smile	binding.affinity
[H]C#CC([H])([H])N([H])[C@@]1([H])C2=C([H])C([H])=C([H])C(OC(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])[H])=C2C([H])([H])C1([H])[H]	7000
[H]C#CC([H])([H])N([H])[C@@]1([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C1([H])[H]	5127.5
[H]OC1=C([H])C([H])=C2C(=C1[H])[C@]([H])(N([H])C([H])([H])C#C[H])C([H])([H])C2([H])[H]	1900
[H]C#CC([H])([H])N(C([H])([H])[H])[C@@]1([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C1([H])[H]	4900
[H]C#CC([H])([H])N(C([H])([H])[H])[C@@]1([H])C2=C([H])C([H])=C([H])C(OC(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])[H])=C2C([H])([H])C1([H])[H]	6000
[H]OC1=C2C(=C([H])C([H])=C1[H])[C@]([H])(N([H])C([H])([H])C#C[H])C([H])([H])C2([H])[H]	2000
[H]OC(=O)C1=C([H])C([H])=C(N([H])C(=O)C2=C([H])C3=C(OC2=O)C([H])=C([H])C([H])=C3[H])C([H])=C1[H]	9970
[H]N(C(=O)C1=C([H])C2=C(OC1=O)C([H])=C([H])C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C(Cl)=O	9670
[H]N(C(=O)C1=C([H])C2=C(OC1=O)C([H])=C([H])C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H]	9330
[H]OC1=C([H])C([H])=C(C(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C(O[H])=C1[H]	4950
[H]N(C(=O)C1=C([H])C2=C(OC1=O)C([H])=C([H])C([H])=C2[H])C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	9790
[H]N(C(=O)C1=C([H])C2=C(OC1=O)C([H])=C([H])C([H])=C2[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	9450
[H]C#CC([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])OC1=C(Cl)C([H])=C(Cl)C([H])=C1[H]	4.46
[H]N(N([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)C1=C([H])C([H])=NC([H])=C1[H]	6560
[H]C1=C([H])C([H])=C2C(OC3=C(C(=C([H])C([H])=C3[H])C([H])([H])C([H])([H])[H])S2(=O)=O)=C1[H]	10
[H]\C(=C(\[H])C1=C([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2000
[H]OC1=C([H])C([H])=C2OC3=C(C(=O)C2=C1[H])C(O[H])=C([H])C(O[H])=C3[H]	8000
[H]OC1=C([H])C2=C(C([H])=C1[H])C(=O)C1=C(O2)C([H])=C([H])C([H])=C1[H]	1100
[H]OC1=C([H])C2=C(OC3=C(C([H])=C([H])C([H])=C3[H])C2=O)C([H])=C1[H]	3800
[H]C1=C([H])C2=C(C([H])=C1[H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1O2	840
[H]OC1=C([H])C2=C(C(=O)C3=C(O2)C([H])=C([H])C([H])=C3[H])C(O[H])=C1C([H])([H])[H]	3700
[H]C1=C([H])C2=C(C([H])=C1[H])C(=O)C1=C(O2)C([H])=C([H])C([H])=C1OC([H])([H])[H]	900
[H]OC1=C([H])C([H])=C([H])C2=C1OC1=C(C([H])=C([H])C([H])=C1[H])C2=O	1300
[H]OC1=C([H])C([H])=C([H])C2=C1C(=O)C1=C([H])C([H])=C([H])C([H])=C1O2	310
[H]C1=C([H])C2=C(C([H])=C1[H])C(=O)C1=C(O2)C([H])=C([H])C(OC([H])([H])[H])=C1[H]	5300
[H]OC1=C([H])C([H])=C([H])C2=C1OC1=C(C2=O)C(O[H])=C([H])C([H])=C1[H]	730
[H]OC1=C([H])C([H])=C(O[H])C2=C1OC1=C([H])C(OC([H])([H])[H])=C([H])C(O[H])=C1C2=O	660
[H]OC1=C([H])C([H])=C([H])C2=C1OC1=C(C(O[H])=C([H])C(OC([H])([H])[H])=C1[H])C2=O	40
[H]OC1=C([H])C([H])=C([H])C2=C1OC1=C(C2=O)C(O[H])=C(OC([H])([H])[H])C(O[H])=C1[H]	2700
[H]OC1=C([H])C2=C(C([H])=C1[H])C(=O)C1=C(O2)C(O[H])=C([H])C([H])=C1[H]	4500
[H]OC1=C([H])C2=C(C(=O)C3=C(O2)C(O[H])=C([H])C([H])=C3[H])C(O[H])=C1[H]	3800
[H]OC1=C(O[H])C2=C(OC3=C([H])C(OC([H])([H])[H])=C([H])C(O[H])=C3C2=O)C([H])=C1[H]	8500
[H]OC1=C([H])C([H])=C([H])C2=C1OC1=C(C2=O)C(O[H])=C(C([H])=C1O[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]	3300
[H]OC1=C([H])C(O[H])=C(C2=C1C(=O)C1=C(O2)C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	4300
[H]C1=C([H])C2=C(C([H])=C1[H])C(=O)C1=C(O2)C([H])=C(OC([H])([H])[H])C([H])=C1[H]	180
[H]OC1=C([H])C(OC([H])([H])[H])=C([H])C2=C1C(=O)C1=C([H])C([H])=C([H])C([H])=C1O2	110
[H]N([H])N([H])C(=O)N([H])[H]	6700
[H]N(C(=O)C([H])([H])[H])C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C(F)=C(C([H])=C2[H])C2=C([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])C1([H])[H]	5900
[H]C1=C(N(N=N1)C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])C1([H])[H])C([H])([H])[H]	4500
[H]C1=C(F)N=NN1C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])C1([H])[H]	500
[H]C1=C(Cl)N=NN1C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])C1([H])[H]	3000
[H]C1=C([H])N(N=N1)C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])C1([H])[H]	3400
[H]C1=C(F)N(N=N1)C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])C1([H])[H]	1600
[H]C1=C(N=NN1C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])C1([H])[H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	3500
[H]C(=O)C1=C([H])N(N=N1)C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])C1([H])[H]	3200
[H]N([H])N([H])C([H])([H])C(=C(/[H])F)\C1=C([H])C([H])=C([H])C([H])=C1[H]	2800
[H]N([H])N([H])C([H])([H])C(=C([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1300
[H]N([H])N([H])C([H])([H])C(=C([H])[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	1000
[H]N([H])N([H])C([H])([H])C(=C([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	6000
[H]N([H])N([H])C([H])([H])C(=C([H])[H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	2000
[H]C1=C([H])C2=C(C([H])=C1[H])C1=C(O2)C([H])=C2OC(=O)C([H])=C(C2=C1[H])C([H])([H])[H]	7240
[H]N(C(=O)C([H])([H])[H])C1=C([H])C2=C([H])C([H])=C(OC([H])([H])C(=O)C([H])([H])[H])C(OC([H])([H])[H])=C2OC1=O	5870
[H]N([H])C([H])([H])C([H])([H])C([H])([H])OC1=C2OC(=O)C([H])=C([H])C2=C([H])C2=C1OC([H])=C2[H]	2510
[H]C1=C(O[C@@]2([H])C(=O)C([H])([H])C([H])([H])C2([H])[H])C([H])=C2OC(=O)C([H])=C(C2=C1[H])C([H])([H])[H]	40.25
[H]C1=C([H])C(=C([H])C(=C1[H])C1=C([H])C2=C(N=N1)C1=C(C([H])=C(OC([H])([H])[H])C([H])=C1[H])C2=O)C(F)(F)F	519
[H]C1=C([H])C(=C([H])C(=C1[H])C1=C([H])C2=C(N=N1)C1=C(C([H])=C([H])C(OC([H])([H])[H])=C1[H])C2=O)C(F)(F)F	500.05
[H]C1=C([H])N(N=N1)C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])N=C(C([H])=C2[H])C(=O)C([H])([H])N2C([H])=NC(=C2[H])C([H])([H])[H])C1([H])[H]	5600
[H]OC([H])([H])C1=NC([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1F)N1C(=O)O[C@@]([H])(C([H])([H])N2N=NC([H])=C2[H])C1([H])[H]	4800
[H]N([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(SC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C1[H]	22
[H]N([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(SC([H])([H])[H])C([H])=C1[H]	133
[H]N([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(SC([H])([H])C([H])([H])[H])C([H])=C1[H]	75
[H]N([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(SC([H])([H])C([H])([H])C([H])([H])[H])C([H])=C1[H]	30
[H]O[C@@]([H])(C1=NC([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1F)N1C(=O)O[C@@]([H])(C([H])([H])N2N=NC([H])=C2[H])C1([H])[H])C([H])([H])[H]	5100
