smile	binding.affinity
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=NC([H])=C2[H])C1([H])[H]	226
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C3C([H])=C([H])C([H])=C([H])C3=C2[H])C1([H])[H]	236
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C(C([H])=C([H])C([H])=C2[H])C(F)(F)F)C1([H])[H]	100
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C(C([H])=C2[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C1([H])[H]	720
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])C1([H])[H]	161
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])C(=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1([H])[H]	370
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])C(=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H]	271
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=NC([H])=C(Cl)C([H])=N2)C1([H])[H]	162
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])C([H])=N2)C1([H])[H]	77
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C(Cl)C([H])=C([H])C([H])=C2[H])C1([H])[H]	100
[H]C1=C([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	439.75
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])N=C2[H])C1([H])[H]	302
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C(C#N)C([H])=C([H])C([H])=C2[H])C1([H])[H]	100
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C(C#N)C([H])=C2[H])C1([H])[H]	214
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C(OC(F)(F)F)C([H])=C2[H])C1([H])[H]	739
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])[H])=C2[H])C1([H])[H]	61
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C3C(=C2[H])C([H])([H])C([H])([H])C3([H])[H])C1([H])[H]	141
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C1([H])[H]	121
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C3N=C([H])C([H])=C([H])C3=C2[H])C1([H])[H]	104
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])N=C3C([H])=C([H])C([H])=C([H])C3=N2)C1([H])[H]	211
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C3N=C(C([H])=C([H])C3=C2[H])C([H])([H])[H])C1([H])[H]	152
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C3C([H])=C([H])C([H])=NC3=C2[H])C1([H])[H]	209
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=NC([H])=C3C([H])=C([H])C([H])=C([H])C3=C2[H])C1([H])[H]	151
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C1([H])[H]	100
[H]C1=NC2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C(OC([H])([H])[H])C([H])=C([H])C([H])=C2[H])C1([H])[H]	100
[H]N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(Cl)=C2N([H])C(=O)N([H])C3(C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H]	280
[H]N([H])C(=O)C1=C([H])C(\N=C2/SC(=NN2C([H])([H])[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C([H])C([H])=C1[H]	2650
[H]OC(=O)C1=C(O[H])C(\N=C2/SC(=NN2C([H])([H])[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C([H])C([H])=C1[H]	9830
[H]OC(=O)C1=C([H])C(\N=C2/SC(=NN2C([H])([H])[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C([H])C([H])=C1O[H]	5580
[H]N1N=NC(=N1)C1=C([H])C(\N=C2/SC(=NN2C([H])([H])[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C([H])C([H])=C1[H]	1710
[H]OC(=O)C1=C([H])C(\N=C2/SC(=NN2C([H])([H])[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C([H])C([H])=C1[H]	7470
[H]OC1=C([H])C(\N=C2/SC(=NN2C([H])([H])[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C([H])C([H])=C1[H]	6130
[H]OC1=NC(=NO1)C1=C([H])C(\N=C2/SC(=NN2C([H])([H])[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C([H])C([H])=C1[H]	1890
[H]OC(=O)C([H])([H])C1=C([H])C(\N=C2/SC(=NN2C([H])([H])[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C([H])C([H])=C1[H]	8570
