pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.19	AttenGpKa training set	0	-1	CCSC(C)(O)O	CCSC(C)([O-])O	mol15947	CCSC(C)(O)O
12.13	Datawarrior	-1	-2	CCSC(C)([O-])O	CCSC(C)([O-])[O-]	mol15947	CCSC(C)(O)O
12.1000003814697	QSARToolbox	-1	-2	CCSC(C)([O-])O	CCSC(C)([O-])[O-]	mol15947	CCSC(C)(O)O
12.1300001144409	QSARToolbox	-1	-2	CCSC(C)([O-])O	CCSC(C)([O-])[O-]	mol15947	CCSC(C)(O)O