smile	binding.affinity
[H]N1C(=C([H])C(=C1C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H]	10
[H]N1C(=C([H])C(=C1C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])[S@](=O)C([H])([H])[H]	8.1
[H]N([H])C1=C([H])C([H])=C([H])C(=C1[H])N1N=C(C([H])=C1N([H])C(=O)N([H])C1=C([H])C([H])=C([H])C(Cl)=C1Cl)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	52
[H]OC1(C2=NC(=C(O2)C2=C([H])C([H])=NC([H])=C2[H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	2408
[H]N(C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C(=NN1C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	110
[H]N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C2Cl)C2=C(N=C(SC3=C([H])C([H])=C(F)C([H])=C3[H])C([H])=C2[H])C1([H])[H]	530
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C(F)C([H])=C3[H])C([H])=C2[H])C1([H])[H])C1=C(C([H])=C([H])C([H])=C1Cl)C([H])([H])[H]	245
[H]N([H])C(=O)OC1=C([H])C(Cl)=C(N2C(=O)N([H])C([H])([H])C3=C2C([H])=C([H])C(SC2=C([H])C([H])=C(F)C([H])=C2[H])=N3)C(Cl)=C1[H]	220
[H]N1C(=O)N(C2=C(N=C(SC3=C(C([H])=C([H])C([H])=C3C([H])([H])[H])C([H])([H])[H])C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	980
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	2370
[H]N([H])C1=C([H])C(F)=C([H])C([H])=C1SC1=NC2=C(C([H])=C1[H])N(C(=O)N([H])C2([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	1340
[H]N1C(=O)N(C2=C(N=C(SC3=C(Cl)C([H])=C([H])C([H])=C3[H])C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	941.5
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C(F)C([H])=C3[H])C([H])=C2[H])C1([H])[H])C1=C(C([H])=C(C([H])=C1Cl)C(=O)OC([H])([H])[H])C([H])([H])[H]	250
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C(Cl)C([H])=C3Cl)C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	190
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C(F)C([H])=C3[H])C([H])=C2[H])C1([H])[H])C1=C(C([H])=C([H])C([H])=C1Cl)C(F)(F)F	950
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C(F)C([H])=C3[H])C([H])=C2[H])C1([H])[H])C1=C(C([H])=C([H])C([H])=C1Cl)C([H])([H])C([H])([H])[H]	200
[H]N(C1=NC2=C(C([H])=C1[H])N(C(=O)N([H])C2([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	980
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C(F)C([H])=C3F)C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	250
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C([H])C([H])=C3Br)C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	1480
[H]N([H])C1=C([H])C([H])=C([H])C([H])=C1SC1=NC2=C(C([H])=C1[H])N(C(=O)N([H])C2([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	2750
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C([H])C([H])=C3C([H])([H])[H])C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	800
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C(F)C([H])=C3[H])C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C(C([H])=C1Cl)C(=O)OC([H])([H])[H]	73
[H]OC(=O)C1=C([H])C(Cl)=C(N2C(=O)N([H])C([H])([H])C3=C2C([H])=C([H])C(SC2=C([H])C([H])=C(F)C([H])=C2[H])=N3)C(Cl)=C1[H]	530
[H]N(C(=O)C1=C([H])C(Cl)=C(N2C(=O)N([H])C([H])([H])C3=C2C([H])=C([H])C(SC2=C([H])C([H])=C(F)C([H])=C2[H])=N3)C(Cl)=C1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	1230
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C(F)C([H])=C3Cl)C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	57
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C(F)C([H])=C3[H])C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C(C([H])=C1Cl)C(=O)C([H])([H])[H]	210
[H]N1C(=O)N(C2=C(N=C(SC3=C([H])C([H])=C([H])C([H])=C3OC([H])([H])[H])C([H])=C2[H])C1([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	3430
[H]N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])[H])C2=C(N=C(SC3=C(Cl)C([H])=C(F)C([H])=C3[H])C([H])=C2[H])C1([H])[H]	52
