smile	binding.affinity
[H]OC([H])([H])[C@]([H])(N([H])C1=NC(N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C2N=C([H])N(C2=N1)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	1650
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(C(N([H])C2=NC([H])=C([H])C(=N2)C2=C([H])N=C([H])C([H])=C2[H])=C1[H])C([H])([H])[H]	4500
[H]N(C(=O)N1C([H])([H])C([H])([H])N(C2=NC([H])=NC3=C2C([H])=C(OC([H])([H])[H])C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])=C3[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	630
[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]	22
[H]OC(=O)C1=C(N([H])C2=C([H])C([H])=C(I)C([H])=C2F)C(F)=C(F)C(\C([H])=N\N([H])C(=O)C([H])([H])S(=O)(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C1[H]	3000
[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]	32
[H]N(C1=C2C([H])=C(C([H])=C([H])C2=NC([H])=N1)C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])S1	48
[H]\C(C(=O)C([H])([H])[H])=C1\SC2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2N1C([H])([H])C([H])([H])[H]	19
[H]OC([H])([H])[C@]([H])(O[H])C([H])([H])N([H])C1=C([H])C(=C([H])C([H])=C1[H])C1=C(C(=O)N([H])C1=O)C1=C([H])N(C2=C1C([H])=C(F)C([H])=C2[H])C([H])([H])[H]	16
[H]OC(=O)C1=C([H])C([H])=C2C([H])=C([H])C(=NC2=C1O[H])C(\[H])=C(/[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(O[H])=C1[H]	8300
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3[C@H](O)NC1=O)N(C)C(=O)C1=CC=CC=C1	9000
[H]OC1=C([H])C([H])=C(C([H])=C1C([H])([H])[H])C1=NC(=O)N([H])C(=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	210
CC1=CC(C)=C2C=C3C=CC(CCC(=O)NCCCCC(=O)NCCOC4=CC=C(NC5=NC=NC(=N5)C5=C(NC6=CC(NC(=O)C7=CC=CC(=C7)C(F)(F)F)=CC=C6C)N=CC=C5)C=C4)=[N+]3[B](F)(F)N12	1000
[H]C1=C([H])C([H])=C(S1)C([H])([H])N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])[H]	11
[H]C1=C([H])C([H])=C(S1)C([H])([H])N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C([H])([H])[H]	14
[H]C1=C(N=C(S1)C([H])([H])[H])C([H])([H])N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])[H]	19
[H]C1=C([H])C([H])=C(O1)C([H])([H])N(C1=NC([H])=NC2=C([H])C([H])=C(C([H])=C12)C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H])C([H])([H])[H]	22
[H]C1=C([H])N=C(S1)C([H])([H])N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])[H]	28
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C1=C([H])C([H])=C(O1)C([H])([H])[H]	39
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C1=C([H])SC(=N1)C([H])([H])[H]	73
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C1=C(C([H])=C([H])S1)C([H])([H])[H]	69
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])[C@@]1([H])C([H])([H])OC([H])([H])C1([H])[H]	297
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C1=C(OC([H])=C1[H])C([H])([H])[H]	86
[H]C1=C([H])C(=C(S1)C([H])([H])N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])[H])C([H])([H])[H]	89
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])[C@@]1([H])OC([H])([H])C([H])([H])C1([H])[H]	90
[H]C1=NC2=C(C([H])=C(C([H])=C2[H])C2=C([H])C([H])=C3OC([H])([H])OC3=C2[H])C(=N1)N(C([H])([H])[H])C([H])([H])C1=NN=C(O1)C([H])([H])[H]	98
[H]N(C1=C2C([H])=C(C([H])=C([H])C2=NC([H])=N1)C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H])C([H])([H])C1=C([H])OC([H])=C1[H]	111
[H]C1=C(N=C(S1)C([H])([H])N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])[H])C([H])([H])[H]	128
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])O1	130
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	173
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C1=NC([H])=C([H])S1	176