[H]C1=C([H])N(N=N1)C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])N=C(C([H])=C2[H])[C@]([H])(OC([H])([H])[H])C([H])([H])[H])C1([H])[H]	2750
[H]C1=C([H])N(N=N1)C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])N=C(C([H])=C2[H])C([H])([H])OC([H])([H])[H])C1([H])[H]	1700
[H]N1C([H])([H])C([H])(C(=O)C2=NC([H])=C(C([H])=C2[H])C2=C([H])C([H])=C(C([H])=C2F)N2C(=O)O[C@@]([H])(C([H])([H])N3N=NC([H])=C3[H])C2([H])[H])C1([H])[H]	4500
[H]C1=C([H])N(N=N1)C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C([H])=C(C(F)=C2[H])C2=C([H])N=C(C([H])=C2[H])C(=O)C([H])([H])[H])C1([H])[H]	700
[H]OC(C1=NC([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1F)N1C(=O)O[C@@]([H])(C([H])([H])N2N=NC([H])=C2[H])C1([H])[H])(C([H])([H])[H])C([H])([H])[H]	6000
[H]OC1=C2N=C([H])C([H])=C(C2=C([H])C([H])=C1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])C#C[H]	37
[H]C1=C([H])C(Cl)=C([H])C(=C1[H])C([H])([H])OC1=C([H])C2=C(C([H])=C1[H])C(=C(C(=O)O2)C([H])([H])[H])C([H])([H])[H]	1120
[H]C1=C2N(C3=C(C2=C(Br)C(OC(=O)N(C([H])([H])[H])C([H])([H])[H])=C1[H])C([H])([H])C([H])([H])\C3=N\C([H])([H])[H])C([H])([H])[H]	540
[H]OC1=C2N=C([H])C([H])=C(C2=C([H])C([H])=C1[H])C([H])([H])N([H])C([H])([H])C#C[H]	2390
[H]N(\N=C1\C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(C#N)C([H])=C1[H]	7220
[H]N(\N=C1\C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C(F)C([H])=C(F)C([H])=C1[H]	6830
[H]N(\N=C1\C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(F)C([H])=C1[H]	4940
[H]N(\N=C1\C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2761
[H]N([H])C([H])([H])C(=C(/[H])F)\C([H])([H])C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H]	1440
[H]C([H])=C(Br)C([H])([H])OC1=C([H])C([H])=C2C3=C(C(=O)OC2=C1C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H]	130
[H]C1=C(OC([H])([H])C(=O)C([H])([H])[H])C(OC([H])([H])[H])=C2OC(=O)C3=C(C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H]	396
[H]C1=C(OC([H])([H])C(=O)C([H])([H])[H])C(=C2OC(=O)C3=C(C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])[H]	3.78
[H]C1=C(OC([H])([H])C(=O)C([H])([H])[H])C(=C2OC(=O)C3=C(C2=C1[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])[H]	235
[H]C1=C(OC([H])([H])C(=O)C([H])([H])[H])C(OC([H])([H])[H])=C2OC(=O)C3=C(C2=C1[H])C([H])([H])C([H])([H])C3([H])[H]	121
[H]C1=C(O[C@@]2([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C(=C2OC(=O)C([H])=C(C2=C1[H])C([H])([H])[H])C([H])([H])[H]	400
[H]C1=C(O[C@@]2([H])C(=O)C([H])([H])C([H])([H])C2([H])[H])C(=C2OC(=O)C([H])=C(C2=C1[H])C([H])([H])[H])C([H])([H])[H]	7.16
[H]C1=C([H])C2=C([H])C([H])=C(O[C@@]3([H])C(=O)C([H])([H])C([H])([H])C3([H])[H])C(OC([H])([H])[H])=C2OC1=O	2660
[H]C([H])=C(Br)C([H])([H])OC1=C([H])C([H])=C2C(OC(=O)C3=C2C([H])=C([H])C([H])=C3[H])=C1C([H])([H])[H]	2380
[H]C1=C([H])C2=C(C([H])=C1[H])C1=C([H])C([H])=C(OC([H])([H])C(=O)C([H])([H])[H])C(=C1OC2=O)C([H])([H])[H]	2560
[H]C([H])=C(Br)C([H])([H])OC1=C([H])C([H])=C2C(OC(=O)C3=C2C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C1C([H])([H])[H]	695
[H]N1C(=O)C(=O)C2=C1C([H])=C([H])C(\C([H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H])=C2[H]	326.75
[H]N1C(=O)C(=O)C2=C1C([H])=C([H])C(\C([H])=C(/[H])C1=C([H])C(Cl)=C([H])C([H])=C1[H])=C2[H]	5600
[H]N1C(=O)C(=O)C2=C1C([H])=C([H])C(\C([H])=C(/[H])C1=C([H])C(F)=C([H])C([H])=C1[H])=C2[H]	2200
[H]N1C(=O)C(=O)C2=C1C([H])=C(\C([H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])=C2[H]	7039.25
[H]N(C(=O)OC1=C([H])C([H])=C2N(C3=C(C2=C1Br)C([H])([H])C([H])([H])\C3=N\C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	650
[H]C1=C([H])C([H])=C2C(=C1[H])N(C1=C2C([H])([H])C([H])([H])\C1=N\C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H]	1610
[H]N(C(=O)OC1=C([H])C([H])=C2N(C3=C(C2=C1Cl)C([H])([H])C([H])([H])\C3=N\C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	1360
[H]N(C(=O)OC1=C([H])C([H])=C2N(C3=C(C2=C1Br)C([H])([H])C([H])([H])\C3=N\C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	210
[H]N(C(=O)OC1=C([H])C([H])=C2N(C3=C(C2=C1[H])C([H])([H])C([H])([H])\C3=N\C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	3740
[H]C1=C([H])C([H])=C2C(=C1[H])N(C1=C2C([H])([H])C([H])([H])\C1=N\C([H])([H])C([H])([H])[H])C([H])([H])[H]	2120
[H]N(C(=O)OC1=C([H])C([H])=C2N(C3=C(C2=C1Br)C([H])([H])C([H])([H])\C3=N\C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5470
[H]N1C([H])([H])C([H])([H])C([H])(C2=C([H])C3=C(O2)C(Br)=C([H])C(OC([H])([H])[H])=C3[H])C([H])([H])C1([H])[H]	180
[H]OC1=C([H])C([H])=C(C2=NN(C(=O)C([H])([H])[H])C([H])([H])C2([H])[H])C(O[H])=C1O[H]	100
[H]OC1=C([H])C([H])=C([H])C([H])=C1C1=NN(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	100
[H]C1=C([H])C([H])=C2C(=C1[H])N(C1=C2C([H])([H])C([H])([H])\C1=N\C([H])([H])[H])C([H])([H])[H]	920
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H]	9
[H]OC1=C([H])C(O[H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H]	100
[H]OC1=C([H])C([H])=C([H])C(O[H])=C1C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H]	1000
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])[H])C1([H])[H]	100
[H]OC1=C([H])C([H])=C([H])C(O[H])=C1C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C1([H])[H]	10
[H]OC1=C([H])C([H])=C([H])C(O[H])=C1C1=NN(C(=O)C([H])([H])[H])[C@]([H])(C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])[H])C1([H])[H]	28
[H]OC1=C(C([H])=C([H])C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C1([H])[H]	8.8
[H]OC1=C([H])C([H])=C([H])C(O[H])=C1C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C1([H])[H]	2000
[H]OC1=C([H])C([H])=C([H])C(O[H])=C1C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C1([H])[H]	100
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C1([H])[H]	10
[H]OC1=C(C([H])=C([H])C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C1([H])[H]	8.6
[H]OC1=C([H])C(O[H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C1([H])[H]	100
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@]([H])(C2=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C1([H])[H]	10
[H]OC1=C(C([H])=C([H])C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C1([H])[H]	100
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	9800
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	9900
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C2=C([H])C([H])=C(Br)C([H])=C2[H])C([H])([H])C1([H])[H]	7400
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H]	6900
[H]OC1=C(C([H])=C([H])C([H])=C1[H])C1=NN(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	72
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	73
