smile	binding.affinity
[H]N([H])C1=C([H])C([H])=C(SC([H])([H])[C@]2([H])O[C@@](OC2([H])[H])(C([H])([H])N2C([H])=NC([H])=C2[H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])=C1[H]	25
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H])C([H])([H])OC([H])([H])[H]	31
[H]OC([H])([H])C1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H]	614
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H])C([H])([H])C(=O)OC([H])([H])[H]	199
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H])C(=O)C([H])([H])[H]	255
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H])C(=O)OC([H])([H])[H]	15
[H]C1=NC([H])=C2N1[C@]([H])(C1=C([H])C([H])=C(C#N)C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H]	10
[H]C1=NC([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])[C@]1([H])C([H])([H])[H]	64
[H]C1=NC([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1C([H])([H])[H]	843
[H]C1=NC([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H]	67
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	151
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[H]	10
[H]O[C@]([H])(C1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H])C([H])([H])[H]	99
[H]C1=C([H])C(=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H])C([H])([H])OC([H])([H])[H]	435
[H]OC([H])([H])C1=C(C([H])=NC([H])=C1[H])C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H]	1760
[H]C1=NC([H])=C(C([H])=C1[H])C1=C([H])C2=C([H])C([H])=C(C#N)C([H])=C2C([H])=C1[H]	691
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H]	9639
[H]C1=NC([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	735
[H]C1=NC([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	785
[H]C1=NC([H])=C(C([H])=C1[H])C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H]	5826
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1C([H])([H])[H]	1047
[H]C1=NC([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H]	373
[H]C1=NC([H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])[C@]1([H])C([H])([H])[H]	100
[H]C1=NC([H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1C([H])([H])[H]	875
[H]C1=NC([H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H]	238
[H]OC1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H]	8925
[H]N([H])C1=C(C([H])=NC([H])=C1[H])C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H]	1521
[H]C1=C([H])C(=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C(C#N)C([H])=C2C([H])=C1[H])C([H])([H])[H]	52
[H]C1=C([H])C(=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H])C([H])([H])[H]	114
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C(C#N)C([H])=C2C([H])([H])C1([H])[H]	461
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])[C@@]1([H])C([H])([H])[H]	248
[H]C1=NC([H])=C(C([H])=C1[H])C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	578
[H]C1=NC([H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2936
[H]C1=NC([H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2452
[H]C1=NC([H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	1811
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	4329
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C(OC(F)(F)F)C([H])=C1[H]	3559
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	1956
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2804
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	640
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	953
[H]C1=C([H])N(C([H])=N1)[C@@]([H])(C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C1=C([H])OC2=C([H])C([H])=C([H])C([H])=C2C1=O	152
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C(OC2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C2C1=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	79
[H]C1=NC([H])=C(C([H])=C1[H])C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C([H])=C1[H]	1577
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C(OC2=C(C([H])=C([H])C([H])=C2[H])C1=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	7
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C(OC2=C([H])C([H])=C([H])C([H])=C2C1=O)C1=C([H])C([H])=C(Br)C([H])=C1[H]	27
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C(OC2=C(C([H])=C([H])C([H])=C2[H])C1=O)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	187
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C(OC2=C(C([H])=C([H])C([H])=C2[H])C1=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	12
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	1977
[H]O[C@]1([H])C([H])([H])C2=C(C([H])=C(C([H])=C2[H])C2=C([H])C([H])=C([H])N=C2[H])C([H])([H])C1([H])[H]	4921
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1[H])C([H])([H])[C@@]([H])(OC([H])([H])[H])C([H])([H])C2([H])[H]	1145
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1[H])C([H])([H])[C@@]([H])(OC([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H]	4371
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1[H])C([H])([H])[C@@]([H])(C#N)C([H])([H])C2([H])[H]	745
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1[H])C([H])=C(C#N)C([H])([H])C2([H])[H]	290
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C([H])([H])O2	5970
