smile	binding.affinity
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	757
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(O[C@@]1([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H]	7
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC([H])([H])[H])=NC([H])=C2[H])[C@@]1([H])C([H])([H])OC([H])([H])C1([H])[H]	23
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC([H])([H])[H])=NC(=C2[H])C([H])([H])[H])C([H])([H])[H]	199
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])[C@@]([H])(O[C@]([H])(C([H])([H])[H])C2([H])[H])C([H])([H])[H])C(OC([H])([H])[H])=N1	25
[H]N(C1=NC([H])=C([H])C2=C1C(=NC2([H])[H])C([H])([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C1([H])[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	34
[H]C1=C([H])C2=C(C(=NC2([H])[H])C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])=N1	14
[H]N(C1=NC([H])=C([H])C2=C1C(=NC2([H])[H])C([H])([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])C1([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	17
[H]N(C1=NC([H])=C([H])C2=C1C(=NC2([H])[H])C1=C([H])C(=NC([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	27
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	6
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2([H])C([H])([H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])=N1	24
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2([H])C([H])([H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	35
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2([H])C([H])([H])C2([H])[H])C(O[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=N1	78
[H]C1=C([H])C2=C(C(=NC2([H])[H])C([H])([H])[H])C(O[C@@]2([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	158
[H]C1=C([H])C([H])=C(O1)C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	132
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	6
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])([H])C1([H])C([H])([H])C([H])([H])C1([H])[H]	55
[H]C1=C(C([H])=C(N1C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N(C([H])([H])[H])C([H])([H])[H])C1=NC([H])([H])C2=C([H])C([H])=NC(OC([H])(C([H])([H])[H])C([H])([H])[H])=C12	18
[H]C1=C(C([H])=C(N1C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=NC([H])([H])C2=C1C(OC([H])(C([H])([H])[H])C([H])([H])[H])=NC([H])=C2[H]	19
[H]N(C(=O)C1=C([H])C(=C([H])N1C([H])(C([H])([H])[H])C([H])([H])[H])C1=NC([H])([H])C2=C1C(OC([H])(C([H])([H])[H])C([H])([H])[H])=NC([H])=C2[H])C1([H])C([H])([H])OC1([H])[H]	24
[H]C1=C(C([H])=C(N1C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N(C([H])([H])[H])C([H])([H])[H])C1=NC([H])([H])C2=C1C(OC([H])([H])[H])=NC([H])=C2[H]	77
[H]N(C(=O)C1=C([H])C(=C([H])N1C([H])(C([H])([H])[H])C([H])([H])[H])C1=NC([H])([H])C2=C([H])C([H])=NC(OC([H])([H])[H])=C12)C1([H])C([H])([H])OC1([H])[H]	14
[H]C1=C(C([H])=C(N1C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	39
[H]C1=C(C([H])=C(N1C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N(C([H])([H])[H])C([H])([H])[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	45
[H]N(C(=O)C1=C([H])C(=C([H])N1C([H])(C([H])([H])[H])C([H])([H])[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C1([H])C([H])([H])OC1([H])[H]	3
[H]N1N=C(C2=C1C([H])=C([H])N=C2OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C([H])=NC(=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	221
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(OC([H])([H])C(F)(F)F)=N1	31
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC([H])([H])C(F)(F)F)=NC([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H]	26
