smile	binding.affinity
[H]OC1=C(C(=O)N([H])C([H])([H])C([H])([H])[H])C(O[H])=C(C([H])=C1C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]	8000
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C([H])=C(Cl)C(=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	701.5
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C(=O)C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])=C(O[H])C([H])=C1O[H]	210
[H]OC1=C([H])C(=C([H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C1C(=O)C([H])([H])C([H])([H])C1=C([H])C([H])=C2OC([H])=C([H])C2=C1[H])C([H])([H])[H]	139
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	5150
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])N2C(=O)N(C(=O)C2([H])[H])C(C2=C([H])C([H])=C([H])C([H])=C2[H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	6251
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])N2C(=O)N(C([H])([H])[H])C([H])([H])C2=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	83
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C3C([H])=C([H])C([H])=C([H])C3=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(=C1[H])C([H])([H])C([H])([H])[H]	7545
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C3OC([H])([H])C([H])([H])OC3=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(=C1[H])C([H])([H])C([H])([H])[H]	6280
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(Cl)=C1[H]	4640
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C3C([H])=C([H])C([H])=C([H])C3=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(F)=C1[H]	3690
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C3OC([H])([H])C([H])([H])OC3=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(Cl)=C1[H]	3750
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2=C([H])SC([H])=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(=C1[H])C([H])([H])[H]	1380
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(=C1[H])C([H])([H])[H]	1080
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C(=C([H])C(N([H])[H])=C2C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C3C([H])=C([H])C([H])=C([H])C3=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	9890
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C3C([H])=C([H])C([H])=C([H])C3=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(=C1[H])C([H])([H])[H]	1320
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2=C([H])OC([H])=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(=C1[H])C([H])([H])[H]	4380
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C3C([H])=C([H])C([H])=C([H])C3=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(Cl)=C1[H]	4780
[H]OC1=C(C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C(=C1[H])C([H])([H])[H]	1570
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C3C(N([H])C([H])=C3C([H])([H])C([H])([H])C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])=C([H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	611
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C3C(N([H])C([H])=C3C([H])([H])C([H])([H])C3=C([H])C([H])=C4OC([H])([H])C([H])([H])C4=C3[H])=C([H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	145
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C3C(N([H])C([H])=C3C([H])([H])C([H])([H])C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])=C([H])C(=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3050
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C3C(=C([H])C([H])=C2[H])N(C([H])=C3C([H])([H])C([H])([H])C2=C([H])C([H])=C3OC([H])([H])C([H])([H])C3=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	198
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C3N(C([H])=NC3=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C2=C([H])C([H])=C3OC([H])([H])C([H])([H])C3=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	718
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C([H])C3=C2C(=C([H])N3[H])C([H])([H])C([H])([H])C2=C([H])C([H])=C3C([H])=C([H])C([H])=C([H])C3=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1100
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C([H])C3=C2C(=C([H])N3[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1510
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C([H])C3=C2C(=C([H])N3[H])C([H])([H])C2=C([H])C([H])=C(SC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	2890
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C([H])C3=C2C(=C([H])N3[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	4390
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C([H])C3=C2C(=C([H])N3[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	2140
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C([H])C3=C2C(=C([H])N3[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])C([H])=C([H])N=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1970
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C([H])C3=C2C(=C([H])N3[H])C([H])([H])C([H])([H])C2=C([H])C([H])=C3OC([H])([H])C([H])([H])OC3=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3610
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C([H])C3=C2C(=C([H])N3[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3200
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C([H])C3=C2C(=C([H])N3[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])SC([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	2240
[H]OC(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])S[H])C([H])([H])C([H])([H])C1([H])[H]	2.1
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])S[H]	2
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C(=O)N([H])[H]	0.17
[H]OC(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C1([H])[H]	0.16
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])C([H])([H])C1=NN=C(N1C([H])([H])C1([H])C([H])([H])C1([H])[H])C([H])([H])N1C(=O)C([H])([H])OC2=C([H])C([H])=C(Cl)C([H])=C12	9540