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C(=O)C([H])([H])C2([H])[H]	3964
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1[H])C(=O)C([H])([H])C2([H])[H]	819
[H]C1=NC([H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C(=O)C([H])([H])C2([H])[H]	191
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C([H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	6746
[H]C1=NC([H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C2=C(C([H])=C1[H])N(C(=O)C([H])([H])C2([H])[H])C([H])([H])[H]	87
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C([H])C(=C2[H])C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])N=C1[H]	33
[H]C1=NC([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C1=C([H])C2=C(C([H])=C1[H])N(C(=O)C([H])([H])C2([H])[H])C([H])([H])[H]	6.9
[H]N1C(=S)C([H])([H])C([H])([H])C2=C1C([H])=C([H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	580
[H]N1C(=S)C([H])([H])C([H])([H])C2=C1C(Cl)=C([H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	769
[H]N1C(=O)C([H])([H])SC2=C1C([H])=C([H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	525
[H]N1C(=O)C([H])([H])C2=C1C([H])=C([H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	5952
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1[H])N(C(=O)C([H])([H])C2([H])[H])C([H])([H])[H]	742
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1[H])N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])[H]	5177
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C(Cl)=C([H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	1671
ON(=O)C1=CC(=CC2=C1NC(=O)CC2)C1=CC=CN=C1	5402
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C([H])C(=C2[H])C1=C([H])C(OC([H])([H])[H])=C([H])N=C1[H]	339
[H]OC1=C([H])C([H])=C([H])C(=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	342
[H]OC1=C([H])C([H])=C([H])C(=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=C(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=NC([H])=C1[H]	3100
[H]OC1=C(F)C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	600.5
[H]OC1=C(F)C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=C(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=NC([H])=C1[H]	2000
[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	1400
[H]N([H])C1=C([H])C([H])=C([H])C(=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	287
[H]N([H])C1=C([H])C([H])=C([H])C(=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=C(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=NC([H])=C1[H]	7300
[H]N([H])C1=C(N([H])[H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=C(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=NC([H])=C1[H]	7180
[H]OC1=C([H])C([H])=C2C([H])=C(C([H])=C([H])C2=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=C(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=NC([H])=C1[H]	5060
[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])=C(C5=C([H])N=C([H])C([H])=C5[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]	1609
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H]	6.2
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	27
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	130
[H]C1=NC([H])=C(N1[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C(=O)OC([H])([H])C([H])([H])[H]	0.5
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1F	20
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]	5.7
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C([H])C(F)=C1[H]	32
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	369
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	368
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H]	494
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	570
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(Br)C([H])=C1[H]	211
[H]OC([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])=NC([H])=C1[H]	695
[H]N([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])N1C([H])=NC([H])=C1[H]	390
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H]	326
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H]	31
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H]	104
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H]	123
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(Br)C([H])=C1[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H]	57
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H]	111
[H]OC([H])([H])C([H])([H])C([H])([H])C1=C([H])N=C([H])N1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	181
[H]OC([H])([H])C([H])([H])C([H])([H])C1=C([H])N=C([H])N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	48
[H]OC([H])([H])C([H])([H])C([H])([H])C1=C([H])N=C([H])N1C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H]	116
[H]OC([H])([H])C([H])([H])C([H])([H])C1=C([H])N=C([H])N1C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	44
[H]OC([H])([H])C([H])([H])C([H])([H])C1=C([H])N=C([H])N1C([H])([H])C1=C([H])C([H])=C(Br)C([H])=C1[H]	18
[H]OC([H])([H])C([H])([H])C([H])([H])C1=C([H])N=C([H])N1C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	12
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	4.8
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	28