[H]OC(=O)C1=C(N=C(N=C1[H])N([H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])C1=NC2=C(N([H])N=C2C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N1[H])C(F)(F)F	1000
[H]N1C(=O)C(C#N)=C([H])C(C2=C([H])C([H])=NC([H])=C2[H])=C1C([H])([H])[H]	3600
[H]N(C1=NC2=C(C([H])=C(N=C2[H])C2=C([H])C([H])=C(OC([H])([H])[H])N=C2[H])N(C1=O)C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	2000
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C2=NC3=C(C([H])=C(N=C3[H])C3=C([H])C([H])=C(OC([H])([H])[H])N=C3[H])N(C2=O)C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]	2000
[H]C1=C(OC([H])([H])[H])N=C2N3C(=NC(=C3C(=NC2=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H]	4350
[H]N(C1=NC2=C([H])C([H])=C(OC([H])([H])[H])N=C2N2C(=NC(=C12)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])S(=O)(=O)C([H])([H])[H]	1260
[H]N1C(=O)C2=C(N=C1[C@]1([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C4N=C([H])C([H])=NC4=C3[H])C([H])([H])[C@@]1([H])C([H])([H])[H])N(N=C2[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1000
[H]N1C(=O)C([H])=C(C2=C([H])C(OC([H])([H])C3=C([H])C(=C([H])C([H])=C3[H])C(=O)N3C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])=C([H])C([H])=C12)C([H])([H])[H]	1600
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])OC2=C([H])C([H])=C3N([H])C(=O)C([H])=C(C3=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H]	1650
[H]N1C(=O)C([H])=C(C2=C([H])C(OC([H])([H])C3=C([H])C(=C([H])C([H])=C3[H])C(=O)N3C([H])([H])C([H])([H])C(=O)C([H])([H])C3([H])[H])=C([H])C([H])=C12)C([H])([H])[H]	1260
[H]OC(=O)C1([H])C([H])([H])C([H])([H])N(C(=O)C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])OC2=C([H])C([H])=C3N([H])C(=O)C([H])=C(C3=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H]	840
[H]OC1([H])C([H])([H])C([H])([H])N(C(=O)C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])OC2=C([H])C([H])=C3N([H])C(=O)C([H])=C(C3=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H]	1350
[H]N1C(=O)C([H])=C(C2=C([H])C(OC([H])([H])C3=C([H])C(=C([H])C([H])=C3[H])C(=O)N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C([H])=C12)C([H])([H])[H]	545
[H]N1C(=O)C([H])=C(C2=C([H])C(OC([H])([H])C3=C([H])C(=C([H])C([H])=C3[H])C(=O)N3C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])=C([H])C([H])=C12)C([H])([H])[H]	1340
[H]N1C(=O)C([H])=C(C2=C([H])C(OC([H])([H])C3=C([H])C(=C([H])C([H])=C3[H])C(=O)N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C([H])=C12)C([H])([H])[H]	640
[H]N1C(=O)C([H])=C([H])C2=C([H])C(OC([H])([H])C3=C([H])C(=C([H])C([H])=C3[H])C(=O)N3C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])=C([H])C([H])=C12	2840
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C(N=C3[H])C3=C([H])N=C(OC([H])([H])[H])C([H])=C3[H])N(C2=O)C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]	2000
[H]OC1=NC2=C(C([H])=C1[H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C(=O)N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])=C2[H]	18.1
[H]N(\N=C(\C1=C([H])C([H])=C2N([H])C(=O)C(C2=C1[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	14.8
[H]N1N=C2C3=C4C([H])=C([H])C([H])=C([H])N4N=C3C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C1=O	7000
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1N=C2C3=C4C([H])=C([H])C([H])=C([H])N4N=C3C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])([H])C1=O	8900
[H]N1N=C2C3=C4C([H])=C([H])C([H])=C([H])N4N=C3C([H])([H])C([H])([H])C2=C([H])C1=O	3200
[H]N1N=C(C([H])=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])[H])N2N=C(C([H])=C12)C([H])(C([H])([H])[H])C([H])([H])[H]	2750
