smile	binding.affinity
[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H]	8700
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])P(=O)(O[H])O[H]	425
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])OP(=O)(O[H])O[H]	1575
[H]OC(=O)[C@@]1([H])C([H])([H])C(N([H])[H])(C(=O)O[H])C([H])([H])[C@]1([H])C(=O)O[H]	8800
[H]OC(=O)[C@@]([H])(N([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])P(=O)(O[H])O[H]	4950
[H]OC(=O)[C@@]1(N([H])[H])C([H])([H])[C@]1([H])C([H])([H])P(=O)(O[H])O[H]	4875
[H]OC(=O)C1(N([H])[H])C([H])([H])C(=C([H])P(=O)(O[H])O[H])C1([H])[H]	4400
[H]C1=NN(C2=NC([H])=NC(N3C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C3([H])[H])=C12)C1=C([H])C([H])=C(C([H])=C1C([H])([H])[H])C([H])([H])[H]	4600
[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])[H])C([H])=C1[H]	1700
[H]OC1=C([H])C([H])=C([H])C(\C([H])=N\N([H])C2=NC3=C([H])C([H])=C([H])C([H])=C3N=C2C([H])([H])[H])=C1[H]	2400
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C(=O)N(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])[C@@]1([H])[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	3000
[H]OC1=C(\C([H])=N\N([H])C2=NC3=C([H])C([H])=C([H])C([H])=C3N=C2C([H])([H])[H])C([H])=C([H])C([H])=C1[H]	4100
[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])[H]	4400
[H]N(\N=C(/[H])C1=C([H])C([H])=C(F)C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])[H]	5000
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(F)C([H])=C1[H]	778
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C(OC([H])([H])[H])C([H])=C1[H]	1075
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]	9830
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	4325
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(OC([H])(F)F)=C([H])C([H])=C1[H]	338
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(OC(F)(F)F)=C([H])C([H])=C1[H]	4660
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(=C([H])C([H])=C1[H])C(F)(F)F	4275
[H]N(C(=O)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(Cl)C(Cl)=C1[H]	4770
[H]N(C(=O)C1=C([H])C([H])=C(Br)O1)C1=C([H])C([H])=C(Cl)C(Cl)=C1[H]	4100
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(Cl)C(Cl)=C1[H]	1385
[H]N(C(=O)C1=NC([H])=NC([H])=C1[H])C1=C([H])C([H])=C(Cl)C(Cl)=C1[H]	2820
[H]N(C(=O)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(Br)C(=C1[H])C([H])([H])[H]	5000
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=NC(OC([H])([H])[H])=C(Cl)C([H])=C1[H]	5000
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(=C(Cl)C([H])=C1[H])C(F)(F)F	2075
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(=C(C#N)C([H])=C1[H])C(F)(F)F	5885
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	1095
[H]N(C(=O)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C(Cl)=C1[H]	5000
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(C([H])=C1[H])C([H])([H])[H]	561
[H]O\N=C1\C2=C([H])C([H])=C([H])C([H])=C2O[C@@]2(C(=O)N([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])[C@@]12[H]	4740
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(=C(F)C([H])=C1[H])C(F)(F)F	1515
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(Cl)C([H])=C1[H]	240
[H]N(C(=O)[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])[H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H]	9600
[H]N([H])C(=O)[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C(=O)N([H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H]	950
[H]N([H])C1=NC([H])=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1000
[H]\C(=C(\[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=NC(=NC([H])=C1[H])C([H])([H])[H]	6900
[H]SC1=NC([H])=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	7800
[H]N([H])C1=NC(=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	800
[H]N([H])C1=NC([H])=C(C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	200
[H]N([H])C1=NC(=C(C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	1600
[H]N([H])C1=NC(OC([H])([H])[H])=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2000
[H]N([H])C1=NC(=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(F)(F)F	600
[H]N([H])C1=NC([H])=C(Cl)C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1600
[H]N([H])C1=NC([H])=C(Br)C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1300
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5800
[H]N(C(=O)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(C([H])=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	5960
[H]OC(=O)[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C(=O)N([H])C1=C([H])C(F)=C([H])C(Cl)=C1[H]	2000
[H]OC(=O)[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C(=O)N([H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H]	745
[H]N([H])C(=O)[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])[C@]1([H])C(=O)N([H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H]	3100
[H]OC(=O)[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])[C@]1([H])C(=O)N([H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H]	2700