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])C([H])([H])C1=NN=C(N1C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])OC2=C(Cl)C([H])=C(Cl)C([H])=C12	9140
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])C([H])([H])C1=NN=C(N1C([H])([H])C([H])([H])C(F)(F)F)C([H])([H])N1C(=O)C([H])([H])OC2=C(Cl)C([H])=C(Cl)C([H])=C12	7645
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])SC2=C([H])C([H])=C(C([H])=C12)C(F)(F)F	7000
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C([H])([H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])SC2=C([H])C([H])=C(C([H])=C12)C(F)(F)F	4750
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])SC2=C([H])C([H])=C(C([H])=C12)C(F)(F)F	2000
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C1([H])C([H])([H])C1([H])[H])C([H])([H])N1C(=O)C([H])([H])SC2=C([H])C([H])=C(C([H])=C12)C(F)(F)F	3750
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(SC([H])([H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])=NN=C1C([H])([H])N1C(=O)C([H])([H])SC2=C([H])C([H])=C(C([H])=C12)C(F)(F)F	3470
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C([H])([H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])OC2=C([H])C([H])=C(C([H])=C12)C(F)(F)F	6640
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C([H])([H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])OC2=C([H])C([H])=C(C([H])=C12)[N+]([O-])=O	5610
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C([H])([H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])OC2=C([H])C([H])=C(Br)C([H])=C12	5320
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C([H])([H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])OC2=C([H])C([H])=C(Cl)C([H])=C12	7340
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C([H])([H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])OC2=C([H])C([H])=C(C([H])=C12)C([H])([H])[H]	7130
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C([H])([H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])OC2=C([H])C(Cl)=C([H])C([H])=C12	3290
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NN=C(N1C([H])([H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])OC2=C([H])C(Br)=C([H])C([H])=C12	2530
[H]C1=C([H])C(Cl)=C2OC([H])([H])C(=O)N(C2=C1[H])C([H])([H])C1=NN=C(SC([H])([H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])N1C([H])([H])C([H])([H])[H]	7340
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])C([H])([H])C1=NN=C(N1C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])N1C(=O)C([H])([H])OC2=C([H])C([H])=C(C([H])=C12)C(F)(F)F	9880
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(Cl)=C3[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1300
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(Cl)=C3[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	200
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(Cl)=C3[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1550
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(Cl)=C3[H])C([H])([H])C2=C([H])C([H])=C(OC(F)(F)F)C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3100
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(F)=C3[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	5300
[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2(OC([H])([H])C3=C(C(Cl)=C([H])C([H])=C23)C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])O[C@]1([H])C([H])([H])N=[N+]=[N-]	1000
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C(C(Cl)=C([H])C([H])=C23)C(F)(F)C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1600
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C(C(Cl)=C([H])C([H])=C23)C2(C3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	6000
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(Cl)=C3[H])C([H])([H])C2=C(C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1000
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(Cl)=C3[H])C([H])([H])C2=C(C([H])=C(F)C([H])=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1000
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(Cl)=C3[H])C([H])([H])C2=C(F)C(=C([H])C([H])=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1500
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(Cl)=C3[H])C([H])([H])C2=C(OC([H])([H])[H])C(=C([H])C([H])=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1000
[H]O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@]2(OC([H])([H])C3=C(C(Cl)=C([H])C([H])=C23)C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]1([H])O[H])C([H])([H])F	700
[H]O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@]2(OC([H])([H])C3=C(C(Cl)=C([H])C([H])=C23)C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]1([H])O[H])C([H])([H])OC([H])([H])[H]	2700
[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2(OC([H])([H])C3=C(C(Cl)=C([H])C([H])=C23)C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])O[C@]1([H])C([H])([H])OC(=O)C([H])([H])[H]	3500
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC3=C(C([H])=C(C(Cl)=C3[H])C([H])([H])C3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])C([H])([H])[H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	620
[H]O[C@]1([H])[C@]([H])(OC([H])([H])[H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]1([H])O[H]	2250
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2C([H])([H])OC([H])([H])C#C[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1000
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2C([H])([H])C([H])([H])OC([H])([H])[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	2000
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C([H])=C(Cl)C(=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	360.9
