smile	binding.affinity
[H]C1=C([H])C([H])=C2C(=C1[H])C([H])([H])C([H])([H])O[C@]2([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H]	2.2
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[C@]2([H])OC([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	7.2
[H]N1C2=C(N=C(N3C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])C3=C1C([H])=C([H])C(=C3[H])C([H])([H])[H])C([H])=C([H])C([H])=N2	21
[H]C1=C([H])C(=C([H])C([H])=C1F)N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[C@@]2([H])OC([H])([H])C([H])([H])C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C23)C([H])([H])C1([H])[H]	24
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C(=NC2=C1C([H])=C([H])C(Cl)=C2[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	29
[H]C1=C([H])C([H])=C2C(=C1[H])C([H])([H])C([H])([H])O[C@]2([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	3
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	3.7
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C1([H])[H]	1.4
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2F)C([H])([H])C1([H])[H]	3.3
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C([H])=C2[H])C(F)(F)F)C([H])([H])C1([H])[H]	34.1
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]	5
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(SC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H]	4.7
[H]C([H])=C([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])N([H])C3=NC([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	2.8
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	2.3
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]	6.7
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H]	3.6
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	148
[H]N([H])C(=O)C1=C([H])C2=C(O1)C([H])=C([H])C(=C2[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2=C([H])N([H])C3=C2C([H])=C(C#N)C([H])=C3[H])C([H])([H])C1([H])[H]	3400
[H]OC1=C(Cl)C([H])=C2C(=C1[H])[C@@]1([H])C3=C(C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])[C@]1([H])N(C([H])([H])[H])C([H])([H])C2([H])[H]	5520
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@@]1([H])N2C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C(F)C([H])=C2[H])C1([H])[H]	243
[H]N(C(=O)C1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N2C3=C(C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])[C@]2([H])C1([H])[H]	585
[H]N(C(=O)C1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N2C3=C(C([H])=C([H])C([H])=C3OC([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])C1([H])[H]	200
[H]N(C(=O)C1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C1([H])[H]	162
[H]N(C(=O)C1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N2C3=C(C([H])=C([H])C(OC([H])([H])[H])=C3[H])C([H])([H])C([H])([H])[C@@]2([H])C1([H])[H]	1355
[H]N(C(=O)C1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N2C3=C(C(OC([H])([H])[H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])[C@]2([H])C1([H])[H]	651.5
[H]N(C(=O)C1=C(OC([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C(Cl)C(Cl)=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	830
[H]N(C(=O)C1=C([H])C2=C(O1)C(OC([H])([H])[H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C(Cl)C(Cl)=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	373
[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])[H]	2.4
[H]N(C(=O)C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=[N+]([O-])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H]	57
[H]N(C(=O)C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=[N+]([O-])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(F)C([H])=C1C([H])([H])[H]	100
[H]OC1=C([H])N=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C2=NC3=C([H])C([H])=C([H])C([H])=C3N2[H])C([H])([H])C1([H])[H]	13.7
[H]OC1=C([H])C([H])=C2C(=C1O[H])C1=C3C(=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]3([H])C2([H])[H]	5.5
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=[N+]([O-])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	93
