pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	IUPAC digitized pKa	0	-1	O=C(O)[C@H]1CC[C@H]1C(=O)O	O=C([O-])[C@H]1CC[C@H]1C(=O)O	mol9560	O=C(O)[C@H]1CC[C@H]1C(=O)O
4.086666667	AttenGpKa training set	0	-1	O=C(O)[C@H]1CC[C@H]1C(=O)O	O=C([O-])[C@H]1CC[C@H]1C(=O)O	mol9560	O=C(O)[C@H]1CC[C@H]1C(=O)O
6.23	IUPAC digitized pKa	-1	-2	O=C([O-])[C@H]1CC[C@H]1C(=O)O	O=C([O-])[C@H]1CC[C@H]1C(=O)[O-]	mol9560	O=C(O)[C@H]1CC[C@H]1C(=O)O
4.19999980926514	QSARToolbox	-1	-2	O=C([O-])[C@H]1CC[C@H]1C(=O)O	O=C([O-])[C@H]1CC[C@H]1C(=O)[O-]	mol9560	O=C(O)[C@H]1CC[C@H]1C(=O)O
6.226666667	AttenGpKa training set	-1	-2	O=C([O-])[C@H]1CC[C@H]1C(=O)O	O=C([O-])[C@H]1CC[C@H]1C(=O)[O-]	mol9560	O=C(O)[C@H]1CC[C@H]1C(=O)O