pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.75	AttenGpKa training set	0	-1	CCSC(O)(O)C(F)(F)F	CCSC([O-])(O)C(F)(F)F	mol31186	CCSC(O)(O)C(F)(F)F
4.87	AttenGpKa training set	0	-1	CCSC(O)(O)C(F)(F)F	CCSC([O-])(O)C(F)(F)F	mol31186	CCSC(O)(O)C(F)(F)F
8.6899995803833	QSARToolbox	-1	-2	CCSC([O-])(O)C(F)(F)F	CCSC([O-])([O-])C(F)(F)F	mol31186	CCSC(O)(O)C(F)(F)F
8.69	AttenGpKa training set	-1	-2	CCSC([O-])(O)C(F)(F)F	CCSC([O-])([O-])C(F)(F)F	mol31186	CCSC(O)(O)C(F)(F)F