[H]N1C(=NC2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	14.3
[H]N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	36.5
[H]OC1=C(Cl)C([H])=C(Cl)C(OC([H])([H])[H])=C1C(=O)N([H])C([H])([H])[C@@]1([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]	1318.5
[H]N1C(=O)C2(N(C3=C([H])C([H])=C([H])C([H])=C3[H])C1([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C2([H])[H]	0.22
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])[C@@]2([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	5026
[H]C1=C([H])C([H])=C2N(C3=C(SC2=C1[H])C([H])=C([H])C(=C3[H])S(=O)(=O)N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	53
[H]C1=C([H])C([H])=C2N(C3=C(SC2=C1[H])C([H])=C([H])C(SC([H])([H])[H])=C3[H])C([H])([H])C([H])([H])[C@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	10
[H]OC1=C(O[H])C([H])=C2C(=C1[H])C([H])([H])C([H])([H])[C@@]1([H])N([H])C([H])([H])C3=C(C([H])=C([H])C([H])=C3[H])[C@]21[H]	13
[H]OC1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	5.1
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP([O-])(=O)O[H])[C@@]1([H])O[H])N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O	450
[H]O[C@@]12O[C@@](N([H])C(=O)[C@]3([H])C([H])=C4C5=C([H])C([H])=C([H])C6=C5C(=C(Br)N6[H])C([H])([H])[C@@]4([H])N(C([H])([H])[H])C3([H])[H])(C(=O)N1[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]21[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]	340
[H]C1=C([H])C2=C(C([H])=C1[H])N(C1=C([H])C(Cl)=C([H])C([H])=C1S2)C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	16.15
CCCCN1CCC(COC(=O)C2=CC(OC)=C(N)C=C2)CC1	1272
CCCCN1CCC(COC(=O)C2=C3OCCOC3=C(NC)C(Cl)=C2)CC1	43
CCCCN1CCC(COC(=O)C2=C3OCCOC3=C(N)C(F)=C2)CC1	316
[H]N(C(=O)C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=N2)C([H])([H])C1([H])[H]	11.29
FC1=CC=C(C=C1)C(=O)NCCN1CCN(CC1)C1=CC=C(Cl)C=C1	1.76
CC1=CC=C(C=C1)N1CCN(CCNC(=O)C2=CC=C(F)C=C2)CC1	2.64
FC1=CC=C(C=C1)C(=O)NCCN1CCN(CC1)C1=NOC2=C1C=CC=C2	0.34
FC1=CC=C(C=C1)C(=O)NCCN1CCN(CC1)C1=CC=C(C=C1)C#N	32.71
FC1=CC=C(C=C1)C(=O)NCCN1CCN(CC1)C1=NC=CC=C1C#N	0.93
FC1=CC=C(C=C1)C(=O)NCCN1CCN(CC1)C1=CC=C(Cl)C=N1	2.92
[H]N(C(=O)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	4.97
[H]N(C(=O)C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H]	9.21
COC1=CC(=CC=C1)C(=O)NCCN1CCN(CC1)C1=NOC2=C1C=CC=C2	1.93
COC1=CC(=CC=C1)C(=O)NCCN1CCN(CC1)C1=CC=C(C=C1)C#N	63.95
COC1=CC(=CC=C1)C(=O)NCCN1CCN(CC1)C1=NC=CC=C1C#N	1.52
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C3=C([H])C([H])=C([H])C(Cl)=C3Cl)C([H])([H])C1([H])[H])C([H])=C2[H]	385
[H]OC1=C([H])C(O[H])=C2C3=C(O[H])C([H])=C(O[H])C4=C3C3=C5C2=C1C(=O)C1=C5C(=C(C([H])=C1O[H])C([H])([H])[H])C1=C(C([H])=C(O[H])C(C4=O)=C31)C([H])([H])O[H]	1370.5
[H]OC1=C([H])C(O[H])=C2C(=O)C(O[H])=C(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	7846
[H]N1C2=C(N=C3C([H])=C([H])C([H])=C([H])C3=C1N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])=C([H])C(Cl)=C2[H]	25.5
[H]OC1=C([H])C([H])=C2C(=C1O[H])C([H])([H])C1=C3C(=C([H])C([H])=C1[H])C([H])([H])N([H])C([H])([H])[C@@]23[H]	60
[H][C@]12CNCc3c(C)ccc(Cc4c(O)c(O)ccc14)c23	83
[H][C@]12CN(CC=C)Cc3c(C)ccc(Cc4c(O)c(O)ccc14)c23	63
[H][C@]12CN(CCC)Cc3c(C)ccc(Cc4c(O)c(O)ccc14)c23	28
[H][C@]12CNCc3ccc(C)c(Cc4c(O)c(O)ccc14)c23	220
[H][C@]12CN(CC=C)Cc3cccc(Cc4c(O)c(O)ccc14)c23	48
[H][C@]12CN(CCC)Cc3cccc(Cc4c(O)c(O)ccc14)c23	17
[H]N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C([H])=C([H])C([H])=C3OC3=C2C([H])=C(Cl)C([H])=C3[H])C([H])([H])C1([H])[H]	92
[H]N(C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	848
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C1=C(N=C2N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C(F)C([H])=C1[H]	130
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])N2C3=C(SC4=C2C([H])=C(C([H])=C4[H])C(F)(F)F)C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	9.3
[H]C1=C([H])C([H])=C2N=C(N3C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])C3=C(OC2=C1[H])C([H])=C([H])C(Cl)=C3[H]	12