[H]C1=C([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C(=N1)C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	3980
[H]C1=C([H])C2=C([H])C(OC([H])([H])C([H])([H])F)=C(OC([H])([H])[H])C([H])=C2C(=N1)C([H])([H])C1=C([H])C(F)=C(OC([H])([H])[H])C([H])=C1[H]	1290
[H]C1=C([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C(=N1)C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])C([H])([H])F)C([H])=C1[H]	1740
[H]C1=C([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C(=N1)C([H])([H])C1=C([H])C(OC([H])([H])C([H])([H])F)=C(OC([H])([H])[H])C([H])=C1[H]	1940
[H]C1=C([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C(=N1)C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])F)C([H])=C1[H]	2200
[H]C1=C([H])C2=C([H])C(OC([H])([H])C([H])([H])F)=C(OC([H])([H])[H])C([H])=C2C(=N1)C([H])([H])C1=C([H])C(=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H]	1190
[H]C1=NC2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H]	8.5
[H]C1=NC2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])C([H])([H])C([H])([H])[H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H]	98
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C3=NC(=C([H])N23)C(F)(F)F)[C@]([H])(C([H])([H])[H])C([H])([H])C1=O	1450
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C3=C2OC(=N3)C(F)(F)F)[C@]([H])(C([H])([H])[H])C([H])([H])C1=O	5740
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C3=C2N=C(O3)C(F)(F)F)[C@]([H])(C([H])([H])[H])C([H])([H])C1=O	6430
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C3=C2SC(=N3)C(F)(F)F)[C@@]([H])(C([H])([H])[H])C([H])([H])C1=O	150
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C3=C2C([H])=C(S3)C(F)(F)F)[C@]([H])(C([H])([H])[H])C([H])([H])C1=O	2850
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C3=NC(=C([H])C([H])=C23)C(F)(F)F)[C@@]([H])(C([H])([H])[H])C([H])([H])C1=O	970
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C2=NC(=O)N(C3=C2N=NC(=C3[H])C2=C([H])N=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]	2000
[H]C1=C([H])C(Cl)=C(C([H])=C1Cl)C1=NC(=C2N1C1=NC(OC([H])([H])[H])=C([H])C([H])=C1N=C2C([H])([H])[H])C([H])([H])[H]	1000
[H]C1=C([H])C(C2=NC(=C3N2C2=NC(OC([H])([H])[H])=C([H])C([H])=C2N=C3C([H])([H])[H])C([H])([H])[H])=C(Cl)C([H])=C1F	1000
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C1=NC(=C2N1C1=NC(OC([H])([H])[H])=C([H])C([H])=C1N=C2C([H])([H])[H])C([H])([H])[H]	5000
[H]C1=C([H])C(=C(S1)C1=NC(=C2N1C1=NC(OC([H])([H])[H])=C([H])C([H])=C1N=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	6900
[H]C1=C(OC([H])([H])[H])N=C2N3C(=NC(=C3C(=NC2=C1[H])C([H])([H])[H])C([H])([H])[H])C1=C(N=C(S1)C([H])([H])[H])C([H])([H])[H]	5280
[H]C1=NC([H])=C(C2=NC(=C3N2C2=NC(OC([H])([H])[H])=C([H])C([H])=C2N=C3C([H])([H])[H])C([H])([H])[H])C(=C1[H])C([H])([H])[H]	2680
[H]C1=C([H])C(C2=NC(=C3N2C2=C([H])C(OC(F)(F)F)=C([H])C([H])=C2N=C3C([H])([H])[H])C([H])([H])[H])=C(C([H])=N1)C([H])([H])[H]	5000
[H]C1=C([H])C(C2=NC(=C3N2C2=C([H])C(=C([H])C([H])=C2N=C3C([H])([H])[H])C(F)(F)F)C([H])([H])[H])=C(C([H])=N1)C([H])([H])[H]	5000
[H]C1=C([H])C(C2=NC(=C3N2C2=C([H])C(=C([H])C(OC([H])([H])[H])=C2N=C3C([H])([H])[H])C(F)(F)F)C([H])([H])[H])=C(C([H])=N1)C([H])([H])[H]	500
[H]C1=C([H])C(C2=NC(=C3N2C2=C([H])C(OC([H])([H])[H])=C([H])C(Cl)=C2N=C3C([H])([H])[H])C([H])([H])[H])=C(C([H])=N1)C([H])([H])[H]	1000
[H]C1=C([H])C(C2=NC(=C3N2C2=C([H])C(=C([H])C(Cl)=C2N=C3C([H])([H])[H])C(F)(F)F)C([H])([H])[H])=C(C([H])=N1)C([H])([H])[H]	1000
[H]C1=C2N(C(=O)N(\C1=N\C1=C(C([H])=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	0.3