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C1=NC([H])=C([H])N1[H]	191
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C1=C([H])C([H])=C([H])O1	192
[H]OC([H])([H])C1=C([H])C([H])=C(O1)C1=C([H])C2=C(N=C([H])N=C2N(C([H])([H])[H])C([H])([H])C2=C(C([H])=C([H])S2)C([H])([H])[H])C([H])=C1[H]	206
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	227
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])[C@]1([H])C([H])([H])OC([H])([H])C([H])([H])C1([H])[H]	598
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C(O1)C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])S1	798
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C1=C([H])C([H])=C(S1)C([H])([H])[H]	888
[H]C1=C([H])C(=C([H])O1)C1=C([H])C2=C(N=C([H])N=C2N(C([H])([H])[H])C([H])([H])C2=C(C([H])=C([H])S2)C([H])([H])[H])C([H])=C1[H]	899
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])C([H])([H])C1=C([H])N([H])C([H])=N1	931
[H]OC([H])([H])C1=C([H])C([H])=C(O1)C1=C([H])C2=C(N=C([H])N=C2N([H])C([H])([H])C2=C([H])C([H])=C(O2)C([H])([H])[H])C([H])=C1[H]	1522
[H]OC(=O)C1=C([H])C([H])=C(O1)C1=C([H])C2=C(N=C([H])N=C2N([H])C([H])([H])C2=C([H])C([H])=C(O2)C([H])([H])[H])C([H])=C1[H]	1561
[H]N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C(O1)C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O1)C([H])([H])[H]	2083
[H]N(C1=C2C([H])=C(C([H])=C([H])C2=NC([H])=N1)C1=C([H])C([H])=C(O1)C([H])([H])N([H])C([H])([H])C([H])([H])[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	6164
[H]N1C([H])=C([H])N=C1C([H])([H])N(C1=NC([H])=NC2=C1C([H])=C(C([H])=C2[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C([H])([H])[H]	480
[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]	900
[H]N1N=C([H])C2=C1C([H])=C([H])C([H])=C2C1=NC(N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2SC(=C([H])C2=N1)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	1100
[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	6800
[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	600
[H]N1C(=O)C(C2=C([H])N(C3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])[H])=C(C1=O)C1=C([H])N(C2=C1C([H])=C([H])C([H])=C2[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=N2)C([H])([H])C1([H])[H]	510
[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]	2500
[H]N(C1=C(F)C(C(=O)C2=C([H])N([H])C3=C2C([H])=C(Cl)C([H])=N3)=C(F)C([H])=C1[H])S(=O)(=O)C([H])([H])C([H])([H])C([H])([H])[H]	6600
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C(Br)=C([H])C([H])=C23)=C(C([H])=N1)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])[H])C([H])=C1[H]	530
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C(Br)C([H])=C23)=C(C([H])=N1)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])[H])C([H])=C1[H]	750
[H]N([H])C1=NC(C2=C([H])N([H])C3=C(Br)C([H])=C([H])C([H])=C23)=C(C([H])=N1)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])[H]	380
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C(Br)=C([H])C([H])=C23)=C(C([H])=N1)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])[H]	1800
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C(Br)C([H])=C23)=C(C([H])=N1)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])[H]	1600
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C([H])C(Br)=C23)=C(C([H])=N1)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])[H]	1500
[H]N([H])C1=NC(C2=C([H])N([H])C3=C(Br)C([H])=C([H])C([H])=C23)=C(I)C([H])=N1	42
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C(Br)=C([H])C([H])=C23)=C(I)C([H])=N1	32
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C(Br)C([H])=C23)=C(I)C([H])=N1	180