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(O[C@]([H])(C([H])([H])[H])C(F)(F)F)=NC([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H]	13
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=NC(=NC([H])=C2[H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	65
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC([H])([H])[H])=NC([H])=C2[H])C1([H])C([H])([H])OC1([H])[H]	31
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC([H])([H])[H])=NC([H])=C2[H])C([H])([H])C(F)(F)F	25
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC([H])([H])[H])=NC([H])=C2[H])C([H])([H])C1(C([H])([H])[H])C([H])([H])OC1([H])[H]	108
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])([H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	11
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])([H])C(F)(F)F	6
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])[C@@]1([H])C([H])([H])OC([H])([H])C1([H])[H]	4
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC(=C2[H])C([H])([H])[H])C([H])([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	5
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(OC([H])([H])[H])=NC([H])=C2[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	22
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C(F)C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	46
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(OC([H])([H])[H])=NC([H])=C2[H])C(OC([H])([H])[H])=N1	80
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(OC([H])([H])[H])=N1	29
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])C(F)(F)F)C(OC([H])([H])[H])=N1	75
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(Cl)=C(C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(OC([H])([H])[H])=N1	209
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	3
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	6
[H]N(C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C1([H])C([H])([H])OC1([H])[H]	136
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	9
[H]C1=NN(C([H])=C1C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])([H])[H]	10
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2[C@@]3([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])OC3([H])[H])C(OC([H])([H])[H])=N1	80
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])[C@@]3([H])OC([H])([H])[C@]2([H])C3([H])[H])C(OC([H])([H])[H])=N1	51
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C(OC([H])([H])[H])=N1	26
[H]C1=NN(C([H])=C1C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC([H])([H])[H])=NC([H])=C2[H])C([H])([H])[H]	42
[H]C1=NC2=C(C([H])=C(C([H])=C2[H])C2=NC([H])([H])C3=C2C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=NC([H])=C3[H])N1C([H])(C([H])([H])[H])C([H])([H])[H]	20
[H]C1=NC2=C(C([H])=C([H])C(=C2[H])C2=NC([H])([H])C3=C2C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=NC([H])=C3[H])N1C1([H])C([H])([H])OC1([H])[H]	19
[H]C1=NC2=C(C([H])=C(C([H])=C2[H])C2=NC([H])([H])C3=C2C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=NC([H])=C3[H])N1C1([H])C([H])([H])OC1([H])[H]	56
[H]C1=NC2=C(C([H])=C(C([H])=C2[H])C2=NC([H])([H])C3=C2C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=NC([H])=C3[H])N1C([H])([H])[C@@]1([H])C([H])([H])C1(F)F	23
[H]C1=NC2=C(C([H])=C(C([H])=C2[H])C2=NC([H])([H])C3=C2C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=NC([H])=C3[H])N1[C@@]1([H])C([H])([H])OC([H])([H])C1([H])[H]	34
[H]C1=NC2=C(C([H])=C([H])C(=C2[H])C2=NC([H])([H])C3=C2C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=NC([H])=C3[H])N1[C@]1([H])C([H])([H])OC([H])([H])C1([H])[H]	10
[H]C1=C([H])C2=C(C(=NC2([H])[H])C#CC2=C(Cl)C([H])=C([H])C([H])=C2[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	5