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	16
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	25
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(Br)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	7
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	11
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C([H])([H])OC(=O)OC([H])([H])[H]	213
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C(=O)OC([H])([H])[H]	48
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C([H])([H])[H]	141
[H]C1=NC([H])=C(Br)N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	73
[H]C(=O)C1=C([H])N=C([H])N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	478
[H]OC([H])([H])C1=C([H])N=C([H])N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	285
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])=NC([H])=C1[H]	236
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])C(C#N)=C1[H]	1000
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])C(F)=C1[H]	206
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	151
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])C(Br)=C1[H]	143
[H]OC([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])N1C([H])=NC([H])=C1[H]	206
[H]C1=NC([H])=C(N1C([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=NC([H])=C1[H]	307
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])[C@]([H])(O[H])C1=C([H])C([H])=NC([H])=C1[H]	251
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	522
[H]N([H])C1=C(N([H])[H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	702
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	307
[H]C1=NC([H])=C([H])C(=C1[H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(F)=C([H])C([H])=C1[H]	928
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H])C2([H])[H]	26.1
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C2([H])[H]	50.2
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C2([H])[H]	103
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C([H])([H])C1=C([H])C([H])=C(OC(F)(F)F)C([H])=C1[H])C2([H])[H]	544
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C2([H])[H]	566
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C2([H])[H])C1([H])C([H])([H])C1([H])[H]	930
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C([H])([H])C1([H])C([H])([H])C1([H])[H])C2([H])[H]	122
[H]C1=NC([H])=C2N1[C@]([H])(C(=O)N(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C2([H])[H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	2
[H]C1=C([H])C([H])=C(S1)C([H])([H])N1C([H])([H])C2=C([H])N=C([H])N2[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S1(=O)=O	55.7
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C2([H])[H])C1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	119
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C2([H])[H])[C@]([H])(C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])[H]	140
[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]1([H])N2C([H])=NC([H])=C2C([H])([H])N([C@]([H])(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[H])S1(=O)=O	471
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C1(C([H])([H])[H])C([H])([H])OC1([H])[H])S(=O)(=O)N(C2([H])[H])[C@]([H])(C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])[H]	340
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C(OC([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C2([H])[H])[C@]([H])(C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])[H]	20.6
[H]C1=NC([H])=C2N1[C@]([H])(C([H])([H])OC([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C2([H])[H])[C@]([H])(C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])[H]	222
[H]C1=NC([H])=C2N1[C@@]([H])(C([H])([H])C1([H])C([H])([H])C1([H])[H])S(=O)(=O)N(C2([H])[H])[C@]([H])(C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])[H]	245
[H]O[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[C@]1([H])N2C([H])=NC([H])=C2C([H])([H])N([C@]([H])(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[H])S1(=O)=O	208
[H]C1=NC([H])=C([H])C(=C1[H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(F)=C(F)C([H])=C1[H]	4742
[H]C1=C([H])C(=C([H])S1)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	422
[H]C1=C([H])C([H])=C(S1)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	415
[H]N1C([H])=C([H])C2=C1C([H])=C([H])C(=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	469
[H]OC1=C([H])C([H])=C2C([H])=C(C([H])=C([H])C2=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	627
[H]N(C(=O)C1=C([H])C(F)=C(F)C([H])=C1[H])C1=C([H])C([H])=C([H])N=C1[H]	5920
[H]N(C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C([H])N=C1[H]	7500
[H]C1=NC([H])=C(C([H])=C1[H])C(C(=O)C1=C([H])C([H])=C([H])N=C1[H])(C([H])([H])[H])C([H])([H])[H]	15
[H]C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])C1=C([H])C(=C([H])C(=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1000
[H]C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])C1=C(C(=C(C(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	1000
[H]C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])C1=C(C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1000
