smile	binding.affinity
[H]N([H])S(=O)(=O)C1=NN(\C(S1)=N\C(=O)C([H])([H])[H])C([H])([H])[H]	62
[H]N([H])S(=O)(=O)C1=NC2=C(S1)C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H]	19
[H]N([H])C1=C(C([H])=C([H])C([H])=C1[H])S(=O)(=O)N([H])[H]	9560
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	3650
[H]N([H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	3500
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	2430
[H]N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	8950
[H]N([H])C1=C(F)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	4220
[H]N([H])C1=C(Cl)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	4300
[H]N([H])C1=C(Br)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	3540
[H]N([H])C1=C(I)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	3300
[H]N([H])C1=C(C([H])=C(C(=C1[H])C(F)(F)F)S(=O)(=O)N([H])[H])S(=O)(=O)N([H])[H]	6560
[H]N([H])C1=C(C([H])=C(C(Cl)=C1[H])S(=O)(=O)N([H])[H])S(=O)(=O)N([H])[H]	6210
[H]N([H])C1=NN=C(S1)S(=O)(=O)N([H])[H]	2150
[H]N=C1SC(=NN1C([H])([H])[H])S(=O)(=O)N([H])[H]	2075
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=NN=C(S1)S(=O)(=O)N([H])[H]	30
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	24
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	42
[H]OC1=C([H])C2=C(N=C(S2)S(=O)(=O)N([H])[H])C([H])=C1[H]	41
[H]N([H])S(=O)(=O)C1=NN=C(S1)C1=C([H])C([H])=C([H])C([H])=C1Cl	30
[H]OC([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	7450
[H]OC([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	7000
[H]OC(=O)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	1560
[H]N([H])N([H])C1=C(C([H])=C([H])C([H])=C1[H])S(=O)(=O)N([H])[H]	3400
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])C(=O)C([H])([H])[H]	54
[H]N([H])S(=O)(=O)C1=C([H])C(=C(Cl)C(Cl)=C1[H])S(=O)(=O)N([H])[H]	21
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]2([H])N([H])C([H])([H])C([H])([H])[H]	33
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])C([H])([H])[C@]2([H])N([H])C([H])([H])C([H])([H])[H]	30
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	34
[H]N([H])S(=O)(=O)OC([H])([H])[C@]12OC(O[C@@]1([H])[C@]1([H])OC(O[C@]1([H])C([H])([H])O2)(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	30
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C(=C1[H])C(=O)N([H])C([H])([H])[C@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]	18
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C2N([H])C([H])=C(Cl)C2=C([H])C([H])=C1[H]	23
[H]N([H])S(=O)(=O)N([H])C([H])([H])[C@]12OC(O[C@@]1([H])[C@]1([H])OC(O[C@]1([H])C([H])([H])O2)(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	21
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	690
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	937
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	844
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C(Br)C([H])=C([H])C([H])=C1[H]	947
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C(Br)=C([H])C([H])=C1[H]	858
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C(Br)C([H])=C1[H]	672
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H]	924
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C(F)C(F)=C(F)C(F)=C1F	862
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	506
[H]OC1=C([H])C(O[H])=C([H])C([H])=C1[H]	7100
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H]	814
[H]OC(=O)C1=C([H])C(=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C(N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=C1[H])S(=O)(=O)N([H])[H]	159
[H]OC(=O)C1=C([H])C([H])=C(O[H])C([H])=C1[H]	8815
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1100
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	906
[H]N([H])S(=O)(=O)OC1=C([H])C2=C(C([H])=C1[H])C1=C(C(=O)O2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	720
[H]N([H])S(=O)(=O)OC1=C([H])C([H])=C2C([H])=C(C([H])([H])C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])S(=O)(=O)C2=C1[H]	18
[H]N([H])S(=O)(=O)C1=C([H])C2=C(N([H])[C@]([H])(N([H])S2(=O)=O)C([H])(Cl)Cl)C([H])=C1Cl	134
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C(F)C([H])=C([H])C([H])=C1[H]	941
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C(F)=C([H])C([H])=C1[H]	910
[H]N([H])S(=O)(=O)C1=C(Cl)C([H])=C([H])C(=C1[H])C(=O)N([H])N1C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])[C@@]1([H])C([H])([H])[H]	274
[H]OC(=O)C1=C([H])C(=C(Cl)C([H])=C1N([H])C([H])([H])C1=C([H])C([H])=C([H])O1)S(=O)(=O)N([H])[H]	322
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	576
[H]OC1=C(O[H])C([H])=C([H])C([H])=C1[H]	4200
[H]N([H])S(=O)(=O)C1=C([H])C2=C(N([H])C([H])([H])N([H])S2(=O)=O)C([H])=C1Cl	603
[H]N([H])S(=O)(=O)C1=C(C([H])=C2N([H])C([H])([H])N([H])S(=O)(=O)C2=C1[H])C(F)(F)F	429
[H]N([H])S(=O)(=O)C1=C(Cl)C([H])=C2N([H])[C@]([H])(N(C(=O)C2=C1[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	312
[H]O[C@@]1(N([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C(=C(Cl)C([H])=C1[H])S(=O)(=O)N([H])[H]	9
[H]N([H])S(=O)(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	1172.5
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	8.2