[H]C1=C([H])C(=C([H])C([H])=C1F)C(=O)C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])[H]	230
[H]C1=C([H])C([H])=C2N(C3=C(SC2=C1[H])C([H])=C([H])C(=C3[H])[S@](=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	13.4
[H]N1C2=C([H])C([H])=C([H])C([H])=C2N=C2SC(=C([H])C2=C1N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	12.3
[H]OC1(C2=C([H])C([H])=C(Cl)C(=C2[H])C(F)(F)F)C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	31
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C1=C(C([H])=C([H])C([H])=C1[H])C(=N2)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	7.9
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C([H])=C([H])C([H])=C3SC3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	1582
[H]C1=C([H])C(F)=C([H])C2=C1C(=NO2)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C2=C(N=C3N(C2=O)C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	12.05
[H]\C(=C1/C2=C([H])C([H])=C([H])C([H])=C2C([H])=NC2=C1C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	20
[H]\C(C#N)=C1\C2=C([H])SC([H])=C2N=C(N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C2=C([H])SC([H])=C12	721
[H]\C(=C1/C2=C([H])C([H])=C([H])C([H])=C2SC2=C1C([H])=C(C([H])=C2[H])S(=O)(=O)N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	77
[H]C1=C([H])C([H])=C2C(SN=C2N2C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N3C(=O)C([H])([H])C4(C([H])([H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])C3=O)C([H])([H])C2([H])[H])=C1[H]	13.6
[H]C1=C([H])C([H])=C2N(C3=C(SC2=C1[H])C([H])=C([H])C(=C3[H])C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	19
[H]C1=C([H])C([H])=C2C([H])=C(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C3=C(SC2=C1[H])C([H])=C([H])C(Cl)=C3[H]	5.8
[H]OC1=C(C(=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])OC2=C([H])C3=C(C([H])=C2[H])C([H])([H])C([H])([H])C(=O)N3[H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H]	120
[H]OC1=C(C([H])=C(Cl)C(OC([H])([H])[H])=C1C(=O)N([H])C([H])([H])[C@@]1([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H]	64
[H]N1C(=O)C([H])=C([H])C2=C1C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C3=C([H])C([H])=C([H])C(=C3C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])=C2[H]	280
[H]N(C(=O)C1=C(OC([H])([H])[H])C([H])=C([H])C(Br)=C1OC([H])([H])[H])C([H])([H])[C@@]1([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]	2800
[H]N1C(=O)N(C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])(C3=C([H])N(C4=C([H])C([H])=C(Cl)C([H])=C34)C3=C([H])C([H])=C(F)C([H])=C3[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	10.1
[H]C1=C([H])C(=C([H])C([H])=C1F)[S@](=O)C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	35
[H]C1=C([H])C(=C([H])C([H])=C1F)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	7.8
[H]C1=C([H])C(SC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C2([H])[H])=C([H])C([H])=C1F	8.7
[H]C1=C([H])C(SC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(C([H])=C3[H])C(F)(F)F)C([H])([H])C2([H])[H])=C([H])C([H])=C1F	89
[H]C1=C([H])C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C2([H])[H])=C([H])C([H])=C1F	6.9
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	7.4
[H]C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C2([H])[H])C([H])=C1[H]	5.6
[H]C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C([H])=C1[H]	4.5
[H]C1=NC(=NC([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	6.5
[H]C1=NC(=NC([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	6.2
[H]C1=NC(=NC([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	21
[H]C1=NC(=NC([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	4.2
[H]C1=C([H])C([H])=C([H])C(=N1)N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	3.5
[H]C1=C([H])C([H])=C([H])C(=N1)N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	5.7
[H]C1=C([H])C([H])=C([H])C(=N1)N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	1.8
[H]OC1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	1.5
[H]OC1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	247.8
