smile	binding.affinity
CCCCCCCCCC1=CC=C(C=C1)B(O)O	7900
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[H]	2820
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])[H]	5890
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1C([H])(C([H])([H])[H])C([H])([H])[H]	7860
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	2880
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	2120
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H]	6920
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	6600
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	5750
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1F	4470
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C(F)=C1[H]	2390
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(F)C([H])=C1[H]	5180
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1Cl	4170
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C(Cl)=C1[H]	2820
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	7240
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1Br	2920
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C(Br)=C1[H]	4270
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(Br)C([H])=C1[H]	4370
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1I	5010
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C(I)=C1[H]	2240
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(I)C([H])=C1[H]	4340
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1C1=C([H])C([H])=C([H])C([H])=C1[H]	1550
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C(=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2340
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1620
[H]C1=C([H])C(=O)N(C1=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5140
[H]C1=C([H])C(=O)N(C1=O)C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	7610
[H]C1=C([H])C(=O)N(C1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2140
[H]C1=C([H])C(=O)N(C1=O)C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[H]	3550
[H]C1=C([H])C(=O)N(C1=O)C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	790
[H]C1=C([H])C(=O)N(C1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	3120
[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)C([H])=C([H])C1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	930
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C(=C([H])C([H])=C1[H])N1C(=O)C([H])=C([H])C1=O	2030
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]	2690
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H]	2750
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])[H]	2000
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])C([H])([H])[H]	4680
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)C([H])=C([H])C1=O	2220
[H]C1=C([H])C(=O)N(C1=O)C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C(=O)C([H])=C([H])C1=O	1700
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)C([H])=C([H])C1=O	2240
[H]C1=C([H])C(=O)N(C1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)C([H])=C([H])C1=O	1700
[H]C1=C([H])C(=O)N(C1=O)C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N1C(=O)C([H])=C([H])C1=O	1950
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=NN=NN1C(=O)N(C([H])([H])[H])C([H])([H])[H]	54.675
[H]OC(C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H])(C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])C1([H])C([H])([H])C([H])([H])N(C(=O)OC2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	8
[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)C([H])=C([H])C1=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	630
[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[P@](F)(=O)OC([H])([H])[H]	26.3
[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(=O)C(F)(F)F)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	6383.27
[H]C([H])=C([H])C([H])([H])C([H])([H])C(=O)N1C(=O)[C@@]([H])(C1([H])[H])[C@]([H])(OC(=O)C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	1840
[H]C([H])=C([H])C([H])([H])C([H])([H])C(=O)N1C(=O)[C@@]([H])(C1([H])[H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])[H])C([H])([H])[H]	4720
[H]C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N1C(=O)[C@@]([H])(C1([H])[H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	8510
[H]C([H])=C([H])C([H])([H])C([H])([H])C(=O)N1C(=O)[C@@]([H])(C1([H])[H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	4060
[H]N(C(=O)OC1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])SN=N1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	8000
[H]N(C(=O)OC1=C([H])C([H])=C(C([H])=C1[H])C1=NC([H])([H])C([H])([H])S1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	8400
[H]N(C(=O)OC1=C([H])C([H])=C(C([H])=C1[H])C1=NC([H])([H])C([H])([H])S1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	2100
[H]N(C(=O)OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])SN=N1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	1000
[H]N(C(=O)OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	4200
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C(OC(=O)C([H])([H])C2=C([H])C([H])=C(N([H])C3=C([H])C([H])=NC(=C3[H])C(F)(F)F)C([H])=C2[H])C([H])=C1[H]	2300
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C(OC(=O)[C@]([H])(C2=C([H])C([H])=C(N([H])C3=C([H])C([H])=NC(=C3[H])C(F)(F)F)C([H])=C2[H])C([H])([H])[H])C([H])=C1[H]	1900
[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1SC([H])([H])C([H])([H])C1=O	615
[H]C1=C([H])C2=C(C([H])=C1[H])C(=O)N(S2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	1160
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1SC2=C(C([H])=C([H])C([H])=C2[H])C1=O	410