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	14
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H]	110
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	86
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C2=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H]	1800
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H]	3000
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	100
[H]C1=C([H])C(=C([H])C([H])=C1C1=NN(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	100
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C1=NN(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	10
[H]C1=C([H])C(=C([H])C([H])=C1Br)C1=NN(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	10
[H]C1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])C1=NN(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	200
[H]C1=C([H])C(=C([H])C(OC([H])([H])[H])=C1[H])C1=NN(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	240
[H]C1=C([H])C(OC([H])([H])[H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	290
[H]C1=C([H])C(C2=NN(C(=O)C([H])([H])[H])C([H])([H])C2([H])[H])=C(OC([H])([H])[H])C([H])=C1OC([H])([H])[H]	230
[H]C1=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C(=C1[H])C1=NN(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	100
[H]C1=C(OC([H])([H])[H])C([H])=C(C2=NN(C(=O)C([H])([H])[H])C([H])([H])C2([H])[H])C(OC([H])([H])[H])=C1[H]	200
[H]C1=C([H])C(C2=NN(C(=O)C([H])([H])[H])C([H])([H])C2([H])[H])=C(C([H])=C1[H])[N+]([O-])=O	300
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	50
[H]OC1=C([H])C([H])=C(C2=NN(C(=O)C([H])([H])[H])C([H])([H])C2([H])[H])C(O[H])=C1[H]	100
[H]N(C(=O)OC1=C([H])C([H])=C2N(C3=C(C2=C1Br)C([H])([H])C([H])([H])\C3=N\C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	750
[H]N(C(=O)OC1=C([H])C([H])=C2N(C3=C(C2=C1Cl)C([H])([H])C([H])([H])\C3=N\C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	100
[H]N(C1=NOC([H])=C1[H])C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C(F)=C(C([H])=C2[H])C2=C([H])C(=NO2)C([H])([H])[H])C1([H])[H]	420
[H]C1=C([H])N(N=N1)C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C(F)=C(C([H])=C2[H])C2=C([H])C(=NO2)C([H])([H])[H])C1([H])[H]	2900
[H]N(C(=O)C([H])([H])[H])C([H])([H])[C@]1([H])OC(=O)N(C2=C([H])C(F)=C(C([H])=C2[H])C2=C([H])C(=NO2)C([H])([H])[H])C1([H])[H]	950
[H]C1=C([H])C(=C([H])S1)C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2OC1=O	4160
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2OC1=O	9670
[H]N1N=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	17.08
[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])N([H])N=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C1([H])[H]	225.13
[H]N1N=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	281.19
[H]N1N=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	250.27
[H]N1N=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[C@@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	332.41
[H]OC1=C([H])C([H])=C([H])C([H])=C1[C@@]1([H])N([H])N=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C1([H])[H]	69.91
[H]OC1=C([H])C([H])=C(C(O[H])=C1[H])[C@@]1([H])N([H])N=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C1([H])[H]	81.54
[H]N1N=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[C@@]1([H])C1=C([H])C([H])=C([H])C([H])=N1	205.45
[H]N1N=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[C@@]1([H])C1=C([H])C([H])=C([H])C(=C1[H])[N+]([O-])=O	32.16
[H]N1N=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	301.11
[H]N1C2=C(C([H])=C([H])C(OC([H])([H])[H])=C2[H])C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	16.9
[H]C1=C([H])C2=C(C([H])=C1[H])C(=C([H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=[N+](C([H])=C1[H])C([H])([H])[H]	5500
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	1180
[H]C1=C([H])C(Cl)=C([H])C(=C1[H])C([H])([H])OC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	71.5
[H]C1=C([H])C(Br)=C([H])C(=C1[H])C([H])([H])OC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	45.5
[H]C1=C([H])C(F)=C([H])C(=C1[H])C([H])([H])OC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	361
[H]C1=C([H])C(=C([H])C(=C1[H])C([H])([H])OC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H])C(F)(F)F	101.5
[H]C1=C([H])C(=C([H])C(=C1[H])C([H])([H])OC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	363
[H]C1=C([H])C(OC([H])([H])[H])=C([H])C(=C1[H])C([H])([H])OC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	675
[H]OC1=C([H])C([H])=C([H])C([H])=C1C1=NN(C(=S)N([H])C2=C([H])C([H])=C([H])C([H])=C2[H])[C@]([H])(C2=C([H])C([H])=C([H])S2)C1([H])[H]	5560
[H]OC1=C([H])C(O[H])=C2C(=O)C([H])=C(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	4900
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2O1	1700
[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]	2800
[H]N1C([H])([H])C([H])([H])S[C@]([H])(C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])C1([H])[H]	9600
[H]N1C([H])([H])C([H])([H])S[C@]([H])(C2=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C2[H])C1([H])[H]	2500
[H]N1C([H])([H])C([H])([H])S[C@]([H])(C2=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])[H])C([H])=C2[H])C1([H])[H]	6620
[H]N([H])C(=O)C1=C([H])C(=C(N=C1[H])C1=NC2=NC([H])=C([H])C(N([H])C3=NC([H])=C(C([H])=C3[H])C(F)(F)F)=C2N=C1[H])C(F)(F)F	2400
[H]N(N=C(C([H])([H])[H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	4430
[H]N(N=C(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	824.33
[H]N(\N=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	1310
[H]N(\N=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	949.575
[H]N(N=C1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	591.8
[H]N(\N=C1/C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	1450
[H]N(\N=C(/[H])C1=C([H])C([H])=C([H])O1)C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	342.88
[H]N(\N=C(\C1=C([H])C([H])=C([H])O1)C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	333.05
[H]N(\N=C(/[H])C1=C([H])C([H])=C([H])S1)C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	457.73
[H]N(\N=C(\C1=C([H])C([H])=C([H])S1)C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	636.08
[H]N(\N=C(/[H])C1=C([H])C([H])=C([H])N=C1[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	537.66
[H]N(\N=C(\C1=C([H])C([H])=C([H])N=C1[H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	455.16
C[C@@H]1CCCC\C1=N/NC1=NC(=CS1)C1=CC=C(C=C1)C#N	7221
COC1=CC=C(C=C1)C1=CSC(NN=C2CCCCCC2)=N1	4260
