pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Novartis	1	0	CS(=O)(=O)c1ccc(-c2c[nH+]c(N)c(-c3ccc(C(F)(F)F)nc3)c2)cc1,CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)[nH+]c3)c2)cc1,CS(=O)(=O)c1ccc(-c2cnc([NH3+])c(-c3ccc(C(F)(F)F)nc3)c2)cc1	CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)c2)cc1	mol2882	CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)c2)cc1