)c3ccc(Cl)cc32)c1
Cc1nn(C(C)c2nn(-c3cccc(S(C)(=O)=O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3cccc(NS(C)(=O)=O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3ccc(C(N)=O)cc3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3ccc(S(C)(=O)=O)cc3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3ccc4c(c3)OCCO4)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3ccccn3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3ccncc3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3cncnc3)c3cc(Cl)ccc23)c2ncnc(N)c12
COc1ccc(-n2nc(C(C)n3nc(C)c4c(N)ncnc43)c3ccc(Cl)cc32)cn1
COc1ncc(-n2nc(C(C)n3nc(C)c4c(N)ncnc43)c3ccc(Cl)cc32)cc1C(F)(F)F
Cc1nn(C(C)c2nn(-c3ccc4cccnc4c3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(Cc3ccccn3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3ccsc3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn(C(C)c2nn(-c3ccc4ccn(C)c4c3)c3cc(Cl)ccc23)c2ncnc(N)c12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1ncc2c(N)ncnc21
CCc1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nc(N)c2c(C)nn(C(C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c2n1
Cc1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2nc(N)nc(N)c12
CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1cnc2c(N)ncnc21
Cc1nn(C(C)c2nn(-c3cccnc3)c3cc(Cl)ccc23)c2nc[nH]c(=O)c12
CCc1nn(C(C)c2nn(-c3ccncc3)c3cc(Cl)ccc23)c2ncnc(N)c12
CCc1nn(C(C)c2nn(-c3cccc(S(C)(=O)=O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12
CCc1nn(C(C)c2nn(-c3ccc(S(C)(=O)=O)cc3)c3cc(Cl)ccc23)c2ncnc(N)c12
CCc1nn(C(C)c2nn(-c3cccc(C(N)=O)c3)c3cc(Cl)ccc23)c2ncnc(N)c12
CCc1nn(C(C)c2nn(-c3ccc(C(N)=O)cc3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn([C@@H](C)c2nn(-c3ccncc3)c3cc(Cl)ccc23)c2ncnc(N)c12
Cc1nn([C@H](C)c2nn(-c3ccncc3)c3cc(Cl)ccc23)c2ncnc(N)c12
O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)Nc1ccc2c(c1)COC2=O
O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)Nc1ccc2c(c1)CNC2=O
C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc4c(c3)COC4=O)cc2)nc(N2CCOCC2)n1
O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCO[C@@H](CO)C3)n2)cc1)Nc1ccc2c(c1)COC2=O
O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCO[C@H](CO)C3)n2)cc1)Nc1ccc2c(c1)COC2=O
O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1)Nc1ccc2c(c1)COC2=O
O=C(Nc1ccc(-c2nc(N3C4CCC3COC4)nc(N3C4CCC3COC4)n2)cc1)Nc1ccc2c(c1)COC2=O
C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3cc[nH]n3)cc1-2)C(N)=O
C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3ncnn3C)cc1-2)C(N)=O
C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3ccncc3)cc1-2)C(N)=O
C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3ccncn3)cc1-2)C(N)=O
C[C@H](Oc1ccc2c(c1)OCc1ccc(-c3ncccn3)cc1-2)C(N)=O
COc1cc2ncnc(-n3cc(-c4ccccn4)nc3N)c2cc1OC
Cn1c(=O)n(C(C)(C)C#N)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
COc1cc(-c2ccn3nc(N)c(-c4cnn(C)c4)c3n2)cnc1OC
CCn1cc(-c2c(N)nn3ccc(-c4cnc(OC)c(OC)c4)nc23)cn1
COc1cc(-c2ccn3nc(N)c(-c4cnn(C(C)C)c4)c3n2)cnc1OC
COc1cc(-c2ccn3nc(N)c(-c4cn(C)nc4C)c3n2)cnc1OC
COc1cc(-c2ccn3nc(N)c(-c4cnn(C(F)F)c4)c3n2)cnc1OC
COc1cc(-c2ccn3nc(N)c(-c4cnn(CC(F)F)c4)c3n2)cnc1OC
COCCn1cc(-c2c(N)nn3ccc(-c4cnc(OC)c(OC)c4)nc23)cn1
COc1cc(-c2ccn3nc(N)c(-c4cncs4)c3n2)cnc1OC
COc1cc(-c2ccn3nc(N)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(NC(=O)NCCOc4ccccc4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(NC(=O)NCCOCC4CC4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(NC(=O)NCCN4CCOCC4)cc3n2)cnc1OC
COc1cc(-c2ccc3nc(NC(=O)NCCOc4cccnc4)cn3n2)cnc1OC
COc1cc(-c2ccc3[nH]c(NC(=O)NCCOc4cccnc4)nc3c2)cnc1OC
COc1cc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cnc1OC
CCOc1cc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cnc1OC
COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1OC(C)C
COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1F
COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1C(F)(F)F
COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1OC(F)F
COc1ncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1NS(C)(=O)=O
Cc1cncc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)c1
O=C(NCCOc1cccnc1)Nc1cc2cc(-c3cncc(F)c3)ccn2n1
O=C(NCCOc1cccnc1)Nc1cc2cc(-c3cncc(OC(F)F)c3)ccn2n1
COc1ccc(-c2ccn3nc(NC(=O)NCCOc4cccnc4)cc3c2)cc1OC
ONC(=O)c1ccc(\C=N\NC(=O)c2cc(nc(n2)-c2cccc(O)c2)N2CCOCC2)cc1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccccc3)c2c1
O=[N+]([O-])c1cccc(-c2n[nH]c3ncc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)c1
Nc1cccc(-c2n[nH]c3ncc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)c1
CN(C)c1cccc(-c2n[nH]c3ncc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)c1
CN1CCN(Cc2cccc(-c3n[nH]c4ncc(-c5cnc(Cl)c(NS(=O)(=O)c6ccccc6)c5)cc34)c2)CC1
O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4cccc(CN5CCOCC5)c4)c3c2)cnc1Cl)c1ccccc1
O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccc(CN5CCOCC5)cc4)c3c2)cnc1Cl)c1ccccc1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccncc3)c2c1
O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccc(N5CCCC5)nc4)c3c2)cnc1Cl)c1ccccc1
O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccc(N5CCCCC5)nc4)c3c2)cnc1Cl)c1ccccc1
O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccc(N5CCOCC5)nc4)c3c2)cnc1Cl)c1ccccc1
O=S(=O)(Nc1cc(-c2cnc3[nH]nc(-c4ccncc4)c3c2)cnc1Cl)c1ccc(F)cc1
O=S(=O)(Nc1cc(-c2cnc3[nH]cc(-c4ccc(N5CCOCC5)nc4)c3c2)cnc1Cl)c1ccccc1
O=S(=O)(Nc1cc(-c2cnc3[nH]cc(-c4cnn(CCN5CCOCC5)c4)c3c2)cnc1Cl)c1ccccc1
C[C@H](NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)C(N)=O
Nc1nc2cc(-c3ccc4ncc(N5C[C@@H]6OCCO[C@@H]6C5)nc4c3)ccc2o1
COc1cc(-c2ccn3nc(Nc4ccccn4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccnc4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4ccncc4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(N)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CN)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(C)=O)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(Cn5cnc(C)c5)n4)cc3n2)cnc1OC
CCc1nccn1Cc1cccc(Nc2cc3nc(-c4cnc(OC)c(OC)c4)ccn3n2)n1
COc1cc(-c2ccn3nc(Nc4cccc(CN5CCN(C)C5=O)n4)cc3n2)cnc1OC
CCC(=O)NCc1cccc(Nc2cc3nc(-c4cnc(OC)c(OC)c4)ccn3n2)n1
COCC(=O)NCc1cccc(Nc2cc3nc(-c4cnc(OC)c(OC)c4)ccn3n2)n1
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)C5CC5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)C5CCCC5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)C5CCCCC5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)C(F)F)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)CC(F)F)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccccc5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccccn5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccoc5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccco5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5cn(C)cn5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccc(OC(C)C)cc5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccc(OC(F)(F)F)cc5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccc(C(F)(F)F)cc5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)CCc5ccccc5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccccc5F)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5cccc(F)c5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5ccc(F)cc5)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5c(F)cccc5F)n4)cc3n2)cnc1OC
COc1cc(OC)cc(C(=O)NCc2cccc(Nc3cc4nc(-c5cnc(OC)c(OC)c5)ccn4n3)n2)c1
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5cccc6c5OCO6)n4)cc3n2)cnc1OC
COc1cc(-c2ccn3nc(Nc4cccc(CNC(=O)c5cccc6c5OCCO6)n4)cc3n2)cnc1OC
COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCCCCCC(=O)Nc4ccccc4N)cc3)cc2)nc(N2CCOCC2)n1
COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1
C=CCN(/C=C1/C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12)CC=C
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccnc(Cl)c2)n1