pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	AttenGpKa training set	0	-1	COc1ccc(NS(=O)(=O)C(F)(F)F)cc1	COc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1	mol28475	COc1ccc(NS(=O)(=O)C(F)(F)F)cc1