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C([H])=C(C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	76
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(F)=C(C([H])=C2[H])C(=O)N(C([H])([H])[H])C([H])([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	104
[H]N1N=C([H])C2=C1C([H])=C(C([H])=C2[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	13
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	14
[H]C1=NN(C2=C1C([H])=C(C([H])=C2[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])([H])[H]	13
[H]C1=C2C([H])=C([H])C(=C([H])C2=NN1C([H])(C([H])([H])[H])C([H])([H])[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	32
[H]C1=NC2=C(C([H])=C([H])C(=C2[H])C2=NC([H])([H])C3=C2C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=NC([H])=C3[H])N1C([H])([H])[H]	36
[H]C1=NN(C([H])=C1C1=C([H])C([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])[C@@]1([H])C([H])([H])OC([H])([H])C1([H])[H]	5
[H]C1=C(N=C(OC2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C2=C1C([H])([H])N=C2C([H])([H])[H])C1([H])C([H])([H])C1([H])[H]	271
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C3=C(N=C2[H])C([H])=C([H])C([H])=C3[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	12
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=C([H])C([H])=C2[H])C([H])([H])C#N)C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	17
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=C([H])C([H])=C2[H])N(C([H])([H])[H])C([H])([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	50
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H]	78.4
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C1([H])C([H])([H])C1([H])[H]	27
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(C#N)=C([H])N=C2[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	172
[H]N1C([H])=C([H])C2=C(C([H])=C([H])C([H])=C12)C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	448
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=C([H])C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	107
[H]N(C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C1=C([H])C(OC([H])([H])[H])=NC([H])=C1[H]	40
[H]N(C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C1=C([H])C([H])=NC([H])=C1[H]	165
[H]N(C1=C([H])N(N=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	30
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=C([H])C([H])=C2[H])S(=O)(=O)C([H])([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	29
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=C([H])C([H])=C2[H])S(=O)(=O)C([H])([H])[H])C(OC([H])([H])[H])=N1	45
[H]N(C1=NC([H])=C([H])C2=C1C(=NC2([H])[H])C1=NN=C(N1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	7
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC(=C2[H])C([H])([H])[H])C([H])([H])[H]	154
[H]C1=C([H])C(=C([H])C(=N1)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC(=C2[H])C([H])([H])[H]	35
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C([H])=C(C([H])=C2[H])S(=O)(=O)C([H])([H])[H])C(OC([H])([H])[H])=N1	90
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])C#N)C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	130
[H]N(C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C1=C([H])C([H])=C([H])N(C1=O)C([H])([H])[H]	7
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(O[C@]([H])(C([H])([H])[H])C(F)(F)F)=N1	16
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(OC([H])([H])C([H])([H])OC([H])([H])[H])=N1	23
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(OC([H])([H])C([H])([H])N2C(=O)OC([H])([H])C2([H])[H])=N1	354