[H]N1C(=O)C([H])=C([H])C2=C([H])C(OC([H])([H])C([H])([H])C([H])([H])C(=O)N(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C([H])=C12	5
[H]N1N=C(C([H])=C([H])C1=O)C1=C([H])C([H])=C(OC([H])(F)F)C(OC([H])([H])[H])=C1[H]	500
[H]N(C(=O)C1=C([H])N(C2=C(N([H])C(=O)C([H])=C2[H])C1=O)C([H])([H])C1=C(Cl)C([H])=C([H])C([H])=C1F)C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1000
[H]N(C(=O)C1=C([H])N(C2=C(N([H])C(=O)C([H])=C2[H])C1=O)C([H])([H])C1=C(Cl)C([H])=C([H])C([H])=C1F)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	5000
[H]C1=NC2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])C([H])=C2C([H])(C([H])([H])[H])C([H])([H])[H])C1([H])[H]	370
[H]C1=NC2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])C([H])=C2OC(F)(F)F)C1([H])[H]	739
[H]N1C(=S)S\C(=C(\[H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C(OC([H])([H])[H])=C2[H])C1=O	9460
[H]N1N=C(C2=C([H])C([H])=C(N3N=C(C([H])=C23)C([H])([H])C([H])([H])[H])C([H])([H])[H])C(C1=O)(C([H])([H])[H])C([H])([H])[H]	2370
[H]N1N=C(C2=C([H])C([H])=C(N3N=C(C([H])=C23)C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C(C1=O)(C([H])([H])[H])C([H])([H])[H]	2000
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])N3N=C(C([H])=C23)C([H])([H])C([H])([H])[H])C(C1=O)(C([H])([H])[H])C([H])([H])[H]	9210
[H]N1N=C(C2=C([H])C([H])=C(SC([H])([H])[H])N3N=C(C([H])=C23)C([H])([H])C([H])([H])[H])C(C1=O)(C([H])([H])[H])C([H])([H])[H]	9010
[H]OC([H])([H])C1=C([H])C([H])=C(C2=C([H])C(=NN12)C([H])([H])C([H])([H])[H])C1=NN([H])C(=O)C1(C([H])([H])[H])C([H])([H])[H]	1590
[H]O[C@]([H])(C1=C([H])C([H])=C(C2=C([H])C(=NN12)C([H])([H])C([H])([H])[H])C1=NN([H])C(=O)C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	1630
[H]N1N=C(C2=C([H])C([H])=C(N3N=C(C([H])=C23)C([H])([H])C([H])([H])[H])C(=O)C([H])([H])[H])C(C1=O)(C([H])([H])[H])C([H])([H])[H]	2500
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])N3N=C(C([H])=C23)C(F)(F)F)[C@@]([H])(C([H])([H])[H])C([H])([H])C1=O	1370
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])N3N=C(C([H])=C23)C2([H])C([H])([H])C2([H])[H])C(C1=O)(C([H])([H])[H])C([H])([H])[H]	6170
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])N3N=C(C([H])=C23)C([H])(F)F)C(C1=O)(C([H])([H])[H])C([H])([H])[H]	3280
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])N3N=C(C([H])=C23)C(F)(F)F)C(C1=O)(C([H])([H])[H])C([H])([H])[H]	4130
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C3=C2C([H])=C(O3)C(F)(F)F)C(C1=O)(C([H])([H])[H])C([H])([H])[H]	1100
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C3=C2C([H])=C(S3)C(F)(F)F)C(C1=O)(C([H])([H])[H])C([H])([H])[H]	5360
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C3=NC(=C([H])N23)C(F)(F)F)C(C1=O)(C([H])([H])[H])C([H])([H])[H]	140
[H]N1N=C(C2=C3C([H])=C([H])C(=NC3=C(OC([H])([H])[H])C([H])=C2[H])C(F)(F)F)C(C1=O)(C([H])([H])[H])C([H])([H])[H]	6650
[H]N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C3=C2SC(=N3)C(F)(F)F)C(C1=O)(C([H])([H])[H])C([H])([H])[H]	540
[H]C1=C(OC(=C1[H])C1=C(C([H])=C([H])C([H])=C1[H])C(F)(F)F)C(=O)OC([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	1800
[H]C1=C(OC(=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C(=O)OC([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	3400
[H]N(C(=O)C1=C([H])C([H])=C(O1)C1=C(C([H])=C(C([H])=C1[H])C([H])([H])[H])[N+]([O-])=O)C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	3900
[H]C1=NC(C2=C([H])N=C(S2)C(=O)N(C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	149
[H]C1=NC([H])=C(S1)C1=C2N(C([H])=N1)C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	555
[H]C1=NC([H])=C(S1)C1=C2N(C(=N1)C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	968
