pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.79	AttenGpKa training set	0	-1	O=S(=O)(c1ccc(O)cc1)C(F)(F)F	O=S(=O)(c1ccc([O-])cc1)C(F)(F)F	mol30705	O=S(=O)(c1ccc(O)cc1)C(F)(F)F