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC([H])([H])C([H])([H])N1C(=O)OC([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H]	323
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC([H])([H])[H])=NC([H])=C2[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	33
[H]N(C1=NC([H])=C([H])C2=C1C(=NC2([H])[H])C(=O)OC([H])([H])[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	100
[H]C1=NN(C([H])=C1C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	13
[H]N(C1=NC([H])=C([H])C2=C1C(=NC2([H])[H])C([H])([H])[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	130
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(O[C@@]2([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	13
[H]C1=C([H])C2=C(C(=NC2([H])[H])C([H])([H])[H])C(OC2([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])=N1	858
[H]C1=C([H])C([H])=C(C([H])=N1)C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	21
[H]C1=NC([H])=C([H])C(=C1[H])C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	26
[H]C1=NC([H])=C(C([H])=N1)C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	46
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])C2=C([H])C(C#N)=C([H])C([H])=C2[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	9
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])C2=C([H])C([H])=C(C#N)C([H])=C2[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	25
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])C2=C([H])C(=C([H])C([H])=C2[H])C(=O)N(C([H])([H])[H])C([H])([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	18
[H]N1N=C([H])C(=C1[H])C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	12
[H]N(C(=O)C([H])([H])[H])C1=C(C([H])=C([H])C([H])=C1[H])C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	66
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C(C([H])=N1)C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	21
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	10
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	11
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])([H])[H]	15
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])C2=C([H])C([H])=C(C([H])=C2[H])C(=O)N(C([H])([H])[H])C([H])([H])[H])C(OC2([H])C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=N1	9
[H]C1=NN(C([H])=C1C1=NC([H])=C([H])C(=C1[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])([H])C([H])([H])[H]	12
[H]C1=C(C([H])=C(N1C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=NC([H])([H])C2=C([H])C([H])=NC(OC([H])(C([H])([H])[H])C([H])([H])[H])=C12	6
[H]C1=C(C([H])=C(N1C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])C1([H])[H])C1=NC([H])([H])C2=C1C(OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])=NC([H])=C2[H]	8
[H]C1=C([H])C2=C(C(=NC2([H])[H])C2=C([H])C(=NC([H])=C2[H])C(=O)N2C([H])([H])[C@@]3([H])OC([H])([H])[C@]2([H])C3([H])[H])C(OC([H])(C([H])([H])[H])C([H])([H])[H])=N1	384
[H]N1C([H])=C([H])C2=C1N=C([H])N=C2N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C(=O)C([H])([H])C#N)C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	925
[H]O[C@@]([H])(C([H])([H])N([H])C(=O)C1=C(N([H])C(\C([H])=C2/C(=O)N([H])C3=C2C([H])=C(F)C([H])=C3[H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	71
[H]N(C1=NC(N([H])C2=C([H])C([H])=C([H])C([H])=C2S(=O)(=O)C([H])(C([H])([H])[H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])N1C([H])([H])C([H])([H])C([H])(N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	4.465
[H]N1C([H])=C([H])C2=C1N=C([H])N=C2C1=C([H])N(N=C1[H])[C@]([H])(C([H])([H])C#N)C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	190
[H]N(\C(=C1/C(=O)N([H])C2=C1C([H])=C([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	41.5