[H]N(OC([H])([H])[H])C(=O)C1=C([H])C([H])=C(C(N([H])C2=NC(=NC(=N2)N(C([H])([H])[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])=C1[H])C([H])([H])[H]	22
[H]N(C(=O)N([H])C1=C2C([H])=C([H])C([H])=C([H])C2=C(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])=C1[H])C1=C([H])C(=NN1C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	2931.75
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NC(=C(N1[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	88
[H]C1=NC(=O)C(=C2C([H])=C([H])C(SC3=C(F)C([H])=C(F)C([H])=C3[H])=NN12)C1=C(Cl)C([H])=C([H])C([H])=C1Cl	147
[H]N(C(=O)N([H])C1=C([H])C(=C(Cl)C([H])=C1[H])C(F)(F)F)C1=C([H])C([H])=C(OC2=C([H])C([H])=NC(=C2[H])C(=O)N([H])C([H])([H])[H])C([H])=C1[H]	230
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=NC([H])=C([H])C(=C1[H])C1=C(N=C(S1)C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H]	200
[H]OC1=C2C([H])=C([H])C([H])=C3C2=NN1C([H])([H])C([H])([H])[N@@]1C([H])([H])[C@@]([H])(OC2=C4N=C3C(O[H])=NC4=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C([H])([H])[H]	1000
[H]C1=C([H])C(Cl)=C(N2C(=O)C([H])=C([H])C3=C2C([H])=C(C([H])=C3C2=C([H])C([H])=C(F)C([H])=C2F)C2([H])C([H])([H])C([H])([H])N(C([H])([H])C2([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(Cl)=C1[H]	0.25
[H]N(C1=C([H])C(=C([H])C([H])=N1)C1=C(N=C(N1C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C(F)(F)F)[C@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	0.1
[H]N(C(=O)C1=C([H])N=C(S1)N([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C1=C(C([H])=C([H])C(=C1[H])C(=O)N([H])C([H])([H])[H])C([H])([H])[H]	1.5
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=C([H])C([H])=C1C([H])([H])[H])C(=O)N([H])C1([H])C([H])([H])C1([H])[H])C([H])([H])C1([H])C([H])([H])C1([H])[H]	24
[H]N(C1=NOC2=C(C3=C([H])C4=C(C([H])=C3[H])C(=NN=C4[H])N3C([H])([H])C([H])([H])OC([H])([H])[C@]3([H])C([H])([H])[H])C(=C([H])C([H])=C12)C([H])([H])[H])C([H])([H])[H]	1.8
[H]N([H])S(=O)(=O)N1C([H])([H])C([H])([H])C([H])(N([H])C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(C([H])=C2[H])S(=O)(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	210
[H]OC([H])([H])C([H])([H])C#CC1=NC(=C(N1C#C[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	5400
[H]N(C(=O)C1=C([H])C([H])=C(Cl)C(N([H])C2=NN=C([H])C3=C2C([H])=NN3C2=C(F)C([H])=C([H])C([H])=C2F)=C1[H])C1([H])C([H])([H])C1([H])[H]	4
[H]O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])N1C([H])([H])C([H])([H])C([H])(C2=C(C(=NN2[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=NC([H])=N2)C([H])([H])C1([H])[H]	3380
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=NC([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=N1)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	3290
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=N1)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	3710
[H]OC([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])(C2=C(C(=NN2[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=NC([H])=N2)C([H])([H])C1([H])[H]	3450
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])OC([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=N1)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	3250
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C(=O)N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=N1)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	3480
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H])C1=C([H])C([H])=NC([H])=N1)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	4100
[H]N(C(=O)C1=C([H])C([H])=C(C(=C1[H])C1=C([H])C2=C(N(N=C2[H])C2=C(F)C([H])=C([H])C([H])=C2F)N(C1=O)C([H])([H])[H])C([H])([H])[H])C1([H])C([H])([H])C1([H])[H]	1.585
