pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.22	AttenGpKa training set	0	-1	O=C(c1ccccc1)c1ccc(NS(=O)(=O)C(F)(F)F)cc1	O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)C(F)(F)F)cc1	mol28750	O=C(c1ccccc1)c1ccc(NS(=O)(=O)C(F)(F)F)cc1