[H]OC1=C([H])C(O[H])=C2C(=O)C([H])=C(OC2=C1[C@@]1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[C@@]1([H])O[H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	1500
[H]N(C1=NC([H])=C(C(=N1)N([H])C1=C([H])C(=C([H])C([H])=C1[H])S(=O)(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	935
[H]N(C(=O)C1=C(F)C([H])=C([H])C([H])=C1N([H])C1=NC(=NC2=C1C([H])=C([H])N2[H])N([H])C1=C([H])C2=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])N2C(=O)C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	450
[H]N(C(=O)C1=C(N([H])C(\C([H])=C2/C(=O)N([H])C3=C([H])C([H])=C(F)C([H])=C23)=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	93
[H]N(C(=O)N([H])C1=C([H])C(=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H])C(F)(F)F)C1=C([H])C([H])=C(OC2=NC([H])=NC(N([H])C([H])([H])[H])=C2[H])C([H])=C1[H]	2675
[H]N1C(=O)C2=C(C1=O)C1=C([H])N(C3=C1C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])[C@]([H])(OC([H])([H])C([H])([H])N1C([H])=C2C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	9850
[H]OC1=C([H])C2=C(N([H])C(=C2[H])C2=NN(C3=C2C(=NC([H])=N3)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	995
[H]C#CC1=C([H])C([H])=C([H])C(N([H])C2=NC([H])=NC3=C2C([H])=C(OC([H])([H])C([H])([H])OC([H])([H])[H])C(OC([H])([H])C([H])([H])OC([H])([H])[H])=C3[H])=C1[H]	3850
[H]N(C(=O)C1=NC(C#N)=C([H])N1[H])C1=C(C([H])=C(C([H])=C1[H])C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	280
[H]N1N=C(\C([H])=C(/[H])C2=C([H])C([H])=C(C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])N([H])C([H])([H])C2([H])[H])C2=C1C([H])=C([H])C([H])=C2[H]	197.5
[H]N(C1=C([H])C([H])=C2OC(C(=O)N([H])C2=N1)(C([H])([H])[H])C([H])([H])[H])C1=C(F)C([H])=NC(=N1)N([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	31.5
[H]N([H])[C@]([H])(C([H])([H])OC1=C([H])C(=C([H])N=C1[H])C1=C([H])C2=C(N([H])N=C2C([H])([H])[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1650
[H]N([H])C1=C(C2=NC3=C(N2[H])C([H])=C([H])C(=C3[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C(=O)N([H])C2=C([H])C([H])=C([H])C(F)=C12	1190
[H]N(C([H])([H])[H])[C@]1([H])C([H])([H])[C@@]2([H])O[C@@](N3C4=C(C([H])=C([H])C([H])=C4[H])C4=C3C3=C(C5=C(C([H])=C([H])C([H])=C5[H])N23)C2=C4C([H])([H])N([H])C2=O)(C([H])([H])[H])[C@]1([H])OC([H])([H])[H]	1.745
[H]C([H])=C([H])C(=O)N([H])C1=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])=C2N=C([H])N=C(N([H])C3=C([H])C(Cl)=C(F)C([H])=C3[H])C2=C1[H]	800
[H]N(C1=C([H])C(OC([H])([H])[H])=C(Cl)C([H])=C1Cl)C1=C(C#N)C([H])=NC2=C([H])C(OC([H])([H])C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])=C(OC([H])([H])[H])C([H])=C12	665
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1SC1=C([H])C([H])=C2C(=NN([H])C2=C1[H])C(\[H])=C(/[H])C1=NC([H])=C([H])C([H])=C1[H])C([H])([H])[H]	955
[H]N(C1=NC([H])=C2C([H])=C(C(=O)N(C2=N1)C([H])([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl)C1=C([H])C(SC([H])([H])[H])=C([H])C([H])=C1[H]	6300
[H]N(C(=O)C1=C([H])C([H])=C2C([H])=C3N(C2=C1[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])N([H])C3=O)C1=NC2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	16
[H]N1N=C(C2=C1C([H])=C([H])N=C2OC1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H]	858
[H]N1N=C(\C([H])=C(/[H])C2=C([H])N(N=C2[H])C([H])([H])[H])C2=C1C([H])=C([H])N=C2OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	0.3
[H]N(C(=O)C1=C([H])C(=C([H])N1C([H])(C([H])([H])[H])C([H])([H])[H])C1=NN([H])C2=C1C(OC([H])(C([H])([H])[H])C([H])([H])[H])=NC([H])=C2[H])C1([H])C([H])([H])OC1([H])[H]	2.4
[H]N(C1=NC(N([H])C([H])([H])[H])=C(C#N)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	58.5
