pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.82999992370606	QSARToolbox	0	-1	CCOC(=O)CS(=O)(=O)C(F)(F)F	CCOC(=O)[CH-]S(=O)(=O)C(F)(F)F	mol27462	CCOC(=O)CS(=O)(=O)C(F)(F)F
6.83	AttenGpKa training set	0	-1	CCOC(=O)CS(=O)(=O)C(F)(F)F	CCOC(=O)[CH-]S(=O)(=O)C(F)(F)F	mol27462	CCOC(=O)CS(=O)(=O)C(F)(F)F