CC1=CC=C(C=C1)C1=CSC(NN=C2CCCCCC2)=N1	8860.5
N#CC1=CC=C(C=C1)C1=CSC(NN=C2CCCCC2)=N1	4786
[H]N(N=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	7586
FC1=CC=C(C=C1)C1=CSC(NN=C2CCCCC2)=N1	1752
ClC1=CC=C(C=C1)C1=CSC(NN=C2CCCCC2)=N1	2911
[H]N(N=C1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(C#N)C([H])=C1[H]	644
[H]N(N=C1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	344
[H]N(N=C1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	1055
[H]N(N=C1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	1995
FC1=CC(F)=C(C=C1)C1=CSC(NN=C2CCCC2)=N1	2291
FC1=CC=C(C=C1)C1=CSC(NN=C2CCCC2)=N1	4436
[H]N(N=C1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	7244
[H]N(N=C1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C([H])=C1[H]	7883
[H]N(\N=C(/[H])C1=C2OC([H])([H])OC2=C([H])C([H])=C1[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	874.69
[H]N(\N=C(/[H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	413.81
[H]N(\N=C(\C1=C([H])C2=C(OC1=O)C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	5560
[H]N(\N=C(/[H])C1=C([H])C([H])=NC([H])=C1[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	697.53
[H]N(\N=C(\C1=C([H])C([H])=NC([H])=C1[H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	3710
[H]N(\N=C(/[H])C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=C1[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	3640
ClC1=CC(=CC=C1)C(=O)OC1=CC2=C(OC(=O)C2)C=C1	4840
O=C(OC1=CC2=C(OC(=O)C2)C=C1)\C=C\C1=CC=CC=C1	7895
ClC1=CC(\C=C\C(=O)OC2=CC3=C(OC(=O)C3)C=C2)=CC=C1	2465
CC1=CC2=C(N1)C=CC(NC(=O)\C=C\C1=CC=CC(Cl)=C1)=C2	4845
CC1=CC2=C(N1)C=CC(NC(=O)C1=CC=C(Cl)C(Cl)=C1)=C2	6185
O=C(OC1=CC2=C(OC(=O)C2)C=C1)C1=CC=CC=C1	7310
NCC1=CN(N=N1)C1=CC=CC=C1	970
NCC1=CN(N=N1)C1=CC=NC=C1	830
[H]N1C2=C([H])C(OC([H])([H])C3=C([H])C([H])=NC([H])=C3[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	35.4
[H]N1C2=C([H])C(OC([H])([H])C3=C([H])C4=C([H])C([H])=C([H])C([H])=C4C([H])=C3[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	56.3
[H]N1C2=C([H])C(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	1023.8
[H]N1C2=C([H])C(OC([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	684
[H]N1C2=C([H])C(OC([H])([H])C([H])([H])N3C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	255.7
[H]C([H])=C([H])C([H])([H])OC1=C([H])C([H])=C2C(N([H])C3=C2C([H])=C([H])N=C3C([H])([H])[H])=C1[H]	5
[H]N1C2=C([H])C(OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	3.9
[H]N1C2=C([H])C(OC([H])([H])C([H])([H])OC([H])([H])[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	29.5
[H]OC([H])([H])C([H])([H])OC1=C([H])C2=C(C([H])=C1[H])C1=C([H])C([H])=NC(=C1N2[H])C([H])([H])[H]	28.4
[H]N1C2=C([H])C(OC([H])([H])C([H])([H])C([H])([H])C(F)(F)F)=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	3.6
[H]N1C2=C([H])C(OC([H])([H])C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	4.3
[H]N1C2=C([H])C(OC([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	5
[H]N1C2=C([H])C(OC([H])([H])C3=NC([H])=C([H])C([H])=C3[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	500
[H]N1C2=C([H])C(OC([H])([H])C3=C([H])N=C([H])C([H])=C3[H])=C([H])C([H])=C2C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	24.9
[H]N1C(=O)C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C12	2920
[H]N1C(=O)C(=O)C2=C([H])C(=C([H])C([H])=C12)C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3085
[H]N1C(=O)C(=O)C2=C([H])C([H])=C(C([H])=C12)C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	4380
[H]N1C(=O)C(=O)C2=C([H])C(OC3=C([H])C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C12	5965
[H]N1C(=O)C(=O)C2=C([H])C(=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	355
[H]N1C(=O)C(=O)C2=C([H])C([H])=C(C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	2930
[H]N1C(=O)C(=O)C2=C([H])C(=C([H])C([H])=C12)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1383.5
[H]N1C(=O)C(=O)C2=C([H])C(OC3=C([H])C([H])=C(Cl)C([H])=C3[H])=C([H])C([H])=C12	7705
[H]OC1=C(N([H])[H])C([H])=C(\C([H])=C2\C(=O)C3=C(OC2([H])[H])C([H])=C([H])C([H])=C3[H])C([H])=C1[H]	1440
[H]OC1=C(O[H])C([H])=C(\C([H])=C2\C(=O)C3=C([H])C([H])=C([H])C([H])=C3OC2([H])[H])C([H])=C1[H]	4740
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C(\C([H])=C2\C(=O)C3=C([H])C([H])=C([H])C([H])=C3OC2([H])[H])C([H])=C1[H]	2100
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C(C#N)=C(C#N)C([H])=C1[H]	1790
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])OC1=C([H])C(C#N)=C(C#N)C([H])=C1[H]	1310
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C(C#N)=C(C#N)C([H])=C1[H]	652
[H]\C(=C(\[H])C([H])([H])OC1=C([H])C(C#N)=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	399
[H]C1=C([H])C2=C([H])C([H])=C(OC3=C([H])C(C#N)=C(C#N)C([H])=C3[H])C([H])=C2C([H])=C1[H]	5050
[H]C1=C([H])C(=C([H])C([H])=C1Br)C([H])([H])OC1=C([H])C(C#N)=C(C#N)C([H])=C1[H]	642
[H]C1=C([H])C(=C([H])C([H])=C1Br)C([H])([H])C([H])([H])OC1=C([H])C(C#N)=C(C#N)C([H])=C1[H]	2450
[H]\C(=C(\[H])C([H])([H])OC1=C([H])C(C#N)=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3600
[H]C1=C([H])C(OC2=C([H])C([H])=C(C#N)C([H])=C2[H])=C([H])C([H])=C1Br	2440
[H]C1=C([H])C(OC([H])([H])C2=C([H])C([H])=C(Br)C([H])=C2[H])=C([H])C(C#N)=C1[H]	2610
[H]OC1=C([H])C([H])=C([H])C([H])=C1[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	170
[H]OC1=C([H])C([H])=C([H])C([H])=C1[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	290
[H]OC1=C([H])C([H])=C([H])C([H])=C1[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H]	100
[H]OC1=C([H])C([H])=C([H])C([H])=C1[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H]	300
[H]OC1=C([H])C([H])=C([H])C([H])=C1[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C(OC([H])([H])[H])C([H])=C([H])C([H])=C1[H]	310
[H]OC1=C([H])C([H])=C([H])C([H])=C1[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	250
[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	90
[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	350
[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H]	130
[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H]	2150
[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]	310
[H]N([H])C(=O)N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	490
[H]N([H])C(=O)N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=NC([H])=C1[H]	7000
[H]N([H])C(=O)N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	980
[H]N([H])C(=O)N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	300