[H]N1N=C(C(=C1[C@]1([H])C([H])([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	404
[H]N1N=C(C(=C1[C@]1([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	2520
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=N1)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	2320
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=C(C(=NN2[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=NC([H])=N2)C([H])([H])C1([H])[H]	2540
[H]OC([H])([H])C(N1C([H])([H])C([H])([H])C([H])(C2=C(C(=NN2[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=NC([H])=N2)C([H])([H])C1([H])[H])(C([H])([H])[H])C([H])([H])[H]	2780
[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=C(C(=NN2[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=NC([H])=N2)C([H])([H])C1([H])[H]	9780
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])[C@]1([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=N1)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	7410
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=N1)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	9500
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	1680
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	510
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	1960
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	2680
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	1050
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F	3770
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C(=C([H])C([H])=C1[H])C(F)(F)F	164
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	3070
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H]	2350
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=C(C(=NN2[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=NC([H])=C2[H])C([H])([H])C1([H])[H]	3390
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])OC([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	6720
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	6550
[H]N([H])S(=O)(=O)N1C([H])([H])C([H])([H])C([H])(C2=C(C(=NN2[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=NC([H])=C2[H])C([H])([H])C1([H])[H]	1650
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	3530
[H]OC(=O)C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=C(C(=NN2[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=NC([H])=C2[H])C([H])([H])C1([H])[H]	4340
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	3130
[H]OC([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])(C2=C(C(=NN2[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=NC([H])=C2[H])C([H])([H])C1([H])[H]	1790
[H]N1N=C(C(=C1C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])OC([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	3450
[H]N1N=C(C(=C1C1([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])=NC([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	6720
[H]OC([H])([H])C([H])([H])C([H])(N([H])C1=NC([H])=C2C([H])=C(OC3=C([H])C([H])=C(F)C([H])=C3F)C(=O)N(C2=N1)C([H])([H])[H])C([H])([H])C([H])([H])O[H]	120
[H]C1=C(C(=O)C(=O)N(C([H])([H])[H])C([H])([H])[H])C2=C([H])C(C(=O)N3C([H])([H])[C@@]([H])(N(C([H])([H])C4=C([H])C([H])=C(F)C([H])=C4[H])C([H])([H])[C@@]3([H])C([H])([H])[H])C([H])([H])[H])=C(Cl)C([H])=C2N1C([H])([H])[H]	56.5
[H]N([H])C(=O)N(C1=NC(=C(C([H])=C1[H])C(=O)N([H])[H])C1=C(F)C([H])=C(F)C([H])=C1[H])C1=C(F)C([H])=C([H])C([H])=C1F	17
[H]N([H])C1=NN([H])C2=C([H])C([H])=C([H])C(=C12)C1=C([H])C([H])=C(N([H])C(=O)N([H])C2=C(F)C([H])=C([H])C(=C2[H])C([H])([H])[H])C([H])=C1[H]	5185
[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]	430
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C(=NC(=N2)C([H])([H])[H])N([H])C2=NC([H])=C(S2)C(=O)N([H])C2=C(Cl)C([H])=C([H])C([H])=C2C([H])([H])[H])C([H])([H])C1([H])[H]	410