[H]OC1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	2.4
[H]C1=C([H])C(SC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C2([H])[H])=C([H])C([H])=C1F	39
[H]C1=C([H])C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C2([H])[H])=C([H])C([H])=C1F	9.5
[H]O[C@@]1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[C@@]2([H])N(C([H])([H])C([H])([H])C([H])([H])OC3=C([H])C([H])=C(F)C([H])=C3[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H]	49
[H]O[C@]1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[C@@]2([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3=C([H])C([H])=C(F)C([H])=C3[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H]	9.4
[H]C1=C2C(=C([H])C(F)=C1[H])C([H])([H])[C@]([H])(C2=O)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])C1([H])[H]	37
[H]C1=C([H])C(SC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C([H])([H])C2([H])[H])=C([H])C([H])=C1F	32.1
[H]C1=C([H])C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C([H])([H])C2([H])[H])=C([H])C([H])=C1F	110
[H]C1=C([H])C(=C([H])C([H])=C1F)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])C1([H])[H]	123
[H]C1=C([H])C2=C(N=C(S2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	28.6
[H]C1=C([H])C2=C(N=C(S2)C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	431
[H]C1=C([H])C2=C(N=C(S2)C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	1215
[H]C1=C([H])C2=C(N=C(S2)C(=O)C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	126
[H]O[C@]1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[C@@]2([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C3=NC4=C(S3)C([H])=C([H])C([H])=C4[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H]	508
[H]O[C@]1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[C@@]2([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3=NC4=C(S3)C([H])=C([H])C([H])=C4[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H]	432
[H]C1=NN2C([H])=C([H])C([H])=C([H])C2=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	2.6
[H]N1C2=C(C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C3=NC([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H])C([H])=C(F)C([H])=C2[H]	29
[H]N1C(=O)N(C2=C([H])C([H])=C(Cl)C([H])=C12)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C2=NC3=C([H])C([H])=C([H])C([H])=C3S2)C([H])([H])C1([H])[H]	1710
[H]N1C(=O)C2(N(C3=C([H])C([H])=C([H])C([H])=C3[H])C1([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C1=NC3=C([H])C([H])=C([H])C([H])=C3S1)C([H])([H])C2([H])[H]	162
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C1=NC3=C([H])C([H])=C([H])C([H])=C3S1)C2([H])[H]	512
[H]C1=C([H])C([H])=C2N=C(SC2=C1[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	100
[H]C1=NC(=NC([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C2=NC3=C([H])C([H])=C([H])C([H])=C3S2)C([H])([H])C1([H])[H]	346
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C2=NC3=C([H])C([H])=C([H])C([H])=C3S2)C([H])([H])C1([H])[H]	105
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C2=NC3=C([H])C([H])=C([H])C([H])=C3S2)C([H])([H])C1([H])[H]	180
[H]C1=C([H])C([H])=C2N=C(SC2=C1[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	31
[H]C1=C([H])C([H])=C2N=C(SC2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	4
[H]OC1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2=NC3=C([H])C([H])=C([H])C([H])=C3S2)C([H])([H])C1([H])[H]	140
[H]C1=NC(=NC([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2=NC3=C([H])C([H])=C([H])C([H])=C3S2)C([H])([H])C1([H])[H]	0.8
[H]C1=C([H])C([H])=C2N=C(SC2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	65.5
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1=NC3=C([H])C([H])=C([H])C([H])=C3S1)C2([H])[H]	141
[H]C1=C([H])C([H])=C2N=C(SC2=C1[H])C(=O)C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	342
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=NC3=C([H])C([H])=C([H])C([H])=C3S2)C([H])([H])C1([H])[H]	44.4
[H]C1=NC(=NC([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=NC3=C([H])C([H])=C([H])C([H])=C3S2)C([H])([H])C1([H])[H]	51.5