[H]N([H])C(=S)N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	333
[H]N([H])C(=S)N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=NC([H])=C1[H]	456
[H]N([H])C(=S)N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	805
[H]N=C(N([H])[H])N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	400
[H]N=C(N([H])[H])N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	150
[H]N=C(N([H])[H])N1N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=NC([H])=C1[H]	670
[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])N(N=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H])C(=S)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	360
[H]N1C(=O)C2=C([H])C([H])=C(OC3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2C1=O	3695
[H]N1C(=O)C2=C([H])C([H])=C(OC([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2C1=O	2635
[H]N1C(=O)C2=C([H])C([H])=C(OC([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2C1=O	2260
[H]N1C(=O)C2=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2C1=O	1095
[H]N1C(=O)C2=C([H])C([H])=C(OC([H])([H])C(\[H])=C(/[H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2C1=O	5680
[H]N1C(=O)C2=C([H])C([H])=C(OC3=C([H])C([H])=C4C([H])=C([H])C([H])=C([H])C4=C3[H])C([H])=C2C1=O	560
[H]N1C(=O)C2=C([H])C([H])=C(OC([H])([H])C3=C([H])C([H])=C(Br)C([H])=C3[H])C([H])=C2C1=O	139
[H]N1C(=O)C2=C([H])C([H])=C(OC([H])([H])C([H])([H])C3=C([H])C([H])=C(Br)C([H])=C3[H])C([H])=C2C1=O	682.5
[H]N1C(=O)C2=C([H])C([H])=C(OC3=C([H])C([H])=C(Br)C([H])=C3[H])C([H])=C2C1=O	682.5
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])OC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	903.5
[H]C1=C([H])C(=C([H])C([H])=C1Br)C([H])([H])OC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	882
[H]C1=C([H])C([H])([H])[C@]([H])(C([H])([H])OC2=NC3=C(N2C([H])([H])[H])C(=O)N(C(=O)N3C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	9282.5
[H]C1=C([H])C(OC([H])([H])C([H])([H])OC2=NC3=C(N2C([H])([H])[H])C(=O)N(C(=O)N3C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C1Cl	1235
[H]C1=C([H])C(OC([H])([H])C([H])([H])OC2=NC3=C(N2C([H])([H])[H])C(=O)N(C(=O)N3C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C1Br	1265
[H]OC1=C([H])C([H])=C(N([H])C(=O)C2=C([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C3O2)C([H])=C1O[H]	190
[H]OC1=C([H])C([H])=C(N([H])C(=O)C2=C([H])OC3=C([H])C([H])=C([H])C([H])=C3C2=O)C([H])=C1O[H]	430
[H]OC1=C([H])C([H])=C(N([H])C(=O)C2=C([H])OC3=C([H])C([H])=C([H])C([H])=C3C2=O)C([H])=C1[H]	4760
[H]OC1=C([H])C(N([H])C(=O)C2=C([H])OC3=C([H])C([H])=C([H])C([H])=C3C2=O)=C([H])C([H])=C1OC([H])([H])[H]	8340
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C([H])C(OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])=C2[H]	3300
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C2O1	3120
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C2O1	1910
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C(Cl)=C([H])C([H])=C3[H])=C([H])C([H])=C2O1	424
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C([H])=C(Cl)C([H])=C3[H])=C([H])C([H])=C2O1	106
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C(Br)=C([H])C([H])=C3[H])=C([H])C([H])=C2O1	386
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C([H])=C(Br)C([H])=C3[H])=C([H])C([H])=C2O1	95
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C(F)=C([H])C([H])=C3[H])=C([H])C([H])=C2O1	1230
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C([H])=C(F)C([H])=C3[H])=C([H])C([H])=C2O1	322
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C(=C([H])C([H])=C3[H])C([H])([H])[H])=C([H])C([H])=C2O1	1130
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])[H])=C([H])C([H])=C2O1	3490
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C(C#N)=C([H])C([H])=C3[H])=C([H])C([H])=C2O1	255
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C([H])=C(C#N)C([H])=C3[H])=C([H])C([H])=C2O1	175
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C3=C([H])C([H])=C(C([H])=C3[H])C(F)(F)F)=C([H])C([H])=C2O1	879
[H]C1=C([H])C(=O)C2=C([H])C(OC([H])([H])C([H])([H])C3=C([H])C([H])=C(Br)C([H])=C3[H])=C([H])C([H])=C2O1	480
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)[C@@]([H])(OC([H])([H])C([H])([H])[H])C1([H])[H]	5360
[H]\C(=C1\OC2=C([H])C([H])=C([H])C([H])=C2C1=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	268
[H]\C(=C1\OC2=C([H])C([H])=C([H])C([H])=C2C1=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	709
[H]OC1=C([H])C([H])=C2C(O\C(=C(\[H])C3=C([H])C([H])=C(C([H])=C3[H])N(C([H])([H])[H])C([H])([H])[H])C2=O)=C1[H]	979
[H]N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C1=C2N=C([H])C([H])=C(C2=C(OC2=C([H])C(F)=C([H])C([H])=C2[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H])C([H])([H])[H]	3220
[H]N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C1=C2N=C([H])C([H])=C(C2=C(OC2=C([H])C([H])=C(F)C([H])=C2[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H])C([H])([H])[H]	9700
[H]N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C1=C2N=C([H])C([H])=C(C2=C(OC2=C([H])C([H])=C(C([H])=C2[H])C(F)(F)F)C(OC([H])([H])[H])=C1[H])C([H])([H])[H])C([H])([H])[H]	8540
[H]N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C1=C2N=C([H])C([H])=C(C2=C(OC2=C([H])C(Cl)=C([H])C([H])=C2[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H])C([H])([H])[H]	6550
[H]N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C1=C2N=C([H])C([H])=C(C2=C(OC2=C(Cl)C([H])=C(Cl)C([H])=C2[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H])C([H])([H])[H]	7530
[H]N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C1=C2N=C([H])C([H])=C(C2=C(OC2=C(Cl)C([H])=C(Cl)C(Cl)=C2[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H])C([H])([H])[H]	3770
[H]N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C1=C2N=C([H])C([H])=C(C2=C(OC2=C([H])C(Cl)=C(Cl)C([H])=C2[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H])C([H])([H])[H]	6260
[H]C1=C(OC([H])([H])[H])C([H])=C2C(=C1[H])C([H])=[N+](C([H])([H])[H])C([H])([H])C2([H])[H]	4000
[H]C1=C2C([H])=[N+](C([H])([H])[H])C([H])([H])C([H])([H])C2=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H]	6000
[H]C1=C2C(=NC([H])([H])C([H])([H])C2=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C([H])([H])[H]	4000
[H]C1=C2C(=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C(=NC([H])([H])C2([H])[H])C([H])([H])[H]	2000
[H]C1=C([H])C2=C(C([H])=C1[H])C1=NC([H])([H])C([H])([H])C3=C([H])C(OC([H])([H])[H])=C([H])C(C2=O)=C13	14