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])S(=O)(=O)OC([H])([H])[H]	5000
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])S(F)(=O)=O)C([H])=C1[H]	156.2
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])S(F)(=O)=O	383.1
[H]OC1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])S(F)(=O)=O	56.1
[H]OC1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])S(F)(=O)=O	190.3
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])S(F)(=O)=O	427.1
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])S(F)(=O)=O	201.3
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])S(F)(=O)=O	116.1
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])S(F)(=O)=O	752.1
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])S(F)(=O)=O	248.9
[H]C1=C([H])C(=C([H])C(=C1SC(=S)N1C([H])([H])C([H])([H])N(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])([H])C1([H])[H])[N+]([O-])=O)[N+]([O-])=O	154.88
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])(N1C([H])([H])C([H])([H])N(C(=S)SC2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	7413.1
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])(N1C([H])([H])C([H])([H])N(C(=S)SC2=C(C([H])=C(C([H])=C2[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	354.81
[H]C1=C([H])C(=C([H])C(=C1SC(=S)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])[N+]([O-])=O)[N+]([O-])=O	1778.28
[H]C1=C([H])C(=C([H])C(=C1SC(=S)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])[N+]([O-])=O)[N+]([O-])=O	4265.8
[H]C1=C([H])C(=C([H])C(=C1SC(=S)N1C([H])([H])C([H])([H])C(=O)C([H])([H])C1([H])[H])[N+]([O-])=O)[N+]([O-])=O	5128.61
[H]C1=C([H])C(=C([H])C(=C1SC(=S)N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])[N+]([O-])=O)[N+]([O-])=O	2398.83
[H]C1=C([H])C(=C([H])C(=C1SC(=S)N1C([H])([H])C([H])([H])SC([H])([H])C1([H])[H])[N+]([O-])=O)[N+]([O-])=O	3715.35
[H]C1=C([H])C(=C([H])C(=C1SC(=S)N1[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])[N+]([O-])=O)[N+]([O-])=O	6025.6
[H]C1=C([H])C(=C([H])C(=C1SC(=S)N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])[N+]([O-])=O)[N+]([O-])=O	3019.95
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C(=S)SC1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)[N+]([O-])=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	2630.27
[H]C1=C([H])C(=C([H])C(=C1SC(=S)N(C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])[N+]([O-])=O)[N+]([O-])=O	1995.26
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C(=S)SC1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])[H]	2187.76
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C(=S)SC1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C([H])([H])[H]	5370.32
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C([H])([H])N(C(=S)SC1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)[N+]([O-])=O)C2([H])[H]	7079.46
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C(=S)SC1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5011.87
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C(=S)SC2=C(C([H])=C(C([H])=C2[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C1([H])[H]	7762.47
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=S)SC2=C(C([H])=C(C([H])=C2[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C1([H])[H]	1000
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C(=S)SC2=C(C([H])=C(C([H])=C2[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C1([H])[H]	831.76
[H]\C(=C(\[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=S)SC2=C(C([H])=C(C([H])=C2[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	977.24
[H]C1=C([H])C([H])=C(C([H])=C1[H])[C@]([H])(N1C([H])([H])C([H])([H])N(C(=S)SC2=C(C([H])=C(C([H])=C2[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C1([H])[H])C([H])([H])[H]	812.83
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=S)SC2=C(C([H])=C(C([H])=C2[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C1([H])[H]	1778.28
[H]C1=C([H])C(=C([H])C([H])=C1Br)C([H])([H])N1C([H])([H])C([H])([H])N(C(=S)SC2=C(C([H])=C(C([H])=C2[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C1([H])[H]	436.52
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[N+]([O-])=O)N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	19
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[N+]([O-])=O)N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	41
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[N+]([O-])=O)N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]	234
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C(=C2[H])C(=O)N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	141
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C(=C2[H])C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	162
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C(=C2[H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	38
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C(=C2[H])C(=O)N(C([H])([H])[H])C([H])([H])[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	63
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	20
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)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]	32
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C([H])=C2[N+]([O-])=O)C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	955
[H]N(C(=O)C1=C([H])C([H])=C(N2C([H])([H])C([H])([H])N(C(=O)N3N=NC4=C([H])C([H])=C([H])C([H])=C34)C([H])([H])C2([H])[H])C(=C1[H])[N+]([O-])=O)C([H])(C([H])([H])[H])C([H])([H])[H]	372
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[N+]([O-])=O)C([H])([H])C1([H])[H]	224