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2C([H])([H])OC([H])([H])C([H])([H])F)C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	5000
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C([H])=C(Cl)C(=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	156.5
[H]OC([H])([H])C1(O[C@@]([H])(C2=C([H])C([H])=C(Cl)C(=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H])C([H])([H])O[H]	6800
[H]O[C@@]1([H])[C@@]([H])(O[C@@]2(OC([H])([H])C([H])([H])C2([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H])C1=C([H])C([H])=C(C(=C1[H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[H])C([H])([H])[H]	1100
[H]OC([H])([H])[C@@]1([H])S[C@@]([H])(C2=C([H])C([H])=C(C(=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	671
[H]OC([H])([H])[C@@]1([H])S[C@@]([H])(C2=C([H])C([H])=C(F)C(=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	7960
[H]OC([H])([H])[C@@]1([H])S[C@@]([H])(C2=C([H])C([H])=C(OC([H])([H])[H])C(=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	565
[H]OC([H])([H])[C@@]1([H])S[C@@]([H])(C2=C(OC([H])([H])[H])C([H])=C(Cl)C(=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3340
[H]OC([H])([H])[C@@]1([H])S[C@@]([H])(C2=C(OC([H])([H])[H])C([H])=C(C(=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3990
[H]OC([H])([H])[C@@]1([H])S[C@@]([H])(C2=C([H])C([H])=C(Cl)C(=C2[H])C([H])([H])C2=C([H])C([H])=C(SC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	391
[H]OC([H])([H])[C@@]1([H])S[C@@]([H])(C2=C([H])C([H])=C(Cl)C(=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	4381
[H]OC([H])([H])[C@@]1([H])S[C@@]([H])(C2=C([H])C([H])=C(Cl)C(=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	260
[H]OC([H])([H])[C@@]1([H])S[C@@]([H])(C2=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C(=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	4270
[H]OC1=C(C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H])[C@]1([H])S[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]	4040
[H]OC([H])([H])[C@@]1([H])S[C@@]([H])(C2=C([H])C([H])=C(Cl)C(=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1210
[H]O[C@@]1([H])[C@@]([H])(O[C@]2(C([H])([H])C2([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H])C1=C([H])C([H])=C(C(=C1[H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[H])C([H])([H])[H]	190
[H]O[C@@]1([H])[C@@]([H])(O[C@]2(C([H])([H])C2([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H])C1=C([H])C([H])=C(C(=C1[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H]	370
[H]O[C@@]1([H])[C@@]([H])(O[C@]2(C([H])([H])OC2([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H])C1=C([H])C([H])=C(C(=C1[H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[H])C([H])([H])[H]	1500
[H]O[C@@]1([H])[C@@]([H])(O[C@]2(C([H])([H])OC2([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H])C1=C([H])C([H])=C(C(=C1[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H]	1540
[H]O[C@@]1([H])[C@@]([H])(O[C@]2(C([H])([H])OC2([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H])C1=C([H])C([H])=C(Cl)C(=C1[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	9600
[H]O[C@@]1([H])[C@@]([H])(O[C@]2(C([H])([H])OC2([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H])C1=C([H])C([H])=C(Cl)C(=C1[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H]	5600
[H]\C(=C1/C([H])([H])[N@+]2([O-])[C@@]3([H])O[C@]45N(C6=C(C([H])=C(OC([H])([H])[H])C([H])=C6[H])[C@@]4(C3([H])[H])[C@@](C(=O)OC([H])([H])[H])(C([H])([H])OC(=O)C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])[C@@]1([H])C([H])([H])[C@]25[H])C([H])([H])[H])C([H])([H])[H]	4000
[H]\C(=C(\[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)OC([H])([H])[C@@]1(C(=O)OC([H])([H])[H])[C@]2([H])\C(=C(\[H])C([H])([H])[H])C([H])([H])N3[C@@]4([H])O[C@@]5(N(C6=C(C([H])=C(OC([H])([H])[H])C([H])=C6[H])[C@@]15C4([H])[H])C([H])([H])[H])[C@]3([H])C2([H])[H]	5000
[H]\C(=C1/C([H])([H])N2[C@@]3([H])O[C@]45N(C6=C(C([H])=C(OC([H])([H])[H])C([H])=C6[H])[C@@]4(C3([H])[H])[C@@](C(=O)OC([H])([H])[H])(C([H])([H])OC(=O)C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C3[H])[C@@]1([H])C([H])([H])[C@]25[H])C([H])([H])[H])C([H])([H])[H]	4000
[H]\C(=C1/C([H])([H])N2[C@@]3([H])O[C@]45N(C6=C(C([H])=C(OC([H])([H])[H])C([H])=C6[H])[C@@]4(C3([H])[H])[C@@](C(=O)OC([H])([H])[H])(C([H])([H])OC(=O)C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])[C@@]1([H])C([H])([H])[C@]25[H])C([H])([H])[H])C([H])([H])[H]	5000
[H]\C(=C1/C([H])([H])[N@+]2([O-])[C@@]3([H])O[C@]45N(C6=C(C([H])=C(OC([H])([H])[H])C([H])=C6[H])[C@@]4(C3([H])[H])[C@@](C(=O)OC([H])([H])[H])(C([H])([H])OC(=O)C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C3[H])[C@@]1([H])C([H])([H])[C@]25[H])C([H])([H])[H])C([H])([H])[H]	5000
CC1=C(CC2=CC=C(S2)C2=CC=C(F)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1	910
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(N2C([H])=C(C3=C2C([H])=C([H])C([H])=C3Cl)C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]1([H])O[H]	229.5
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(N2C([H])=C(C3=C2C([H])=C([H])C([H])=C3Cl)C([H])([H])C2=C([H])C([H])=C3OC([H])([H])C([H])([H])OC3=C2[H])[C@]([H])(O[H])[C@@]1([H])O[H]	305.9
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(N2C([H])=C(C3=C2C([H])=C([H])C([H])=C3Cl)C([H])([H])C2=C([H])C([H])=C(SC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]1([H])O[H]	461.6
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(N2C([H])=C(C3=C2C([H])=C([H])C([H])=C3Cl)C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])N(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H]	628.8
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(N2C([H])=C(C3=C2C([H])=C([H])C([H])=C3Cl)C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C2([H])C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H]	286.3