[H]OC1=C(OC([H])([H])[H])C([H])=C2C3=C1C(=O)C1=C(C([H])=C([H])C([H])=C1[H])C3=NC([H])([H])C2([H])[H]	44
[H]C1=NC2=C3C(C([H])=C([H])C([H])=C3C(=O)C3=C2C([H])=C([H])C([H])=C3[H])=C1[H]	720
[H]C1=C([H])C2=C([H])C(OC([H])([H])[H])=C([H])C3=C2C(=N1)C1=C(C([H])=C([H])C([H])=C1[H])C3=O	0.83
[H]OC1=C(OC([H])([H])[H])C([H])=C2C([H])=C([H])N=C3C4=C(C([H])=C([H])C([H])=C4[H])C(=O)C1=C23	1230
[H]OC1=C([H])C2=C3C(=NC([H])=C([H])C3=C1[H])C1=C(C([H])=C([H])C([H])=C1[H])C2=O	35
[H]C1=C([H])C2=C3C(=N1)C1=C(C([H])=C([H])C([H])=C1[H])C([H])=C3C(=O)C(OC([H])([H])[H])=C2[H]	13
[H]C1=C(OC([H])([H])[H])C([H])=C2C3=C1C(=O)C1=C(C3=NC([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2120
[H]O[C@]1([H])C2=C(C([H])=C([H])C([H])=C2[H])[C@@]2([H])N([H])C([H])([H])C([H])([H])C3=C([H])C(OC([H])([H])[H])=C([H])C1=C23	9810
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])SC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	8220
[H]C1=C([H])C(=C([H])C([H])=C1Cl)C([H])([H])SC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	2770
[H]C1=C([H])C(=C([H])C([H])=C1Br)C([H])([H])SC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	2620
[H]C1=C([H])C(=C([H])C([H])=C1F)C([H])([H])SC1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	4800
[H]C([H])([H])N1C(SC2([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])=NC2=C1C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H]	9400
[H]N(C1=NC2=C(N1C([H])([H])[H])C(=O)N(C(=O)N2C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	5780
[H]C1=C([H])C2=C(C([H])=C1[H])C(=O)C([H])=C([H])C2=O	7700
[H]C1=C(C([H])=C2C(=O)C(=C(C(=O)C2=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	6000
[H]C1=C(Cl)C([H])=C(Cl)C(=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])=C([H])C([H])([H])C1([H])[H]	6100
[H]C1=C(Cl)C([H])=C(Cl)C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])=C([H])C([H])([H])C2([H])[H])=C1[H]	2400
[H]C#CC([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])F)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2000
[H]N([H])[C@]1([H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=C(N([H])C(=O)[C@@]([H])(N([H])C(=O)OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	1200
[H]OC1=C([H])C([H])=C(C2=NN(C(=O)C([H])([H])[H])[C@@]([H])(C3=C([H])C([H])=C([H])C([H])=C3OC([H])([H])[H])C2([H])[H])C(O[H])=C1[H]	7.5
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2Cl)C1([H])[H]	8.6
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C1([H])[H]	100
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C1([H])[H]	7.4
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@]([H])(C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])[H])C1([H])[H]	8
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@]([H])(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C1([H])[H]	100
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@]([H])(C2=C([H])C([H])=C([H])C(Cl)=C2[H])C1([H])[H]	10
[H]OC1=C([H])C([H])=C(C2=NN(C(=O)C([H])([H])[H])[C@@]([H])(C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])C2([H])[H])C(O[H])=C1[H]	9
[H]OC1=C([H])C([H])=C(C2=NN(C(=O)C([H])([H])[H])[C@@]([H])(C3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])[H])C2([H])[H])C(O[H])=C1[H]	9
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C1([H])[H]	9
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C([H])([H])[H])[C@@]([H])(C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2OC([H])([H])[H])C1([H])[H]	10
[H]OC1=C([H])C([H])=C(C2=NN(C(=O)C([H])([H])[H])[C@@]([H])(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C2([H])[H])C(O[H])=C1[H]	10
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])=C2[H]	5330
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])=C2[H]	2190
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])=C2[H]	3080
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C([H])C(Cl)=C1[H])C([H])=C2[H]	1520
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])=C2[H]	495
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C([H])C(Br)=C1[H])C([H])=C2[H]	1730
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C(Br)C([H])=C1[H])C([H])=C2[H]	592
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C([H])C(F)=C1[H])C([H])=C2[H]	2100
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])=C2[H]	1170
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H])C([H])=C2[H]	8030
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])=C2[H]	7120
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C([H])C(C#N)=C1[H])C([H])=C2[H]	784
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C([H])=C2[H]	1570
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C([H])=C2[H]	1970
[H]C1=C([H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])C([H])([H])C1=C([H])C([H])=C(Br)C([H])=C1[H])C([H])=C2[H]	718
[H]N1C([H])=C(\C([H])=C2\N(\C(=N\C([H])([H])[H])N([H])C2=O)C([H])([H])[H])C2=C1C([H])=C([H])C([H])=C2Br	2583
[H]N1C([H])=C(\C([H])=C2/N([H])C(=S)N([H])C2=O)C2=C1C([H])=C(Br)C([H])=C2[H]	1533
[H]N1C([H])=C(\C([H])=C2\N(\C(=N\C([H])([H])[H])N(C2=O)C([H])([H])[H])C([H])([H])[H])C2=C1C(Br)=C([H])C([H])=C2[H]	153
[H]N=C1N([H])\C(=C(\[H])C2=C([H])N([H])C3=C2C([H])=C([H])C([H])=C3[H])C(=O)N1C([H])([H])[H]	1967
[H]N=C1N([H])C(=O)\C(=C(\[H])C2=C([H])N([H])C3=C2C([H])=C([H])C([H])=C3Br)N1C([H])([H])[H]	6107
[H]N=C1N([H])C(=O)\C(=C(\[H])C2=C([H])N([H])C3=C2C([H])=C([H])C(Br)=C3[H])N1C([H])([H])[H]	6075
[H]N=C1N([H])C(=O)\C(=C(\[H])C2=C([H])N([H])C3=C2C([H])=C(Br)C([H])=C3[H])N1C([H])([H])[H]	8000
[H]N=C1N([H])C(=O)\C(N1[H])=C(/[H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2Br	5517
[H]N=C1N([H])C(=O)\C(N1[H])=C(/[H])C1=C([H])N([H])C2=C1C([H])=C(Br)C([H])=C2[H]	5867
[H]N=C1N([H])C(=O)\C(N1[H])=C(/[H])C1=C([H])N([H])C2=C1C(Br)=C([H])C([H])=C2[H]	2467
[H]N1C([H])=C(\C([H])=C2/N([H])C(SC([H])([H])[H])=NC2=O)C2=C1C(Br)=C([H])C([H])=C2[H]	627
[H]N1C([H])=C(\C([H])=C2/N([H])\C(=N\C([H])([H])[H])N([H])C2=O)C2=C1C([H])=C([H])C([H])=C2Br	1800
[H]N1C([H])=C(\C([H])=C2/N([H])\C(=N\C([H])([H])[H])N([H])C2=O)C2=C1C([H])=C([H])C(Br)=C2[H]	1200
[H]N1C([H])=C(\C([H])=C2/N([H])C(=S)N([H])C2=O)C2=C1C([H])=C([H])C([H])=C2Br	267
[H]N1C([H])=C(\C([H])=C2/N([H])C(=S)N([H])C2=O)C2=C1C([H])=C([H])C(Br)=C2[H]	1233
[H]N1C([H])=C(\C([H])=C2/N([H])C(=S)N([H])C2=O)C2=C1C(Br)=C([H])C([H])=C2[H]	543
[H]N1C([H])=C(\C([H])=C2/N([H])\C(=N\C([H])([H])[H])N([H])C2=O)C2=C1C(Br)=C([H])C([H])=C2[H]	3900
[H]N1C([H])=C(\C([H])=C2/N([H])\C(=N\C([H])([H])[H])N([H])C2=O)C2=C1C([H])=C(Br)C([H])=C2[H]	4433