[H]C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C(C1=C([H])C([H])=C([H])C([H])=C1[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1000
[H]C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])C(C1=C([H])C([H])=C([H])C([H])=C1[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1000
[H]C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])C([H])([H])C(C1=C([H])C([H])=C([H])C([H])=C1[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1000
[H]C1=C([H])N(C([H])=N1)C(C1=C([H])C([H])=C([H])C([H])=C1[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3
[H]C1=C([H])N(C([H])=N1)C([H])([H])C(C1=C([H])C([H])=C([H])C([H])=C1[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	4
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C(C(=C(C(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	5
[H]C1=C([H])N(C([H])=N1)C([H])([H])[C@]12C([H])([H])[C@@]3([H])C([H])([H])[C@]([H])(C([H])([H])[C@]([H])(C3([H])[H])C1([H])[H])C2([H])[H]	5
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C(C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	15
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C(=C([H])S1)C1=C([H])C([H])=C([H])C([H])=C1[H]	19
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C(C([H])=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	24
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C(=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])[H]	32
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	32
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(S1)C1=C([H])C([H])=C([H])C([H])=C1[H]	43
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	46
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(O1)C1=C([H])C([H])=C([H])C([H])=C1[H]	46
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H]	48
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	61
[H]C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])[C@]12C([H])([H])[C@@]3([H])C([H])([H])[C@]([H])(C([H])([H])[C@]([H])(C3([H])[H])C1([H])[H])C2([H])[H]	75
[H]C1=C([H])N(C([H])=N1)C([H])([H])C([H])([H])C(C1=C([H])C([H])=C([H])C([H])=C1[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	80
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C(=C([H])C(=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	128
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])N=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	152
[H]C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])C1=C([H])C(=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])[H]	188
[H]C1=NC2=C([H])C([H])=C([H])C([H])=C2N1C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H]	194
[H]C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	197
[H]C1=NC2=C([H])C([H])=C([H])C([H])=C2N1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	246
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	258
[H]C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	369
[H]C1=NC2=C([H])C([H])=C([H])C([H])=C2N1C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	500
[H]C1=NC2=C([H])C([H])=C([H])C([H])=C2N1C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	635
[H]C1=NC2=C([H])C([H])=C([H])C([H])=C2N1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]	779
[H]C1=NC2=C([H])C([H])=C([H])C([H])=C2N1C([H])([H])C1=C(C([H])=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	1000
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C(=O)OC2=C([H])C(OC([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C12	72
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C(=O)OC2=C([H])C(OC3=C([H])C(F)=C(F)C([H])=C3[H])=C([H])C([H])=C12	933
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	715
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C3=C1[H]	2296
[H]C1=NC([H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	247
[H]C1=NC([H])=C(OC([H])([H])[H])C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C3=C1[H]	545
[H]C1=NC([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	158
[H]C1=NC([H])=C(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	103
[H]OC1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	2045
[H]C1=NC([H])=C(F)C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	1288
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C(F)(F)F	141
[H]C1=C([H])C([H])=C2C(C([H])=NC([H])=C2C2=C([H])C3=C4N(C(=O)C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C4=C2[H])=C1[H]	13
[H]C1=NC([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C3=C1[H]	34
[H]C1=C([H])N(C([H])=N1)C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	2077
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	58
[H]C1=C([H])C([H])=C(C(F)=C1[H])C1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	43
[H]C1=C([H])C(F)=C([H])C(=C1[H])C1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	490
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	40
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C1=C([H])C(F)=C([H])C([H])=C1F	183
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C1=C([H])C([H])=C(F)C(F)=C1[H]	496
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C1=C([H])C(F)=C([H])C(F)=C1[H]	1748
[H]C1=C([H])C([H])=C(C(OC([H])([H])[H])=C1[H])C1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	128