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C(F)=C1[H]	8.1
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C(Cl)=C1[H]	8.1
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C(Br)=C1[H]	5.9
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])C(=O)C([H])([H])C1=C([H])C([H])=C([H])S1	7.2
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C1=C([H])C([H])=C([H])S1	8
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])C(=O)C([H])([H])C1=C([H])C([H])=C([H])S1	7.4
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	7.9
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	8.3
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C2=C([H])C([H])=C([H])S2)C([H])=C1[H]	7
[H]N([H])S(=O)(=O)C1=C([H])C(F)=C(N([H])C(=O)C([H])([H])C2=C([H])C([H])=C([H])S2)C([H])=C1[H]	7.9
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C2=NC([H])=C([H])C([H])=C2[H])C([H])=C1[H]	6.8
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C2=C([H])C([H])=NC([H])=C2[H])C([H])=C1[H]	9
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	9.3
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	6.1
[H]N([H])S(=O)(=O)C1=C([H])C(Cl)=C(N([H])C(=O)C([H])([H])C2=C([H])C([H])=C([H])S2)C([H])=C1[H]	8.6
[H]N([H])S(=O)(=O)C1=C([H])C(Br)=C(N([H])C(=O)C([H])([H])C2=C([H])C([H])=C([H])S2)C([H])=C1[H]	8.7
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=NC(=C1[H])C1=C(C([H])=C([H])C([H])=C1[H])C(F)(F)F	12.9
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=NC(=C1[H])C1=C(C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H]	10.5
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=NC(=C1[H])C1=C([H])C(=C(F)C([H])=C1[H])C([H])([H])[H]	52.3
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=NC(=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	11.2
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=NC(=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	11.9
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=NC(=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	51.8
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=NC(=C1[H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	11.4
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=NC(=C1[H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H]	54.2
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=NC(=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	10.6
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=NC(=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	10.6
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N=[N+]=[N-])C([H])=C1[H]	55.8
[H]N([H])S(=O)(=O)C([H])([H])C1=NOC2=C([H])C([H])=C([H])C([H])=C12	6033
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	2800
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)C(F)(F)F	3900
[H]N([H])S(=O)(=O)N([H])C1=NN=C(SC([H])([H])[H])S1	2900
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)C1=C([H])C([H])=C([H])C([H])=C1[H]	7500
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	1300
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)C1=C([H])C([H])=C(Br)C([H])=C1[H]	4500
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)S(=O)(=O)C([H])([H])[H]	2700
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C2N([H])C(=NC2=C1[H])C1=C([H])SC([H])=N1	40.9
[H]C1=C([H])C2=C([H])C(=C([H])C([H])=C2OC1=O)C([H])([H])[N@+]12C([H])([H])[N@]3C([H])([H])[N@](C([H])([H])[N@](C3([H])[H])C1([H])[H])C2([H])[H]	5000
[H]N([H])C([H])([H])C1=C([H])C([H])=C2OC(=O)C([H])=C([H])C2=C1[H]	4700
[H]OC([H])([H])C1=C([H])C([H])=C2OC(=O)C([H])=C([H])C2=C1[H]	9700
[H]OC([H])([H])C1=C([H])C([H])=C2OC(=O)C(=C([H])C2=C1[H])C(=O)OC([H])([H])C([H])([H])[H]	7800
[H]OC([H])([H])C1=C([H])C([H])=C2OC(=O)C(=C([H])C2=C1[H])C(=O)OC([H])([H])[H]	7400
[H]OC(=O)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2SC1=O	7300
[H]OC(=O)C1=C([H])C2=C([H])C(=C([H])C([H])=C2OC1=O)C([H])([H])O[H]	9800
[H]OC(=O)C1=C([H])C2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C2OC1=O	9600
[H]OC(=O)C1=C([H])C2=C([H])C(=C([H])C([H])=C2OC1=O)C([H])([H])[H]	8200
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C2C([H])=C([H])C(=O)OC2=C1[H]	6000
[H]C1=C([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C2OC1=O	7860
[H]C1=C([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])[H])C([H])=C2OC1=O	8600
[H]C1=C([H])C2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2OC1=O	9000
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C2=C1C1=C([H])C([H])=C(N=C1SC2([H])[H])C([H])([H])[H]	3270
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C2=C1C1=C([H])C([H])=C([H])N=C1SC2([H])[H]	3180
[H]N(C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])OC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	341
CC1(C)OB(OC1(C)C)C1=CC=C(NS(N)(=O)=O)C=C1	75
[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	9080
[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]	7760
[H]OC(=O)C1=C([H])C(O[H])=C(O[H])C(O[H])=C1[H]	9970
[H]C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	710
[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	580
[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	540