[H]N1C([H])=C(\C([H])=C2/N([H])C(SC([H])([H])[H])=NC2=O)C2=C1C([H])=C(Br)C([H])=C2[H]	533
[H]N1C([H])=C(\C([H])=C2/N([H])C(SC([H])([H])[H])=NC2=O)C2=C1C([H])=C([H])C(Br)=C2[H]	7133
[H]N1C([H])=C(\C([H])=C2/N([H])C(SC([H])([H])[H])=NC2=O)C2=C1C([H])=C([H])C([H])=C2Br	677
[H]N1C([H])=C(\C([H])=C2/N=C(SC([H])([H])[H])N([H])C2=O)C2=C1C([H])=C([H])C([H])=C2[H]	2783
[H]N1C([H])=C(\C([H])=C2\N(\C(=N\C([H])([H])[H])N(C2=O)C([H])([H])[H])C([H])([H])[H])C2=C1C([H])=C([H])C(Br)=C2[H]	85
[H]N1C([H])=C(\C([H])=C2\N(\C(=N\C([H])([H])[H])N(C2=O)C([H])([H])[H])C([H])([H])[H])C2=C1C([H])=C(Br)C([H])=C2[H]	18
[H]N1C([H])=C(\C([H])=C2\N(\C(=N\C([H])([H])[H])N(C2=O)C([H])([H])[H])C([H])([H])[H])C2=C1C([H])=C([H])C([H])=C2Br	623
[H]N1C([H])=C(\C([H])=C2\N(\C(=N\C([H])([H])[H])N(C2=O)C([H])([H])[H])C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C12	98
[H]N1C([H])=C(\C([H])=C2/N([H])\C(=N\C([H])([H])[H])N(C2=O)C([H])([H])[H])C2=C1C(Br)=C([H])C([H])=C2[H]	1080
[H]N1C([H])=C(\C([H])=C2/N([H])\C(=N\C([H])([H])[H])N(C2=O)C([H])([H])[H])C2=C1C([H])=C(Br)C([H])=C2[H]	1123
[H]N1C([H])=C(\C([H])=C2/N([H])\C(=N\C([H])([H])[H])N(C2=O)C([H])([H])[H])C2=C1C([H])=C([H])C([H])=C2[H]	5817
[H]N1C([H])=C(\C([H])=C2/N([H])\C(=N\C([H])([H])[H])N(C2=O)C([H])([H])[H])C2=C1C([H])=C([H])C([H])=C2Br	5475
[H]N=C1N([H])C(=O)\C(N1[H])=C(/[H])C1=C([H])N([H])C2=C1C([H])=C([H])C(Br)=C2[H]	3683
[H]N1C([H])=C(\C([H])=C2/N([H])\C(=N\C([H])([H])[H])N(C2=O)C([H])([H])[H])C2=C1C([H])=C([H])C(Br)=C2[H]	3250
[H]N=C1N(C(=O)\C(=C(\[H])C2=C([H])N([H])C3=C2C([H])=C([H])C([H])=C3Br)N1C([H])([H])[H])C([H])([H])[H]	52
[H]N=C1N(C(=O)\C(=C(\[H])C2=C([H])N([H])C3=C([H])C(Br)=C([H])C([H])=C23)N1C([H])([H])[H])C([H])([H])[H]	5.6
[H]N=C1N(C(=O)\C(=C(\[H])C2=C([H])N([H])C3=C2C([H])=C(Br)C([H])=C3[H])N1C([H])([H])[H])C([H])([H])[H]	236
[H]N=C1N(C(=O)\C(=C(\[H])C2=C([H])N([H])C3=C2C(Br)=C([H])C([H])=C3[H])N1C([H])([H])[H])C([H])([H])[H]	2067
[H]N1C([H])=C(\C([H])=C2\N(\C(=N\C([H])([H])[H])N([H])C2=O)C([H])([H])[H])C2=C1C(Br)=C([H])C([H])=C2[H]	1900
[H]N=C1N(C(=O)\C(=C(\[H])C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)N1C([H])([H])[H])C([H])([H])[H]	35
[H]N1C([H])=C(\C([H])=C2\N(\C(=N\C([H])([H])[H])N([H])C2=O)C([H])([H])[H])C2=C1C([H])=C(Br)C([H])=C2[H]	29
[H]N1C([H])=C(\C([H])=C2\N(\C(=N\C([H])([H])[H])N([H])C2=O)C([H])([H])[H])C2=C1C([H])=C([H])C(Br)=C2[H]	263
[H]N1C([H])=C(\C([H])=C2\N(\C(=N\C([H])([H])[H])N([H])C2=O)C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C12	3075
[H]N=C1N([H])\C(=C(\[H])C2=C([H])N([H])C3=C2C([H])=C([H])C([H])=C3Br)C(=O)N1C([H])([H])[H]	1197
[H]N=C1N([H])\C(=C(\[H])C2=C([H])N([H])C3=C2C([H])=C([H])C(Br)=C3[H])C(=O)N1C([H])([H])[H]	165
[H]N=C1N([H])\C(=C(\[H])C2=C([H])N([H])C3=C2C([H])=C(Br)C([H])=C3[H])C(=O)N1C([H])([H])[H]	327
[H]N=C1N([H])\C(=C(\[H])C2=C([H])N([H])C3=C2C(Br)=C([H])C([H])=C3[H])C(=O)N1C([H])([H])[H]	1517
[H]\C(=C1\SC(=O)N(C1=O)C([H])([H])C([H])([H])C#N)C1=C([H])C([H])=C([H])C([H])=C1[H]	3490
[H]N([H])C([H])([H])C([H])([H])N1C(=O)S\C(=C(\[H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])C1=O	1040
[H]N([H])C([H])([H])C([H])([H])N1C(=O)S\C(=C(\[H])C2=C([H])C([H])=C(C([H])=C2[H])N(C([H])([H])[H])C([H])([H])[H])C1=O	6880
[H]\C(=C1/SC(=S)N(C1=O)C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	520
[H]OC(=O)C1=C([H])OC2=C([H])C([H])=C(OC([H])([H])C3=C([H])C(Br)=C([H])C([H])=C3[H])C([H])=C2C1=O	1040
[H]C(=O)C1=C([H])OC2=C([H])C([H])=C(OC([H])([H])C3=C([H])C(Br)=C([H])C([H])=C3[H])C([H])=C2C1=O	2200
[H]C1=C([H])C(=C([H])C(Br)=C1[H])C([H])([H])OC1=C([H])C([H])=C2OC([H])=C(C(=O)OC([H])([H])[H])C(=O)C2=C1[H]	6460
[H]OC1=C([H])C([H])=C(OC([H])([H])C2=C([H])C([H])=C(Br)C([H])=C2[H])C([H])=C1C(=O)C([H])([H])[H]	2900
[H]O[C@@]1([H])OC2=C([H])C([H])=C(OC([H])([H])C3=C([H])C(Br)=C([H])C([H])=C3[H])C([H])=C2C(=O)C1([H])[H]	1530
[H]OC1=C([H])C(OC([H])([H])C2=C([H])C([H])=C(Br)C([H])=C2[H])=C([H])C([H])=C1C(=O)C([H])([H])[H]	6260
[H]N(\N=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	83
[H]N(\N=C(/[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	56
C(C1=CC=CC=C1)C1=NC2=CC=CC=C2N=C1N\N=C\C1=CC=C2OCOC2=C1	6.3
[H]N(\N=C(\C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	29
[H]N(\N=C(\C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	89
[H]N(\N=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	81
ClC1=CC=C(\C=N\NC2=NC3=CC=CC=C3N=C2CC2=CC=CC=C2)C=C1	76
ClC1=CC=CC=C1\C=N\NC1=NC2=CC=CC=C2N=C1CC1=CC=CC=C1	5.8
COC1=CC=C(\C=N\NC2=NC3=CC=CC=C3N=C2CC2=CC=CC=C2)C=C1	63
[H]N(\N=C(\C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	79
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=N\N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])\C([H])([H])[H]	2.8
C\C(=N/NC1=NC2=CC=CC=C2N=C1CC1=CC=CC=C1)C1=CC=C(C=C1)[N+]([O-])=O	680
[H]OC1=C([H])C([H])=C(\C([H])=N\N([H])C2=NC3=C([H])C([H])=C([H])C([H])=C3N=C2C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	3.4
[H]N(\N=C(/[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	83
[H]N(\N=C(\C1=C([H])C([H])=C([H])C([H])=N1)C([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	91
[H]N(\N=C(\C1=C([H])C([H])=C([H])S1)C([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	64
[H]N(\N=C(\C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	86
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])C(=N\N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])\C([H])([H])[H]	9.8
[H]N(\N=C(/[H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	8.8
BrC1=CC(\C=N\NC2=NC3=CC=CC=C3N=C2CC2=CC=CC=C2)=CC=C1	9.8
[H]N(\N=C(/[H])C1=C(C([H])=C([H])S1)C([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	74
[H]C([H])=NN([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	86
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NN=C2N1C1=C([H])C([H])=C([H])C([H])=C1N=C2C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	82
ClC1=CC=CC=C1C1=NN=C2N1C1=CC=CC=C1N=C2CC1=CC=CC=C1	6.1
COC1=CC=C(C=C1OC)C1=NN=C2N1C1=CC=CC=C1N=C2C(=O)C1=CC=CC=C1	6.8
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C1=NC2=C([H])C([H])=C([H])C([H])=C2N2C(=NN=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	2.7
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C1=NC2=C([H])C([H])=C([H])C([H])=C2N2C1=NN=C2C1=C([H])C([H])=C([H])C([H])=C1Cl	88
COC1=CC=C(C=C1)C1=NN=C2N1C1=CC=CC=C1N=C2C(=O)C1=CC=CC=C1	6.2
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C1=NC2=C([H])C([H])=C([H])C([H])=C2N2C(=NN=C12)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	2.7