[H]C1=C([H])C(OC([H])([H])[H])=C([H])C(=C1[H])C1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	1374
[H]C1=NC([H])=C(C([H])=C1C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	21
[H]OC1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	44
[H]C1=C([H])C(OC(F)(F)F)=C([H])C(=C1[H])C1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	2058
[H]C1=C([H])C(=C([H])C(=C1[H])C1=C([H])N=C([H])C(=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C(F)(F)F	4646
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C3N(C(=S)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	333
[H]C1=C([H])N(C([H])=N1)[C@]([H])(C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	70
[H]C1=C([H])N(C([H])=N1)[C@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	50
[H]C1=C([H])N(C([H])=N1)[C@]([H])(C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	40
[H]C1=C([H])N(C([H])=N1)[C@]([H])(C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C1=C([H])C([H])=C([H])C([H])=C1F	40
[H]C1=C([H])N(C([H])=N1)[C@@]([H])(C1=C([H])C([H])=C([H])C(F)=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	29
[H]C1=C([H])N(C([H])=N1)[C@@]([H])(C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	27
[H]C1=C([H])C([H])=C(O1)[C@]([H])(N1C([H])=NC([H])=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	20
[H]C([H])=C(N1C([H])=NC([H])=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	19
[H]C1=C([H])N(C([H])=N1)[C@@]([H])(C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C([H])([H])[H]	17
[H]C1=C([H])C([H])=C(S1)[C@@]([H])(N1C([H])=NC([H])=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	13
[H]C1=C([H])N(C([H])=N1)[C@]([H])(C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C1([H])C([H])([H])C1([H])[H]	2.2
[H]C1=C([H])N(C([H])=N1)[C@@]([H])(C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C([H])([H])C([H])([H])[H]	3.95
[H]C1=C([H])N(C([H])=N1)[C@]([H])(C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C1([H])C([H])([H])C([H])([H])C1([H])[H]	3.4
[H]C1=C([H])N(C([H])=N1)C(N1C([H])=NC([H])=C1[H])(C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H])C([H])([H])[H]	438
[H]C1=C([H])N(C([H])=N1)[C@]([H])(C1=C([H])C(C#N)=C([H])C([H])=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	144
[H]C1=C([H])N(C([H])=N1)[C@]([H])(C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H])C1=C([H])C2=C3N(C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C3=C1[H]	110
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C(=C([H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H])C1=C([H])SC([H])=C1[H]	4589
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C(=C([H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H])C1=C([H])C([H])=C([H])N=C1[H]	4087
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C(Br)=C([H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	1422
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])N(C(=O)C([H])([H])C2([H])[H])C([H])([H])[H]	139
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C(OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	44
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1OC1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])N(C(=O)C([H])([H])C2([H])[H])C([H])([H])[H]	1167
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C(OC1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	1077
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1OC([H])([H])C([H])([H])[H])N(C(=O)C([H])([H])C2([H])[H])C([H])([H])[H]	790
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C(OC([H])([H])C([H])([H])[H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	3737
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C([H])C2=C(C([H])=C1OC([H])([H])[H])N(C(=O)C([H])([H])C2([H])[H])C([H])([H])[H]	1098
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C(OC([H])([H])[H])C(=C2[H])C1=C([H])C([H])=C([H])N=C1[H]	2867
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])C(C#N)=C([H])C([H])=C1[H]	409
[H]C1=C([H])C([H])=C(S1)C1=C(Cl)N=C([H])C(=C1[H])C([H])([H])N1C([H])=NC([H])=C1[H]	73
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])N=C([H])C([H])=C1[H]	816
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])N=C1C#N	971
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(Br)N=C1[H]	500
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])N=C1Br	61
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C(Br)=C(Cl)N=C1[H]	168
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C(F)C([H])=C([H])C([H])=C1[H]	72
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])C(F)=C([H])C([H])=C1[H]	320
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])N=C(C([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	213
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])N=C(C([H])=C1[H])C1=C([H])C(F)=C(F)C([H])=C1[H]	329
[H]OC1=C(F)C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H]	17
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])N=C(C([H])=C1[H])C1=C(OC([H])([H])[H])C([H])=C([H])C([H])=C1[H]	167
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])N=C(C([H])=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	782