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])[H])C([H])([H])C1([H])[H]	71
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2F)C([H])([H])C1([H])[H]	30
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])(N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	38.12
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	6
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	33
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	23
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	62
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	7
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	13
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C(=C([H])C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	213
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C(=C([H])C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	36
[H]OC(=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	676
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C(=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	8
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C(Cl)=C2[H])C([H])([H])C1([H])[H]	2
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	12
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(Br)C([H])=C2[H])C([H])([H])C1([H])[H]	9
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	11
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	10
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	3
[H]\C(=C(\[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	33
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	8
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C(=O)N2N=NC3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	21
[H]C1=C([H])C([H])=C2N(N=NC2=N1)C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])C([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	4
[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)C([H])([H])C([H])([H])C1=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	1122.02
[H]N(C(=O)OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C(C([H])=C(C([H])=C1[H])N1N=C(OC([H])([H])[H])OC1=O)C([H])([H])[H]	20.42
[H]C([H])([H])C([H])([H])N(SSN(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	7943.28
[H]C1([H])N(SSN2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	9549.93
[H]C([H])([H])N(C(=S)SC(=S)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	6456.54
[H]C1([H])N(C(=S)SSC(=S)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	812.83
[H]C([H])([H])C([H])([H])N(C(=S)SSC(=S)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	5474.96
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C(=S)SSC(=S)N(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	9549.93
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C([H])([H])N(C(=S)SSC(=S)N1C([H])([H])C3=C(C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H])C2([H])[H]	346.74
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C(=S)SSC(=S)N(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	4073.8
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C(=S)SSC(=S)N(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	436.52
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N2C(=S)SSC(=S)N1C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C1([H])[H]	741.31
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C(=S)SSC(=S)N(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	741.31
[H]C([H])([H])N(C(=S)SSC(=S)N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	141.25
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=S)SSC(=S)N2C([H])([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	5011.87
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C(=S)SSC(=S)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])([H])C1([H])[H]	489.78
[H]C1([H])N(C(=S)SSC(=S)N2C([H])([H])C([H])([H])N(C([H])([H])C2([H])[H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])N(C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	165.96
[H]C([H])([H])N1C([H])([H])C([H])([H])N(C(=S)SSC(=S)N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	109.65
[H]C1([H])SC([H])([H])C([H])([H])N(C(=S)SSC(=S)N2C([H])([H])C([H])([H])SC([H])([H])C2([H])[H])C1([H])[H]	316.23
[H]C1([H])OC([H])([H])C([H])([H])N(C(=S)SSC(=S)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C1([H])[H]	218.78
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C(=S)SSC(=S)N2C([H])([H])C([H])([H])C([H])(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	6918.31
[H]C([H])([H])C1([H])C([H])([H])C([H])([H])N(C(=S)SSC(=S)N2C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	269.15
[H]C1([H])N(C(=S)SSC(=S)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	316.23
[H]C1([H])N(C(=S)SSC(=S)N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C1([H])[H]	912.01
[H]C([H])([H])N(C(=S)SSC(=S)N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	977.24
[H]C([H])([H])C([H])([H])N(C(=S)SSC(=S)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	1258.93
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[C@@]1([H])OC1([H])[H]	6603.465
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[C@]1([H])OC1([H])[H]	1831.045
[H]\C(=C(\[H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)OC([H])([H])[C@]1([H])OC1([H])[H]	5114.305
[H]\C(=C(\[H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)OC([H])([H])[C@]1([H])OC([H])([H])C([H])([H])C([H])([H])C1([H])[H]	759.29
[H]OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])O[H]	7542.89
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[C@@]1([H])OC([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1574.41