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C([H])C(Br)=C23)=C(I)C([H])=N1	2300
[H]N([H])C1=NC(=C([H])C([H])=N1)C1=C([H])N([H])C2=C(Br)C([H])=C([H])C([H])=C12	65
[H]N([H])C1=NC([H])=C([H])C(=N1)C1=C([H])N([H])C2=C([H])C(Br)=C([H])C([H])=C12	120
[H]N([H])C1=NC([H])=C([H])C(=N1)C1=C([H])N([H])C2=C([H])C([H])=C(Br)C([H])=C12	220
[H]N([H])C1=NC(=C([H])C([H])=N1)C1=C([H])N([H])C2=C([H])C([H])=C([H])C(Br)=C12	1400
[H]N([H])C1=NC(C2=C([H])N([H])C3=C(N([H])[H])C([H])=C([H])C([H])=C23)=C(I)C([H])=N1	26
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C(N([H])[H])=C([H])C([H])=C23)=C(I)C([H])=N1	80
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C(N([H])[H])C([H])=C23)=C(I)C([H])=N1	610
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C([H])C(N([H])[H])=C23)=C(I)C([H])=N1	1000
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)=C(I)C([H])=N1	30
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C(=C([H])C([H])=C23)[N+]([O-])=O)=C(I)C([H])=N1	67
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C(C([H])=C23)[N+]([O-])=O)=C(I)C([H])=N1	120
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C([H])C(=C23)[N+]([O-])=O)=C(I)C([H])=N1	7100
[H]N([H])C1=NC([H])=C([H])C(=N1)C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12	530
[H]N([H])C1=NC(=C([H])C([H])=N1)C1=C([H])N([H])C2=C(C([H])=C([H])C([H])=C12)[N+]([O-])=O	70
[H]N([H])C1=NC(=C([H])C([H])=N1)C1=C([H])N([H])C2=C([H])C(=C([H])C([H])=C12)[N+]([O-])=O	380
[H]N([H])C1=NC(C2=C([H])N([H])C3=C(Br)C([H])=C([H])C([H])=C23)=C(C([H])=N1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	870
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C(Br)=C([H])C([H])=C23)=C(C([H])=N1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	2300
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C([H])C(Br)=C23)=C(C([H])=N1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	1300
[H]N([H])C1=NC(C2=C([H])N([H])C3=C(Br)C([H])=C([H])C([H])=C23)=C(C([H])=N1)C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F	1500
[H]N([H])C1=NC(C2=C([H])N([H])C3=C(Br)C([H])=C([H])C([H])=C23)=C(C([H])=N1)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])[H])C([H])=C1[H]	87
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C(Br)C([H])=C23)=C(C([H])=N1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	2500
[H]N([H])C1=NC(C2=C([H])N([H])C3=C(C([H])=C([H])C([H])=C23)[N+]([O-])=O)=C(I)C([H])=N1	41
[H]N([H])C1=NC(C2=C([H])N([H])C3=C([H])C([H])=C([H])C(Br)=C23)=C(C([H])=N1)C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F	1300
[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]	12
[H]N(C(=O)C1=C(Cl)C([H])=C([H])C([H])=C1Cl)C1=C([H])N([H])N=C1C(=O)N([H])C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H]	990
[H]N(C(=O)C1=C([H])C([H])=C([H])N=C1C([H])([H])[H])C1=C2N([H])C3=C(C([H])=C([H])N=C3[H])C2=C([H])C(Cl)=C1OC([H])([H])[H]	640
[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]	64
[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]	110
[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	2100
[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]	910
[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]	1200
[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]	550
[H]N([H])C1=C(C([H])=NC(=N1)N([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H])C(=O)C1=C(OC([H])([H])[H])C([H])=C([H])C(F)=C1F	66
[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]	1.4
[H]N(C(=O)C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])C1=NC([H])=C(SC([H])([H])C2=NC([H])=C(O2)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])S1	410