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])N=C(C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	1000
[H]N([H])C1=C(C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H]	101
[H]N([H])C1=C([H])C([H])=C([H])C(=C1[H])C1=NC([H])=C(C([H])=C1[H])C([H])([H])N1C([H])=NC([H])=C1[H]	110
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H]	106
[H]N([H])C1=C(C([H])=C([H])C(=C1[H])C1=C([H])C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H])C([H])([H])[H]	542
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	782
[H]C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H]	246
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	611
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=C1[H]	42
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C(=C(N=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	362
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])C([H])=C([H])N=C1[H]	502
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])C([H])=NC([H])=C1[H]	139
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])N=C([H])N=C1[H]	971
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])N=C1[H]	1000
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])N=C1[H]	95
[H]C1=C([H])C([H])=C(S1)C1=C([H])C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H]	75
[H]C1=C([H])C(=C([H])S1)C1=C([H])C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H]	126
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])C([H])=C(Cl)S1	362
[H]C(=O)C1=C([H])C([H])=C(S1)C1=C([H])C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H]	62
[H]C1=C([H])C([H])=C(S1)C1=NC([H])=C([H])C([H])=C1C([H])([H])N1C([H])=NC([H])=C1[H]	16
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])C2=C(S1)C([H])=C([H])C([H])=C2[H]	269
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])SC2=C1C([H])=C([H])C([H])=C2[H]	40
[H]C1=C([H])C([H])=C(O1)C1=C([H])C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H]	167
[H]C1=C([H])C(=C([H])O1)C1=C([H])C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H]	76
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(N=C1[H])C1=C([H])C2=C(O1)C([H])=C([H])C([H])=C2[H]	500
[H]C1=C([H])C([H])=C(O1)C1=C(C([H])=C(C([H])=N1)C([H])([H])N1C([H])=NC([H])=C1[H])C1=C([H])C([H])=C([H])O1	29
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	663
NC1=CC=C(CN2C=CN=C2)C2=C1OC1=CC=CC=C1C2=O	785
OC1=CC=C(CN2C=CN=C2)C2=C1OC1=CC=CC=C1C2=O	416
O=C1C2=CC=CC=C2OC2=C1C(CN1C=CN=C1)=CC=C2OC1CCCC1	268
O=C1C2=CC=CC=C2OC2=C1C(CN1C=CN=C1)=CC=C2OCC1CC1	14.75
CCC(C)OC1=CC=C(CN2C=CN=C2)C2=C1OC1=CC=CC=C1C2=O	13
CC(C)OC1=CC=C(CN2C=CN=C2)C2=C1OC1=CC=CC=C1C2=O	59
COC1=CC=C(CN2C=CN=C2)C2=C1OC1=CC=CC=C1C2=O	80
O=C1C2=CC=CC=C2OC2=C1C(CN1C=CN=C1)=CC=C2C1=CC=CC=C1	156
IC1=CC=C(CN2C=CN=C2)C2=C1OC1=CC=CC=C1C2=O	19
ClC1=CC=C(CN2C=CN=C2)C2=C1OC1=CC=CC=C1C2=O	0.5
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(C#N)C2=C1C(=O)C1=C([H])C([H])=C([H])C([H])=C1O2	13
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(Br)C2=C1C(=O)C1=C([H])C([H])=C([H])C([H])=C1O2	6.7
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C(C2=C1C(=O)C1=C([H])C([H])=C([H])C([H])=C1O2)[N+]([O-])=O	22
[H]C1=C([H])N(C([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])C2=C1C(=O)C1=C([H])C([H])=C([H])C([H])=C1O2	99
ClC1=CC(=CC=C1)C(C1=CN=CC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	36
CC1=CC(=CC=C1)C(C1=CN=CC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	42
COC1=CC=CC=C1C(C1=CN=CC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	2270
C=C(C1=CN=CC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	41
OC(C1=CN=CC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	750
CC1=NN=C2CCC3=C(N12)C(Cl)=CC(=C3)C1=CN=CC=C1C1CC1	6930
COC(C)(C)C1=CC(=CN=C1)C1=CC2=C(C=C1)N1C(C)=NN=C1CC2	108
CC1=NN=C2CCC3=C(C=CC(=C3)C3=CN=CC4=CC=CC=C34)N12	407
FC1=CC=C(CN2C=CN=C2)C=N1	72
[H]C1=C([H])N(C([H])=N1)C([H])([H])[C@]1(OC([H])([H])[C@]([H])(O1)C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H])C1=C(Cl)C([H])=C(Cl)C([H])=C1[H]	127
FC(F)(F)C1=CC(=CC(=C1)C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2)C(F)(F)F	5000
CC1=CC=CC(=C1)C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	780
ClC1=CC=C(C=C1)C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	92
ClC1=CC=CC(=C1)C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	646
FC1=CC=C(C=C1)C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	88
FC1=CC=CC(=C1)C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	532
COC1=CC=C(C=C1)C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	810
COC1=CC(=CC=C1)C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	2539
COC1=C(C=CC=C1)C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	276
OC(C1=CC=CC=C1)(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	546
O=C1CCC2=C3N1CCC3=CC(=C2)C(C1CCCCC1)C1=CC=NC=C1	5000
CC(C)C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	1420
C=C(C1=CC=NC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	1230
[H]C1=NN(C([H])=N1)C([H])(C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	2620
FC1=CC=C(C=C1)C(C1=CN=CC=C1)C1=CC2=C3N(CCC3=C1)C(=O)CC2	78