[H]N(C(=O)[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C#N)C1=C([H])C(Cl)=C([H])C(Cl)=C1[H]	2000
[H]C1=C(Cl)C([H])=C(C([H])=C1Cl)N1C(=O)[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C1=O	3300
[H]N([H])C1=NC([H])=C([H])C(=N1)C(\[H])=C(/[H])C1=C(F)C([H])=C([H])C([H])=C1[H]	2900
[H]N([H])C1=NC([H])=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C(F)=C([H])C([H])=C1[H]	4500
[H]N([H])C1=NC([H])=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	4500
[H]N([H])C1=NC([H])=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])S1	4100
[H]N([H])C1=NC([H])=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])O1	9400
[H]N(C(=O)C(=O)OC([H])([H])C([H])([H])[H])C1=NC([H])=C([H])C(=N1)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5000
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1030
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])S(=O)(=O)C1=C(Cl)C([H])=C([H])C([H])=C1[H]	2170
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	237
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(=C(Cl)C([H])=C1[H])S(=O)(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C1Cl	731
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	19.9
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(OC([H])([H])[H])C([H])=C([H])C([H])=C1[H]	132
[H]N(C(=O)C1=NC([H])=C([H])S1)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N(C1=C(Cl)C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	686
[H]N(C(=O)C1=NC([H])=NC([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N(C1=C(Cl)C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	990
[H]N(C(=O)C1=C([H])SC([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	269
[H]N(C(=O)C1=NC([H])=C([H])S1)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	77.4
[H]N(C(=O)C1=NC([H])=NC([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	478
[H]N(C(=O)C1=NC(F)=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	122
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N1C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])[H]	372
[H]N([H])C1=NC([H])=C([H])C(=N1)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2O1	4900
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C([H])([H])C1([H])C([H])([H])C1([H])[H]	5000
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(F)C([H])=C([H])C(F)=C1[H]	325
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(F)C([H])=C([H])C([H])=C1[H]	206
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	27
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	177
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C1=C(C([H])=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	159
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(OC([H])([H])[H])=C(N([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2Cl)C([H])=C1[H]	97.391925
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(N([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2Cl)C([H])=C1[H]	522.9087955
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(F)=C(N([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2Cl)C([H])=C1[H]	518.0436245
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)C([H])([H])C([H])([H])C1=O	6078.898107
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)C2=C([H])C([H])=C([H])C([H])=C2C1=O	59.8605545
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)C2=C(C1=O)C(Cl)=C([H])C([H])=C2[H]	44.520096
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C1=O	317.7288635
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)[C@@]2([H])[C@]3([H])O[C@@]([H])(C([H])([H])C3([H])[H])[C@@]2([H])C1=O	1367.8622855
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)[C@@]2([H])[C@@]3([H])C([H])=C([H])[C@]([H])(C3([H])[H])[C@@]2([H])C1=O	304.37298
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)[C@@]2([H])[C@@]([H])(C1=O)C2(C([H])([H])[H])C([H])([H])[H]	453.750526
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)C([H])([H])C(C1=O)(C([H])([H])[H])C([H])([H])[H]	1441.174272
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)C([H])([H])C2(C1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	156.1925925
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)C([H])([H])[C@]([H])(C1=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	748.687058
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)C([H])([H])[C@](C1=O)(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	803.8327085
[H]N(C(=O)C1=C([H])C([H])=C(Br)O1)C1=C([H])C([H])=C(N([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2Cl)C(OC([H])([H])[H])=C1[H]	1440
[H]N(C(=O)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(N([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2Cl)C(OC([H])([H])[H])=C1[H]	977
[H]N(C(=O)C1=C([H])C([H])=C([H])S1)C1=C([H])C(OC([H])([H])[H])=C(N([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2Cl)C([H])=C1[H]	1170
[H]N(C(=O)C1=NC([H])=C([H])S1)C1=C([H])C([H])=C(N([H])C(=O)C2=C(Cl)C([H])=C([H])C([H])=C2[H])C(OC([H])([H])[H])=C1[H]	627
[H]N(C(=O)C1=C([H])SC([H])=N1)C1=C([H])C([H])=C(N([H])C(=O)C2=C(Cl)C([H])=C([H])C([H])=C2[H])C(OC([H])([H])[H])=C1[H]	845