[H]C1=NC(C2=C([H])N=C(S2)C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	99
[H]C1=NC(C2=C([H])N=C(S2)C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C2([H])[H])=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	24
[H]N(C(=O)C1=NC([H])=C(S1)C1=C2N(C([H])=N1)C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21)C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	828
[H]OC([H])([H])C1=NC([H])=C(S1)C1=C2N(C([H])=N1)C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	540
[H]C1=NC(C2=C([H])N=C(S2)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	177
[H]C1=NC(C2=C([H])N=C(S2)C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	148
[H]C1=NC(C2=C([H])N=C(S2)C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C2([H])[H])=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	224
[H]C1=NC([H])=C(O1)C1=C2N(C([H])=N1)C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	1738
[H]C1=NC(=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21)C1=C([H])C([H])=C([H])C(Cl)=C1[H]	954
[H]C1=NC(=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	136
[H]C1=NC(=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21)C1=C([H])C([H])=C([H])C(Br)=C1[H]	1279
[H]C1=NC(=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21)C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])[H])=C1[H]	277
[H]C1=NC(=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21)C1=C([H])C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1472
[H]C1=NC(=C2N1C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21)C1=C([H])C([H])=C([H])N=C1[H]	449
[H]C1=C([H])C([H])=C(C([H])=N1)C1=C2N(C(=N1)C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21	727
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCCCOC2=C(F)C=C(C=C2)C2=NNC(=O)C2(C)C)C(=O)CC1C	1520
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCCCOC2=CC=CC(=C2)C2=NNC(=O)C2(C)C)C(=O)CC1C	1730
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCCCOC2=CC=CC(=C2)C2=NNC(=O)CC2C)C(=O)CC1C	590
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCCCOC2=CC=C(C=C2)C2=NNC(=O)C2(C)C)C(=O)CC1C	270
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCCCOC2=CC=C(C=C2)C2=NNC(=O)CC2)C(=O)CC1C	187.5
CCC1=NN2C(=C1)C(=CC=C2OC)C1=NN(CCCCOC2=CC=C(C=C2)C2=NNC(=O)CC2C)C(=O)CC1C	0.735
CCC1=NN2C(=C1)C(=CC=C2OC)C1=NN(CCCOC2=CC=C(C=C2)C2=NNC(=O)CC2C)C(=O)CC1C	11
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCCCCOC2=CC=C(C=C2)C2=NNC(=O)CC2C)C(=O)CC1C	72
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCCOC2=CC=C(C=C2)C2=NNC(=O)CC2C)C(=O)CC1C	140
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCOC2=CC=C(C=C2)C2=NNC(=O)CC2C)C(=O)CC1C	130
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NNC(=O)C[C@@H]1C	360
COC1=CC=C(C2=C1N=C(S2)C(F)(F)F)C1=NN(CCCCOC2=C(F)C(F)=C(C=C2)C2=NNC(=O)C2(C)C)C(=O)C1(C)C	63
COC1=CC=C(N2C=C(N=C12)C(F)(F)F)C1=NN(CCCCOC2=C(F)C(F)=C(C=C2)C2=NNC(=O)C2(C)C)C(=O)C1(C)C	40
COC1=CC=C(C2=C1N=C(S2)C(F)(F)F)C1=NN(CCCCOC2=C(F)C(F)=C(C=C2)C2=NNC(=O)CC2)C(=O)C1(C)C	6.9
COC1=CC=C(N2C=C(N=C12)C(F)(F)F)C1=NN(CCCCOC2=C(F)C(F)=C(C=C2)C2=NNC(=O)CC2)C(=O)C1(C)C	5
CCC1=NN2C(=C1)C(=CC=C2OC)C1=NN(CCCCOC2=CC=C(C=C2)C2=NNC(=O)CC2C)C(=O)C1(C)C	1.7
CCC1=NN2C(=C1)C(=CC=C2OC)C1=NN(CCCCOC2=CC=C(C=C2)C2=NNC(=O)CC2C)C(=O)C=C1	2.7
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCCCOC2=C(F)C(F)=C(C=C2)C2=NNC(=O)CC2)C(=O)CC1C	5.1
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCCCOC2=C(F)C(F)=C(C=C2)C2=NNC(=O)C2(C)C)C(=O)CC1C	15
COC1=CC=C(C2=CC(=NN12)C(F)(F)F)C1=NN(CCCCOC2=CC(F)=C(C=C2)C2=NNC(=O)C2(C)C)C(=O)CC1C	58
CC1=NC2=CC=C(CN3CCOCC3)C=C2N2C1=NN=C2C1=CC=CC=C1Cl	7760