[H]N(C1=NC(N([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	5.25
[H]N(C1=NC(N([H])C([H])([H])[H])=C(F)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	241.25
[H]N(C1=NC(N([H])C([H])([H])[H])=C(Br)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	7.25
[H]N(C1=NC(N([H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1Br)C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	13
[H]N(C1=NC([H])=C(Cl)C(=N1)N([H])C([H])([H])[H])C1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	13.825
[H]N(C1=NC(N([H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1C([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	7
[H]N(C1=NC(N([H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C([H])C([H])=C1OC([H])(F)F	7
[H]N(C1=NC(N([H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C([H])C([H])=C1Br	33
[H]N(C1=NC(N([H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H]	6
[H]N(C1=NC(N([H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]	20
[H]N(C1=NC(N([H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C([H])C([H])=C1[H]	11
[H]N(C1=NN2C([H])=C(C([H])=C([H])C2=N1)C1=C([H])C(=C(C(=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	20
[H]N(C1=NC(N([H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	6
[H]OC1=C(C([H])=C(C([H])=C1C([H])([H])[H])C1=C([H])N2N=C(N=C2C([H])=C1[H])N([H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	10
[H]N(C1=NC([H])=C2N(C(=O)C3=C(C([H])=C([H])C([H])=C3[H])N(C2=N1)C([H])([H])[H])C([H])([H])[H])C1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])C([H])(N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	13
[H]N(C1=NC(OC([H])([H])[H])=C(Br)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	29
[H]N(C1=NC(OC([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	39
[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])N1C(=O)C2=C([H])C(OC([H])([H])[H])=C(N([H])C3=NC([H])=C(C(=N3)N([H])C([H])([H])C([H])([H])[H])C(F)(F)F)C([H])=C2C1([H])[H]	13
[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])N([H])C(=O)C1=C([H])C(OC([H])([H])[H])=C(N([H])C2=NC([H])=C(C(=N2)N([H])C([H])([H])C([H])([H])[H])C(F)(F)F)C([H])=C1F	5.5
[H]N(C1=NC([H])=C(C(=N1)N([H])C([H])([H])[H])C(F)(F)F)C1=C(OC([H])([H])[H])C([H])=C(N=C1[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	30
[H]N(C1=NC([H])=C(C(=N1)N([H])C([H])([H])C([H])([H])[H])C(F)(F)F)C1=C(OC([H])([H])[H])C([H])=C(N=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	10
[H]N(C1=NC([H])=C(C(=N1)N([H])C([H])([H])[H])C(F)(F)F)C1=C(OC([H])([H])[H])C([H])=C(C(F)=C1[H])S(=O)(=O)C([H])([H])[H]	14.5
[H]N(C1=NC([H])=C(C(=N1)N([H])C([H])([H])[H])C(F)(F)F)C1=C(Cl)C([H])=C(C([H])=C1[H])C1=NN=NN1C([H])([H])[H]	54
[H]N(C1=NC(N([H])C2([H])C([H])([H])C2([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C(F)=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	2.5
[H]N(C1=NC(N([H])C([H])([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C(F)=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	5
[H]N(C1=NC(N([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C(F)=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	11
[H]N(C1=NC(N([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C([H])=C(C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C(F)=C1OC([H])([H])[H]	23.5
[H]N(C1=NC(N([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C(OC([H])([H])[H])=C(C([H])=C1F)C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	35
[H]N(C1=NC(N([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C(=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	6.5