[H]N(C(=O)C1=NC([H])=C([H])N=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C(Cl)C([H])=C([H])C([H])=C2[H])C(OC([H])([H])[H])=C1[H]	1780
[H]N(C(=O)C1=NC([H])=NC([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C(Cl)C([H])=C([H])C([H])=C2[H])C(OC([H])([H])[H])=C1[H]	1330
[H]N(C(=O)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C(Cl)C([H])=C([H])C([H])=C2[H])C(OC([H])([H])[H])=C1[H]	1120
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C(Cl)C([H])=C([H])C([H])=C2[H])C(=C1[H])C(F)(F)F	2090
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C(Cl)C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	1605
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C(Cl)=C1[H]	958
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C(Cl)=C1[H]	426
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C(Cl)=C1[H]	361
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C(Cl)C([H])=C(F)C([H])=C2[H])C(Cl)=C1[H]	114
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])C(Cl)=C1[H]	4270
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C(F)C([H])=C([H])C([H])=C2[H])C(Cl)=C1[H]	2380
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C([H])C(Cl)=C([H])C(Cl)=C2[H])C(Cl)=C1[H]	2150
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C([H])N=C([H])S2)C(Cl)=C1[H]	2180
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=NC([H])=C([H])S2)C(Cl)=C1[H]	403
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C([H])C([H])=C([H])S2)C(Cl)=C1[H]	1040
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(N([H])C(=O)C2=C([H])C3=C(C([H])=C([H])C([H])=C3[H])N2C([H])([H])[H])C(Cl)=C1[H]	4720
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(C([H])=C1[H])N(C([H])=C2[H])C(=O)C1=C([H])C([H])=C(F)C([H])=C1Cl	1420
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(C([H])=C1[H])N(C([H])=C2[H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H]	1410
[H]OC(=O)[C@]1(N([H])[H])C([H])([H])[C@@]1(C([H])([H])[H])C([H])([H])P(=O)(O[H])O[H]	600
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(OC([H])([H])[H])=C([H])C([H])=N1	100
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(=C([H])C([H])=N1)C([H])([H])[H]	51
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(N([H])C([H])([H])C([H])([H])[H])=C([H])C([H])=C1[H]	600
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(=C([H])C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	340
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(OC([H])([H])C([H])([H])OC([H])([H])[H])=C([H])C([H])=C1[H]	390
[H]OC([H])([H])C1=C([H])C([H])=C([H])C(=N1)N([H])C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21	2700
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(C#N)=C([H])C([H])=C1[H]	4900
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(OC([H])([H])C([H])([H])[H])=C([H])C([H])=C1[H]	290
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(OC([H])([H])[H])=C([H])C([H])=C1[H]	650
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(Cl)=C([H])C([H])=C1[H]	1100
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(F)=C([H])C([H])=C1[H]	105
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC([H])=C(F)C([H])=C1[H]	750
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC(=C([H])C([H])=C1[H])C([H])([H])[H]	140
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC([H])=C([H])C([H])=C1C([H])([H])[H]	3400
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1300
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NN(C([H])=C1[H])C([H])([H])[H]	3000
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NN([H])C(=C1[H])C([H])([H])[H]	2400
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NN([H])C([H])=C1[H]	3200
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC([H])=C([H])C([H])=N1	7
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC([H])=NC([H])=C1[H]	1300
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC([H])=C([H])C([H])=C1[H]	9
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=C([H])C([H])=C([H])C(=N1)C([H])([H])[H]	910
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=NC([H])=C([H])C([H])=N1	65
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=C([H])C([H])=C([H])C([H])=C1[H]	2200
[H]N(C1=NC2=C(S1)C([H])([H])C([H])([H])C1=NN([H])C([H])=C21)C1=C([H])C([H])=C([H])C([H])=N1	220
[H]N(C1=NC(=C([H])S1)C1=C([H])N([H])N=C1C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=N1	56
[H]C1=NN(C2=NC([H])=NC(N3C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C3([H])[H])=C12)C1=C([H])C(=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])[H]	4600
[H]N(C1=NC(=C([H])S1)C1=C([H])N([H])N=C1[H])C1=C([H])C([H])=C([H])C([H])=N1	410
[H]N(C1=NC(=C(S1)C([H])([H])[H])C1=C([H])N([H])N=C1[H])C1=C([H])C([H])=C([H])C([H])=N1	13
[H]N(C(=O)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[H])N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O	226
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O	402
[H]N(C(=O)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O	765
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O	136