CN(C)C1=C(Br)C=C(C=C1)C1=NN=C2N1C1=CC=CC=C1N=C2C(=O)C1=CC=CC=C1	9.6
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C1=NC2=C([H])C([H])=C([H])C([H])=C2N2C(=NN=C12)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	22
[H]C1=NN=C2N1C1=C([H])C([H])=C([H])C([H])=C1N=C2C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	750
C(C1=CC=CC=C1)C1=NC2=CC=CC=C2N2C=NN=C12	87
[H]N(\N=C(/C1=NC([H])=C([H])S1)C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(C#N)C([H])=C1[H]	2850
[H]N(\N=C(/C1=C([H])C([H])=C([H])C([H])=N1)C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(C#N)C([H])=C1[H]	2850
[H]N(\N=C(/C1=NC([H])=C([H])S1)C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	8970
[H]N(\N=C(/C1=C([H])C([H])=C([H])O1)C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(F)C([H])=C1[H]	5670
[H]N(\N=C(/C1=NC([H])=C([H])S1)C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(F)C([H])=C1[H]	7550
[H]N(\N=C(/C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C([H])=C(F)C([H])=C1[H]	4180
[H]N(\N=C(\[H])C1=C([H])C([H])=C([H])O1)C1=NC(=C([H])S1)C1=C(F)C([H])=C(F)C([H])=C1[H]	9110
[H]N(\N=C(/C1=NC([H])=C([H])S1)C([H])([H])[H])C1=NC(=C([H])S1)C1=C(F)C([H])=C(F)C([H])=C1[H]	5460
[H]N(\N=C(/C1=C([H])C([H])=C([H])C([H])=N1)C([H])([H])[H])C1=NC(=C([H])S1)C1=C(F)C([H])=C(F)C([H])=C1[H]	3040
[H]N1C(=O)C2=C([H])C([H])=C(SC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C2C1=O	380
[H]N1C(=O)C2=C([H])C([H])=C(SC3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])=C2C1=O	1030
[H]N1C(=O)C2=C([H])C([H])=C(SC([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2C1=O	2270
[H]N1C(=O)C2=C([H])C([H])=C(SC3=C([H])C([H])=C(Br)C([H])=C3[H])C([H])=C2C1=O	1010
[H]N1C(=O)C2=C([H])C([H])=C(SC3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])=C2C1=O	1680
[H]N1C(=O)C2=C([H])C([H])=C(SC3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2C1=O	8030
[H]N1C(=O)C2=C([H])C([H])=C(SC([H])([H])C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])C([H])=C2C1=O	1630
[H]N1C(=O)C2=C([H])C([H])=C(SC([H])([H])C3=C([H])C([H])=C(F)C([H])=C3[H])C([H])=C2C1=O	958
[H]N1C(=O)C2=C([H])C([H])=C(SC([H])([H])C3=C([H])C([H])=C(Br)C([H])=C3[H])C([H])=C2C1=O	273
[H]N1C(=O)C2=C([H])C([H])=C(SC([H])([H])C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])=C2C1=O	506
[H]N1C(=O)C2=C([H])C([H])=C(SC([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2C1=O	1920
[H]OC1=C([H])C(OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C1C1=NN(C(=O)C([H])([H])[H])[C@]([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])C1([H])[H]	316.23
[H]C#CC([H])([H])N([H])[C@@]1([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])[C@]1([H])[18F]	2300
CN1C(COC2=CC=CC(=C2)C(F)(F)F)=NC2=C1C(=O)N(C)C(=O)N2C	4590
CN1C(COC2=CC=C(F)C=C2)=NC2=C1C(=O)N(C)C(=O)N2C	8220
[H]OC(=O)C1=C([H])C2=C([H])C(Br)=C([H])C([H])=C2C([H])([H])C1=O	1000
[H]C1=C(C([H])=C2C([H])=C(C(=O)OC([H])([H])C([H])([H])[H])C(=O)C([H])([H])C2=C1[H])C([H])([H])[H]	191
[H]OC(=O)C1=C([H])C2=C([H])C(=C([H])C([H])=C2C([H])([H])C1=O)[N+]([O-])=O	68
[H]C1=C(C([H])=C2C([H])=C(C(Cl)=O)C(=O)C([H])([H])C2=C1[H])C([H])([H])[H]	29
[H]C1=C(C([H])=C2C([H])=C(C(Cl)=O)C(=O)C([H])([H])C2=C1[H])[N+]([O-])=O	29
[H]C1=C(Br)C([H])=C2C([H])=C(C(Cl)=O)C(=O)C([H])([H])C2=C1[H]	20
[H]OC(=O)C1=C([H])C2=C([H])C(Cl)=C([H])C([H])=C2C([H])([H])C1=O	501
[H]C1=C([H])C([H])=C2C(=C1[H])C([H])=C(C(=O)OC([H])([H])C([H])([H])[H])C(=O)C2([H])[H]	229
[H]C1=C(Cl)C([H])=C2C([H])=C(C(Cl)=O)C(=O)C([H])([H])C2=C1[H]	30
[H]C1=C(C([H])=C2C([H])=C(C(=O)OC([H])([H])C([H])([H])[H])C(=O)C([H])([H])C2=C1[H])[N+]([O-])=O	257
[H]C1=C(Br)C([H])=C2C([H])=C(C(=O)OC([H])([H])C([H])([H])[H])C(=O)C([H])([H])C2=C1[H]	209
[H]C1=C(Cl)C([H])=C2C([H])=C(C(=O)OC([H])([H])C([H])([H])[H])C(=O)C([H])([H])C2=C1[H]	501
[H]C1=C([H])C([H])=C2C(=C1[H])C([H])=C(C(Cl)=O)C(=O)C2([H])[H]	60
[H]N(C([H])([H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H])[C@@]1([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2320
[H]N(C(=O)C([H])([H])N([H])[C@@]1([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C(OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H])C1([H])C([H])([H])C1([H])[H]	4470
[H]N(C([H])([H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])[C@@]1([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=C([H])C([H])=C1[H])C(F)(F)F	7900
[H]N(C([H])([H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])[C@@]1([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H]	8600
[H]N(C([H])([H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])[C@@]1([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])N=C(OC([H])([H])[H])C([H])=C1[H]	8100
[H]N(C([H])([H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])[C@@]1([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])N=C1OC([H])([H])[H]	6400
C[C@H](CC1=CC=C(OCCCCCCCCNC2=C3C=CC(Cl)=CC3=NC3=C2CCCC3)C=C1)N(C)CC#C	193
C[C@H](CC1=CC=C(OCCCCCCNC2=C3C=CC(Cl)=CC3=NC3=C2CCCC3)C=C1)N(C)CC#C	521
C[C@H](CC1=CC=C(OCCCCCNC2=C3C=CC(Cl)=CC3=NC3=C2CCCC3)C=C1)N(C)CC#C	2860
C[C@H](CC1=CC=C(OCCCNC2=C3C=CC(Cl)=CC3=NC3=C2CCCC3)C=C1)N(C)CC#C	9050
C[C@H](CC1=CC=C(OCCCCCCCCCCNC2=C3C=CC=CC3=NC3=C2CCCC3)C=C1)N(C)CC#C	372
C[C@H](CC1=CC=C(OCCCCCCNC2=C3C=CC=CC3=NC3=C2CCCC3)C=C1)N(C)CC#C	398
C[C@H](CC1=CC=C(OCCCCCNC2=C3C=CC=CC3=NC3=C2CCCC3)C=C1)N(C)CC#C	1260
C[C@H](CC1=CC=C(OCCCCNC2=C3C=CC=CC3=NC3=C2CCCC3)C=C1)N(C)CC#C	7000
C[C@H](CC1=CC=C(OCCNC2=C3C=CC=CC3=NC3=C2CCCC3)C=C1)N(C)CC#C	4860
CN1C(=CC2=C1C(=O)N(C)C(=O)N2C)N1C=C(N=N1)C1=CC=C(Cl)C=C1	726
CN1C(OCC2=CC=C(Cl)C=C2)=CC2=C1C(=O)N(C)C(=O)N2C	2870
CN1C(=CC2=C1C(=O)N(C)C(=O)N2C)C#CC1=CC=C(Cl)C=C1	2022
CN1C(\C=C\C2=CC=C(Br)C=C2)=CC2=C1C(=O)N(C)C(=O)N2C	1632
CCCOC1=CC=C(\C=C\C2=CC3=C(N2C)C(=O)N(C)C(=O)N3C)C=C1	1300
COC1=CC=C(\C=C\C2=CC3=C(N2C)C(=O)N(C)C(=O)N3C)C=C1	1000
CN1C(\C=C\C2=CC=C(F)C=C2)=CC2=C1C(=O)N(C)C(=O)N2C	812
CN1C(\C=C\C2=CC=CC(=C2)C(F)(F)F)=CC2=C1C(=O)N(C)C(=O)N2C	5690
COC1=CC(\C=C\C2=CC3=C(N2C)C(=O)N(C)C(=O)N3C)=CC=C1	1237
CN1C2=C(C=CC(=C2)C2=CC=CC(Cl)=C2)C2=C1C(=O)N(C)C(=O)N2C	3110
O\C(\C=C\C1=CC(O)=C(O)C=C1)=C/C(=O)C1=CC=CC=C1O	431
O\C(\C=C\C1=CC=C(O)C=C1)=C/C(=O)C1=CC=CC=C1O	1520
COC1=C(O)C=CC(\C=C\C(\O)=C\C(=O)C2=C(OC)C=CC=C2O)=C1	3760
COC1=C(O)C=CC(\C=C\C=C\C(=O)C2=C(O)C=CC=C2O)=C1	1430
COC1=C(O)C=CC(\C=C\C=C\C(=O)C2=C(OC)C=CC=C2O)=C1	1030
COC1=C(O)C=CC(\C=C\C=C\C(=O)C2=CC=CC=C2O)=C1	1560
CC(C)C[C@@H](CF)N(C)CC#C	2000
CN(CC#C)[C@H](CF)CC1=CC=CO1	2000
CN(CC#C)[C@H](CF)CC(C)=C	2000