pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.655	IUPAC digitized pKa	0	-1	CSCC(=O)O	CSCC(=O)[O-]	mol9044	CSCC(=O)O
3.67	Datawarrior	0	-1	CSCC(=O)O	CSCC(=O)[O-]	mol9044	CSCC(=O)O
3.72	OCHEM	0	-1	CSCC(=O)O	CSCC(=O)[O-]	mol9044	CSCC(=O)O
3.6700001	OCHEM	0	-1	CSCC(=O)O	CSCC(=O)[O-]	mol9044	CSCC(=O)O
3.72000002861023	QSARToolbox	0	-1	CSCC(=O)O	CSCC(=O)[O-]	mol9044	CSCC(=O)O
3.66000008583069	QSARToolbox	0	-1	CSCC(=O)O	CSCC(=O)[O-]	mol9044	CSCC(=O)O
3.69	AttenGpKa training set	0	-1	CSCC(=O)O	CSCC(=O)[O-]	mol9044	CSCC(=O)O