[H]N(C(=O)C1=NC(F)=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O	1800
[H]N(C(=O)C1=NC([H])=NC([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O	179
[H]N(C(=O)C1=NC([H])=C([H])S1)C1=C([H])C([H])=C(C([H])=C1[H])N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O	353
[H]N(C(=O)C1=C([H])SC([H])=N1)C1=C([H])C([H])=C(C([H])=C1[H])N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O	104
[H]N(C(=O)C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1F)N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O	1100
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O)C([H])([H])C1=NC([H])=C([H])C([H])=C1[H]	1800
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1S(=O)(=O)C2=C(C([H])=C([H])C([H])=C2[H])S1(=O)=O)C1(C2=NC([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	6400
[H]C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])C(=O)C1=C([H])C([H])=C(Cl)N=C1[H]	8000
[H]OC1=C([H])C([H])=C(C(=O)C([H])([H])OC2=C([H])C([H])=C([H])C([H])=C2Br)C(O[H])=C1[H]	1400
[H]C1=C([H])C([H])=C([H])C(=N1)C(=O)C([H])([H])OC1=C([H])C([H])=C([H])C([H])=C1Br	4600
[H]C1=C([H])C([H])=C(OC([H])([H])C(=O)C2=C([H])C([H])=C(Cl)N=C2[H])C(Br)=C1[H]	8200
[H]C1=C([H])C(Br)=C([H])C(OC([H])([H])C(=O)C2=C([H])C([H])=C(Cl)N=C2[H])=C1[H]	7700
[H]C1=NC(Cl)=C([H])C([H])=C1C(=O)C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F	4700
[H]O\N=C1\C2=C(O[C@@]3(C(=O)N([H])C4=C([H])C([H])=C([H])C([H])=N4)C([H])([H])[C@@]13[H])C([H])=C([H])C([H])=C2[H]	380
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	250
[H]N1C([H])=C([H])C2=C1N=C([H])C([H])=C2C1=C([H])N(N=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2700
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	220
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1F	1100
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C(F)=C1[H]	3100
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C(F)C([H])=C1[H]	2900
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=N1	2100
[H]C1=C([H])C([H])=C(S1)N1N=C([H])C(=C1[H])C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12	4300
[H]C1=C(C(=NN1C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12	480
[H]C1=NN(C(=C1C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	670
[H]C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=C1[H])C1=C(N(N=C1C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	840
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(F)=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	730
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(=C([H])C([H])=C12)C(F)(F)F)C1=C([H])C([H])=C([H])C([H])=C1[H]	550
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(Cl)=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	590
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	220
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC([H])([H])C([H])([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	540
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	640
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC([H])([H])C([H])([H])OC([H])([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	390
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC([H])([H])C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	2800
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC([H])([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	6000
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=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])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	1800
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC([H])([H])C([H])([H])N3C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C3([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	690
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC(=O)N(C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	950
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC(=O)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	390
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC(=O)N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	190
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC(=O)N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	500
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C([H])C(OC(=O)N3C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	900
[H]C1=NN(C([H])=C1C1=NC([H])=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H]	3500
[H]N1C([H])=C(C2=C([H])N(N=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C1C([H])=C([H])C([H])=C2[H]	2500
[H]N1N=C(C2=C([H])N(N=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C1C([H])=C([H])C([H])=C2[H]	2400
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC2=C1C([H])([H])C([H])([H])C2([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2300
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC(=C1C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1200
[H]C1=NN(C([H])=C1C1=C([H])C([H])=NC([H])=C1C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5100