[H]N([H])C([H])([H])C([H])([H])N([H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	61
[H]N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=C1[H]	1050
[H]N(C(=O)C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C(F)(F)F	1050
[H]N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	1135
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])S(=O)(=O)C([H])([H])[C@]23C(=O)C([H])([H])[C@]([H])(C([H])([H])C2([H])[H])C3(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	28.2
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])S(=O)(=O)C([H])([H])[C@]12C(=O)C([H])([H])[C@]([H])(C([H])([H])C1([H])[H])C2(C([H])([H])[H])C([H])([H])[H]	53.8
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])S(=O)(=O)C([H])([H])[C@]12C(=O)C([H])([H])[C@]([H])(C([H])([H])C1([H])[H])C2(C([H])([H])[H])C([H])([H])[H]	45.15
[H]N([H])S(=O)(=O)C1=C([H])C(N([H])S(=O)(=O)C([H])([H])[C@]23C(=O)C([H])([H])[C@]([H])(C([H])([H])C2([H])[H])C3(C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C1[H]	41.35
[H]N([H])S(=O)(=O)C1=NN(\C(S1)=N\S(=O)(=O)C([H])([H])[C@]12C(=O)C([H])([H])[C@]([H])(C([H])([H])C1([H])[H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	7.55
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])S1(=O)=O	91
[H]N([H])S(=O)(=O)OC([H])([H])[C@]12OC(O[C@@]1([H])[C@]1([H])OC(O[C@]1([H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	30
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])C(=O)[C@]12C([H])([H])[C@@]3([H])C([H])([H])[C@]([H])(C([H])([H])[C@]([H])(C3([H])[H])C1([H])[H])C2([H])[H]	237
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])C(=O)N([H])[C@]12C([H])([H])[C@@]3([H])C([H])([H])[C@]([H])(C([H])([H])[C@]([H])(C3([H])[H])C1([H])[H])C2([H])[H]	45
[H]OC(=O)C([H])([H])N([H])C1=NC(=NC(Cl)=N1)N([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	24
[H]OC(=O)C([H])([H])N([H])C1=NC(=NC(Cl)=N1)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	23
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C11C2=C([H])C([H])=C(C([H])=C2OC2=C1C([H])=C([H])C(=C2[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	310
[H]N([H])S(=O)(=O)C1=C([H])C(=C([H])C([H])=C1[H])N1C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C11C2=C([H])C([H])=C(C([H])=C2OC2=C1C([H])=C([H])C(=C2[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	321
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C11C2=C([H])C([H])=C(C([H])=C2OC2=C1C([H])=C([H])C(=C2[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	513
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C11C2=C([H])C([H])=C(C([H])=C2OC2=C1C([H])=C([H])C(=C2[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	427
CC[Hg]SC1=CC=CC=C1C(O)=O	5870
[H]C1=C([H])C2=C(OC(=O)C(Cl)=C2C([H])([H])[H])C([H])=C1OP(=S)(OC([H])([H])C([H])([H])[H])OC([H])([H])C([H])([H])[H]	3410
[H]N1C(=O)C([H])=C([H])C2=C1C([H])=C([H])C([H])=C2[H]	750
[H]O\N=C1/OC2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H]	58
[H]O\N=C1\OC(=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])[H]	47
[H]OC(=S)C1=C([H])C([H])=C([H])C([H])=C1[H]	2350
[H]SC1=C([H])C([H])=C([H])C([H])=[N+]1[O-]	3550
[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])C(O[H])=C([H])C(O[H])=C2[H])C([H])=C1[H]	3940
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@]([H])(N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H])C([H])([H])[H]	890
[H]O\C(\C(\[H])=C(/[H])C1=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C1[H])=C(\[H])C(=O)C(\[H])=C(/[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	9460
[H]OC1=C([H])C2=C(C(O[H])=C1[H])C([H])([H])[C@]([H])(O[H])[C@]([H])(O2)C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	4020
[H]N([H])C1=C(Cl)C([H])=C(C([H])=C1F)S(=O)(=O)N([H])C1=NN=C(S1)S(=O)(=O)N([H])[H]	18
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])C(=O)C([H])([H])[C@]12C([H])([H])[C@@]3([H])C([H])([H])[C@]([H])(C([H])([H])[C@]([H])(C3([H])[H])C1([H])[H])C2([H])[H]	416
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[N+]1=C(C([H])=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	70
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C([H])=C1C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C(F)(F)F	93
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C2=C1C1=C([H])C([H])=C(C([H])=C1SC2([H])[H])C(F)(F)F	3250
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C2=C1C1=C([H])C([H])=C(Cl)C([H])=C1SC2([H])[H]	3140
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C2=C1C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1SC2([H])[H]	1072
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C(ON=C1C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	88
[H]N([H])C1=C(C(=O)C2=C(O1)C([H])=C([H])C(Cl)=C2[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2820
[H]N([H])C1=C(C(=O)C2=C(O1)C([H])=C([H])C(Cl)=C2[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	2480
CC(=O)OC[C@H]1O[C@@H](CC(=O)\C=C\C2=CC=C(O)C=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	4600
CC(=O)OC[C@H]1O[C@@H](CC(=O)\C=C\C2=CC(O)=CC=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	6450