[H]N1C([H])=C(C(=C1C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])[C@@]2([H])N(C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	572
[H]N(C1=NC2=C(C([H])=N1)C([H])=C(OC1=C([H])C([H])=C(F)C([H])=C1F)C(=O)N2C([H])([H])[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	29
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C(=C([H])N([H])C1=O)C1=NC(N([H])C([H])([H])[H])=C([H])N=C1[H]	1000
[H]N(C1=NC2=C(C([H])=N1)C([H])=C(OC1=C(F)C([H])=C(F)C([H])=C1[H])C(=O)N2C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])S(=O)(=O)C([H])([H])[H]	8.7
[H]N(C1=NN([H])C2=NC(OC3=C([H])C([H])=C(F)C([H])=C3F)=NC([H])=C12)[C@]([H])(C([H])([H])[H])C([H])([H])S(=O)(=O)C([H])([H])[H]	25
[H]OC([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(C(=C1[H])N1C([H])=NC(OC([H])([H])C2=C([H])C([H])=C(F)C([H])=C2F)=C(C1=O)C([H])([H])[H])C([H])([H])[H]	17
[H]OC([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(C(=C1[H])N1C([H])=NC(OC([H])([H])C2=C([H])C([H])=C(F)C([H])=C2F)=C(C1=O)C([H])([H])C([H])([H])[H])C([H])([H])[H]	6
[H]N(C(=O)C1=C([H])C(N([H])C2=NC([H])=NN3C([H])=C(C(=O)C4=C([H])C([H])=C([H])C([H])=C4[H])C(=C23)C([H])([H])[H])=C(C([H])=C1[H])C([H])([H])[H])C1([H])C([H])([H])C1([H])[H]	19
[H]OC([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C(N2C([H])=NC(OC([H])([H])C3=C([H])C([H])=C(F)C([H])=C3F)=C(Cl)C2=O)=C(C([H])=C1[H])C([H])([H])[H]	249
[H]N(C(=O)C1=C([H])C([H])=C(C(=C1[H])N1C(=O)C(Br)=C(OC([H])([H])C2=C([H])C([H])=C(F)C([H])=C2F)C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	40
[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]	1400
[H]N(C(=O)C1=C([H])C(N([H])C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C([H])N=C2[H])=C(C([H])=C1[H])C([H])([H])[H])C1=C([H])C(=C([H])C(=C1[H])N1C([H])=NC(=C1[H])C([H])([H])[H])C(F)(F)F	36
[H]N(C(=O)C1(C(=O)N([H])C2=C([H])C([H])([H])[C@]([H])(F)C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C(F)=C(OC2=C([H])C([H])=NC3=C([H])C(OC([H])([H])C([H])([H])C([H])([H])N4C([H])([H])C([H])([H])OC([H])([H])C4([H])[H])=C(OC([H])([H])[H])C([H])=C23)C([H])=C1[H]	760
[H]N1C(=NC(=C1C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])[S@+]([O-])C([H])([H])[H]	250
[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]	97
[H]N(C(=O)N([H])C1=C([H])C([H])=C([H])C(Cl)=C1Cl)C1=C(C([H])=C(S1)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N1C([H])([H])C([H])([H])N(C(=O)C([H])([H])C1([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	50
[H]OC1=C([H])C([H])=C(C([H])=C1Cl)N1N=C(C([H])=C1N([H])C(=O)N([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1SC1=C([H])N2C(=NN=C2C2=C([H])C([H])=C([H])C([H])=C2SC([H])([H])C([H])([H])O[H])C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	23
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C([H])=NC(=C2C2=NC(OC([H])([H])[H])=NC([H])=C2[H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	44
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])C1=C([H])C(N([H])C(=O)C2=C([H])C(=C([H])C([H])=C2[H])N(C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C1C([H])([H])[H]	2000
[H]N(C(=O)C1=C([H])C(N([H])C2=C3C([H])=NN(C3=NC(=N2)N([H])C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	12
[H]N(C(=O)C1=C([H])N=C(C([H])=C1[H])C1=C(C(F)=C([H])C(=C1[H])C(=O)N([H])C1([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])C1([H])C([H])([H])C1([H])[H]	25.12
[H]N(C(=O)C1=C([H])N=C(C([H])=C1[H])C1=C(C(F)=C([H])C(=C1[H])C(=O)N([H])C1([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	91.805
[H]OC([H])([H])[C@]1([H])C([H])([H])N([H])C2=C(C(=NN2C1([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H])C1=NN(C(=O)C([H])=C1[H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	36