[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]	8.8
[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]	1700
[H]OC1=C([H])C([H])=C([H])C(=C1[H])C1=NC(N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2OC3=C(C([H])=C([H])C([H])=N3)C2=N1	3900
[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]	360
[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]	21
[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]	8900
[H]N(C1=NC([H])=C2N(C(=O)[C@]([H])(N(C2=N1)C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C(=O)N([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	940
[H]OC1=C([H])C(=C([H])C([H])=C1[H])C1=NC2=C(N=C1C1=C([H])C([H])=C([H])C(O[H])=C1[H])C(=NC(=N2)N([H])[H])N([H])[H]	140
[H]N1C(=O)\C(=C(\[H])C2=C(C(C(=O)N3C([H])([H])C([H])([H])C([H])([H])[C@]3([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C(N2[H])C([H])([H])[H])C([H])([H])[H])C2=C1C([H])=C([H])C(=C2[H])S(=O)(=O)C([H])([H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	730
[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]	910
[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]	512
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	660
[H]N(C(=O)C(\[H])=C(/[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C(OC([H])([H])C([H])([H])[H])C([H])=C2N=C([H])C(C#N)=C(N([H])C3=C([H])C(Cl)=C(F)C([H])=C3[H])C2=C1[H]	2150
[H]N(C(=O)C1=C([H])C([H])=C2C([H])=C3N(C2=C1[H])C1(C([H])([H])C([H])([H])C1([H])[H])C([H])([H])N([H])C3=O)C1=NC(=C([H])S1)C(=O)N([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	93
[H]N(C(=O)N([H])C([H])([H])C([H])([H])C1=NN(N=N1)C([H])([H])C([H])([H])[H])C1=NC(=C(S1)C1=C([H])C([H])=C(C(F)=C1[H])S(=O)(=O)C([H])([H])[H])C([H])([H])[H]	118
[H]N([H])C1=NC([H])=NC2=C1SC1=C2C([H])=C([H])C([H])=N1	680
[H]N(C1=C2SC3=NC([H])=C([H])C([H])=C3C2=NC([H])=N1)C1=C([H])C([H])=C([H])C([H])=C1[H]	4500
[H]N(C1=C2SC3=NC([H])=C([H])C([H])=C3C2=NC([H])=N1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	3300
[H]N(C1=C2SC3=NC([H])=C([H])C([H])=C3C2=NC([H])=N1)C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	3400
[H]N(C1=C2SC3=NC([H])=C([H])C([H])=C3C2=NC([H])=N1)C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H]	2200
[H]N(C1=C2SC3=NC([H])=C([H])C([H])=C3C2=NC([H])=N1)C1=C([H])C([H])=C(Br)C([H])=C1F	2100
[H]N([H])C1=C2SC3=C([H])C([H])=C([H])N=C3C2=NC([H])=N1	5200
[H]N(C1=N\C(=C(\[H])C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[H])C(=O)N1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	75
[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	350
COC1=CC=C2C(SC3=C2N=CN=C3NC2=CC=C(C=C2)N(C)C)=C1	790
COC1=CC=C2C(SC3=C2N=CN=C3NC2=CC=C(C=C2)C#N)=C1	6800
COC1=CC=C2C(SC3=C2N=CN=C3NC2=CC=C(Br)C=C2F)=C1	2300
COC1=CC=C2C(SC3=C2N=CN=C3NC2=CC=C(F)C=C2F)=C1	1600
COC1=CC=C2C(SC3=C2N=CN=C3NC2=CC(Cl)=C(Cl)C=C2)=C1	6100
COC1=CC=C2C(SC3=C2N=CN=C3NC2=CC=CC=C2Cl)=C1	3100
COC1=CC=C2C(SC3=C2N=CN=C3NC2=CC=C3OCCOC3=C2)=C1	680
COC1=CC=C2C(SC3=C2N=CN=C3NC2=CC(OC)=CC(OC)=C2)=C1	5100
COC1=CC=C2C(SC3=C2N=CN=C3NC2=CC(OC)=C(OC)C=C2)=C1	2800
[H]N1C2=C(C([H])=C([H])C(OC([H])([H])[H])=C2[H])C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	26
COC1=CC=C2C(OC3=C2N=CN=C3NC2=CC=CC=C2Cl)=C1	4200
COC1=CC=C2C(OC3=C2N=CN=C3NC2=CC=C3OCOC3=C2)=C1	2000
COC1=CC=C(NC2=NC=NC3=C2OC2=CC(OC)=CC=C32)C=C1	1500
COC1=CC=C2C(OC3=C2N=CN=C3N)=C1	410
[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	9.6
CN(C)C1CCC(CC1)NC1=C(C=NC(NC2=CC(Cl)=CC(Cl)=C2)=N1)C1=CC(C)=NO1	1630
CN(C)C1CCC(CC1)NC1=C(C=NC(NC2=CC(Cl)=CC(Cl)=C2)=N1)C(=O)NC1CCN(C)CC1	3450