pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.09	AttenGpKa training set	0	-1	NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	[NH-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	mol28525	NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1