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])N(C2=C1C(Cl)=C([H])C([H])=C2[H])[C@]1([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]	233.9
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(N2C([H])=C(C3=C2C([H])=C([H])C([H])=C3Br)C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C2([H])C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H]	327.3
[H]OC([H])([H])[C@]12O[C@@](OC1([H])[H])(C1=C([H])C(=C(Cl)C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H]	5980
[H]OC([H])([H])[C@]12O[C@@](OC1([H])[H])(C1=C([H])C(=C(Cl)C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H]	5273
[H]OC([H])([H])[C@]12O[C@@](OC1([H])[H])(C1=C([H])C(=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H]	958
[H]OC([H])([H])[C@]12O[C@@](OC1([H])[H])(C1=C([H])C(=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H]	506
[H]OC([H])([H])[C@@]1([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	6700
[H]OC([H])([H])[C@@]1([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	6700
[H]OC([H])([H])[C@@]1([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C2=C([H])C([H])=C(C([H])=C([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3300
[H]OC([H])([H])[C@@]1([H])C([H])([H])[C@@]([H])(OC2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C2=C([H])C([H])=C(SC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3500
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C2(O[H])C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(C#N)C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	10
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(C#C[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	9.6
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	4.4
[H]OC(=O)C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C(Cl)C([H])=C([H])C(=C1[H])[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]	93
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C#CC3([H])C([H])([H])C3([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	9.6
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])OC([H])([H])C#C[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	8
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])OC3(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3
[H]OC([H])([H])C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C(Cl)C([H])=C([H])C(=C1[H])[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]	428
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1Cl)[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]	9.4
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])OC3([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	4
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(Cl)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])=C([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	6
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C(=O)C1=C(O[H])C([H])=C(O[H])C([H])=C1O[C@]1([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C1([H])[H]	2600
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(C2=C([H])N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])[C@]([H])(O[H])[C@@]1([H])O[H]	7242.5
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(C2=C([H])N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]1([H])O[H]	2491
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(C2=C([H])N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H]	3208
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(C2=C([H])N(C3=C([H])C([H])=C([H])C(F)=C23)C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]1([H])O[H]	6427
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(C2=C([H])N(C3=C(F)C([H])=C([H])C([H])=C23)C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]1([H])O[H]	550
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(C2=C([H])N(C3=C(F)C([H])=C([H])C([H])=C23)C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C2([H])C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H]	282
[H]O[C@]1([H])C([H])([H])O[C@@]([H])(C2=C([H])N(C3=C(C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C2([H])C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H]	55
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(=C(C([H])=C2[H])C([H])([H])[H])C([H])([H])C2=C([H])C([H])=C(S2)C2=C([H])C([H])=C(F)C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1900
[H]OC([H])([H])[C@@]1([H])C([H])([H])[C@@]([H])(C2=C([H])C([H])=C(OC([H])([H])[H])C(=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	510
[H]OC([H])([H])[C@@]1([H])C([H])([H])[C@@]([H])(C2=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C(=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	4500
[H]OC([H])([H])[C@@]1([H])C([H])([H])[C@@](O[H])(C2=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C(=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	8600
[H]OC1=C([H])C([H])=C(C(=C1[H])C([H])([H])[H])C([H])([H])C1=C(N([H])N=C1O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C([H])(C([H])([H])[H])C([H])([H])[H]	320
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C(C([H])=C2C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	246
[H]OC1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C1=C(N([H])N=C1O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C([H])(C([H])([H])[H])C([H])([H])[H]	1230
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1330
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C(C#N)C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	4310
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C(N([H])N=C1O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C([H])(C([H])([H])[H])C([H])([H])[H]	207
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	689
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	223
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	94
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1190