[H]N(C1=NC(N([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C(=C(C([H])=C1Cl)C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	25
[H]N(C1=NC(N([H])C([H])([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C(OC([H])([H])[H])=C(C([H])=C1Cl)C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	15
[H]N(C1=NC(N([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C(OC([H])([H])[H])=C(C([H])=C1Cl)C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	14
[H]N(C1=NC(N([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C(OC([H])([H])[H])=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	11
[H]N(C1=NC(N([H])C([H])([H])[H])=C(C([H])=N1)C(F)(F)F)C1=C([H])C(Cl)=C(C([H])=C1OC([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	4.5
CC(C)NC1=C2C=CC(=CC2=NC=C1C1=NC=CS1)C1=CC=C(C=C1)S(C)(=O)=O	1747
CC(C)NC1=C(C=NC2=C1C=CC(=C2)C1=CC=C(C=C1)S(C)(=O)=O)C(N)=O	37
CC(C)NC1=C2C=CC(=CC2=NC=C1C(C)=O)C1=CC=C(C=C1)S(C)(=O)=O	66
C[C@@H](NC1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(C=C1)N1C=COC1=O)C1CC1	48
C[C@@H](NC1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(C=C1)S(C)(=O)=O)C1CC1	46
CN(C(C)=O)C1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(C=C1)S(C)(=O)=O	2333
CS(=O)(=O)C1=CC=C(C=C1)C1=CC2=NC=C(C#N)C(N3C=CN=C3)=C2C=C1	682
CN(C1=CC=CC=C1)C1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(C=C1)S(C)(=O)=O	450
CN1CCN(CC1)C1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(C=C1)S(C)(=O)=O	281
CS(=O)(=O)C1=CC=C(C=C1)C1=CC2=NC=C(C#N)C(N3CCCCC3)=C2C=C1	52
CN(C)C1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(C=C1)S(C)(=O)=O	20
CS(=O)(=O)C1=CC=C(C=C1)C1=CC2=NC=C(C#N)C(N3CCC3)=C2C=C1	16
CN1C=C(C=N1)C1=CC2=NC=C(C#N)C(N3CCC3)=C2C=C1	10
CC(C)NC1=C2C=CC=CC2=NC=C1C#N	103
CC(C)NC1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(Cl)S1	109
CC(C)NC1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(N=C1)S(C)(=O)=O	64
CC(C)NC1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(C=C1)S(=O)(=O)N(C)C	23
CC(C)NC1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(C=C1)S(=O)(=O)N1CCCC1	12
CC(C)NC1=C2C=CC(=CC2=NC=C1C#N)C1=CN=C(C)S1	23
CC(C)NC1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(C=C1)S(=O)(=O)N1CCOCC1	14
CC(C)NC1=C2C=CC(=CC2=NC=C1C#N)C1=CN(C)N=C1	7
CC(C)NC1=C2C=CC(=CC2=NC=C1C1=CN(C)N=C1)C1=CC=C(C=C1)S(C)(=O)=O	2020
CC(C)NC1=C2C=CC(=CC2=NC=C1C#N)C1=CC=C(C=C1)S(C)(=O)=O	31
FC(F)(F)C1=CC=CC(=C1)S(=O)(=O)C1=NN2C(C=C1)=NN=C2C1=CC=CC=C1	4730
[O-][S+](C1=CC(=CC=C1)C(F)(F)F)C1=NN2C(C=C1)=NN=C2C1=CC=CC=C1	2580
FC(F)(F)C1=CC=CC(OC2=NN3C(C=C2)=NN=C3C2=CC=CC=C2)=C1	4000
CC1=CC2=NN=C(N2N=C1SC1=CC(=CC=C1)C(F)(F)F)C1=CC=CS1	4000
CC(SC1=NN2C(C=C1)=NN=C2C1=CC=CC(Cl)=C1)C1=CC=NN1	1662
CC(SC1=NN2C(C=C1)=NN=C2C1=CC=CS1)C1=NN=CO1	384
CC(C)(SC1=NN2C(C=C1)=NN=C2C1=CC=CS1)C(N)=O	1259
CC(C)C(SC1=NN2C(C=C1)=NN=C2C1=CC=CS1)C(N)=O	1294
CCC(SC1=NN2C(C=C1)=NN=C2C1=CC=CS1)C(=O)OC	338
COC(=O)[C@@H](C)SC1=NN2C(C=C1)=NN=C2C1=CC=CS1	463
S(C1=CC=CC=C1)C1=NN2C(C=C1)=NN=C2C1=CN=CS1	159
FC(F)(F)C1=NC(SC2=NN3C(C=C2)=NN=C3C2=CN=CS2)=NC=C1	183
S(C1=NN2C(C=C1)=NN=C2C1=CN=CS1)C1=NC=CC=N1	117
FC(F)(F)OC1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CN=CS2)=C1	281
CC(C)(C)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CN=CS2)=C1	75
COC1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CN=CS2)=C1	138
FC1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CN=CS2)=C1	169
ClC1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CN=CS2)=C1	31
BrC1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CN=CS2)=C1	32
FC(F)(F)C1=C(SC2=NN3C(C=C2)=NN=C3C2=CC=CC=C2)C=CC=C1	3168
FC(F)(F)C1=CC=C(SC2=NN3C(C=C2)=NN=C3C2=CC=CC=C2)C=C1	5897
