pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.59	AttenGpKa training set	0	-1	O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F	O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F	mol28740	O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F