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C#N)C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	7170
[H]OC1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C1=C(N([H])N=C1O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C([H])(C([H])([H])[H])C([H])([H])[H]	9520
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	7280
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	675
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C(F)(F)F)C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	2430
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	725
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2F)C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	298
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	738
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C2([H])C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	278
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	203
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	183
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	871
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C(F)(F)F)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	37
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C(OC([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C2[H])C(F)(F)F)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	8930
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C(OC([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2[H])C(F)(F)F)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1720
[H]OC1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C1=C(N([H])N=C1O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C(F)(F)F	4310
[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])C1=C(N([H])N=C1O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C(F)(F)F	1940
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C(N([H])N=C1O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C(F)(F)F	500
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=NN([H])C(=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C(F)(F)F)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	442
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(=C3[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	5132
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(C#C[H])=C3[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	388
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C(=C3[H])C([H])([H])[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	126
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C([H])=C3[H])C([H])([H])C2=C([H])C([H])=C(SC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	5902
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C([H])=C3[H])C([H])([H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	6281
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C2=C(C([H])=C1[H])C([H])([H])O[C@]21O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]	4987
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C([H])=C3[H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C2([H])C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	8444
[H]OC([H])([H])[C@@]1([H])O[C@]2(OC([H])([H])C3=C2C([H])=C(C([H])=C3[H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	8482
OC[C@@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC(NC(=O)CBr)=C(O)C=C2)[C@@H](O)[C@@H](O)[C@@H]1O	7700
OC[C@@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC(NC(=O)CI)=C(O)C=C2)[C@@H](O)[C@@H](O)[C@@H]1O	7000
OC[C@@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC(\N=C\C3=CC=C(C=C3)[N+]([O-])=O)=C(O)C=C2)[C@@H](O)[C@@H](O)[C@@H]1O	5300
COC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C1	1680
NC1=C(O)C=CC(CCC(=O)C2=C(O)C=C(O)C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)=C1	3800
CC(C)C1=C(CC2=CC=C(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	19
CC(C)C1=C(CC2=CC=C(CCCC(=O)NC(C)(C)C(=O)NCC(N)=O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	103
CC(C)C1=C(CC2=CC=C(CCCC(=O)NC(C)(C)C(=O)NCCO)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	70
CC(C)C1=C(CC2=CC=C(CCCC(=O)NC(C)(C)C(=O)N3CCOCC3)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	124
CC(C)C1=C(CC2=CC=C(CCCC(=O)NC(C)(C)C(=O)N3CCCCC3)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	25
CC(C)C1=C(CC2=CC=C(CCCC(=O)NCC(N)=O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	408.5
CC(C)C1=C(CC2=CC=C(CCCC(=O)NCCCO)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	170
CC(C)C1=C(CC2=CC=C(CCCC(=O)N(C)CCO)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	217
CC(C)C1=C(CC2=CC=C(CCCCC(N)=O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	1030
CC(C)C1=C(CC2=CC=C(CCCC(N)=O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	351
CC(C)C1=C(CC2=CC=C(CCC(N)=O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	1990
CC(C)C1=C(CC2=CC=C(CC(N)=O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	6170
CC(C)C1=C(CC2=CC=C(C=C2)C(N)=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	1470
CC(C)C1=C(CC2=C(C)C=C(CCCC(=O)NC(C)(C)C(=O)N3CCNCC3)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	11
CC(C)C1=C(CC2=CC=C(NC(=O)CCN)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	446
CC(C)C1=C(CC2=CC=C(NC(=O)CN)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	831
CC(C)C1=C(CC2=CC=C(N)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	422
CC(C)C1=C(CC2=CC=C(NC(C)=O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	392
CCC(=O)NC1=CC=C(CC2=C(NN=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)C)C=C1	724
CCCC(=O)NC1=CC=C(CC2=C(NN=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)C)C=C1	1500
CC(C)C1=C(CC2=CC=C(NS(C)(=O)=O)C=C2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NN1	931