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2CCOCC2)=C1	5329
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2CCCC2)=C1	1549
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2CC2)=C1	994
FC1=CC=C(C=C1)C1=NN=C2C=CC(SC3=CC(=CC=C3)C(F)(F)F)=NN12	674
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CC=CC(=C2)N2CCNCC2)=C1	314
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CC=CC(Cl)=C2)=C1	265
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CC=CC=C2Cl)=C1	3305
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CC=NC=C2)=C1	859
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CC=CN=C2)=C1	211
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CC=CC=N2)=C1	164
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=C(Br)C=CS2)=C1	613
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CSC=N2)=C1	140
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=NC=CS2)=C1	88
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CN=CS2)=C1	74
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CC=NN2)=C1	53
COC(=O)C(C)SC1=NN2C(C=C1)=NC=C2C1=CC=CS1	76
FC(F)(F)C1=CC=CC(SC2=CN3C(C=N2)=NC=C3C2=CC=CS2)=C1	3400
FC(F)(F)C1=CC=CC(SC2=CN3C(C=C2)=NC=C3C2=CC=CS2)=C1	4215
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NC=C3C2=CC=CS2)=C1	101
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CC=CS2)=C1	75
FC(F)(F)C1=CC=CC(SC2=NN3C(C=C2)=NN=C3C2=CC=CC=C2)=C1	242
CNC1=NC(NC2=CN(C)N=C2C)=NC=C1C(F)(F)F	52
CNC1=NC(NC2=CN(C)N=C2)=NC=C1C(F)(F)F	99
CNC1=NC(NC2=CC=NN2C)=NC=C1C(F)(F)F	130
CNC1=NC(NC2=NN(C)C=C2)=NC=C1C(F)(F)F	170
CNC1=NC(NC2=C(Cl)N(CC(C)(C)O)N=C2)=NC=C1C(F)(F)F	28
CNC1=NC(NC2=C(Cl)N(C)N=C2)=NC=C1C(F)(F)F	39
CNC1=NC(NC2=C(C)N(C)N=C2)=NC=C1C(F)(F)F	41
[H][C@]12C[C@H]([C@H](OC)[C@@](C)(O1)N1C3=CC=CC=C3C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1	375
CC(C)NC1=C(N=NC2=C1C=CC(=C2C)C1=CC=NC=C1)C(N)=O	3199
CNC(=O)C1=C(N[C@H](C)C2CC2)C2=C(C=C(C=C2)C2=CC=C(C=C2)S(C)(=O)=O)N=N1	168
CNC(=O)C1=C(NC(C)C)C2=C(C=C(C=C2)C2=CC=C(C=C2)S(C)(=O)=O)N=N1	412
CC(C)NC1=C(N=NC2=C1C=CC(=C2)C1=CSN=C1)C(N)=O	14
CC(C)NC1=C(N=NC2=C1C=CC(=C2)N1CCOCC1)C(N)=O	9
CC(C)NC1=C(N=NC2=C1C=CC(=C2)N1CCN(C)CC1)C(N)=O	53
CC(C)NC1=C(N=NC2=C1C=CC(=C2)C1=CN(C)N=C1)C(N)=O	9
CC(C)NC1=C(N=NC2=C1C=C(C=C2)C1=CN(C)N=C1)C(N)=O	378
CC(C)NC1=C(N=NC2=C1C=CC(=C2)C1=CNN=C1)C(N)=O	12
CC(C)NC1=C(N=NC2=C1C=C(C=C2)C1=CNN=C1)C(N)=O	1
CC(C)NC1=C(N=NC2=C1C=C(C=C2)C1=CC=NC=C1)C(N)=O	30
C[C@@H](NC1=C(N=NC2=C1C=CC(=C2)C1=CC=NC=C1)C(N)=O)C1CC1	2
CC(C)NC1=C(N=NC2=C1C=CC(=C2)C1=CC=NC=C1)C(N)=O	15
NC(=O)C1=C(NCCO)C2=C(C=C(C=C2)C2=CC=NC=C2)N=N1	145
[H][C@@]12C[C@@](O)(CO)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O	3.05
NC(=O)C1=C(NCCCO)C2=C(C=C(C=C2)C2=CC=NC=C2)N=N1	121
C[C@@H](NC1=C(N=NC2=C1C=CC(=C2)C1=CC=C(C=C1)S(C)(=O)=O)C(N)=O)C1=CC=CC=C1	965
CS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(C=C1)C(N)=C(N=N2)C(N)=O	142
CNC1=C(N=NC2=C1C=CC(=C2)C1=CC=C(C=C1)S(C)(=O)=O)C(N)=O	119
CS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(C=C1)C(NC1CCOC1)=C(N=N2)C(N)=O	17
CS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(C=C1)C(NC1CC1)=C(N=N2)C(N)=O	25
CS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(C=C1)C(NC1CCOCC1)=C(N=N2)C(N)=O	23
CCNC1=C(N=NC2=C1C=CC(=C2)C1=CC=C(C=C1)S(C)(=O)=O)C(N)=O	46
CS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(C=C1)C(NCC1CC1)=C(N=N2)C(N)=O	13.5
C[C@@H](NC1=C(N=NC2=C1C=CC(=C2)C1=CC=C(C=C1)S(C)(=O)=O)C(N)=O)C1CC1	1
CC(C)NC1=C(N=NC2=C1C=CC(=C2)C1=CC=C(C=C1)S(C)(=O)=O)C(N)=O	15
[H]N([H])C(=O)C1=C(N([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C(N=C1[H])C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H]	781