pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.03	IUPAC digitized pKa	0	-1	O=C(O)C1=CCC[C@@H]1C(=O)O	O=C(O)C1=CCC[C@@H]1C(=O)[O-],O=C([O-])C1=CCC[C@@H]1C(=O)O	mol9977	O=C(O)C1=CCCC1C(=O)O
5.92	IUPAC digitized pKa	-1	-2	O=C(O)C1=CCC[C@@H]1C(=O)[O-],O=C([O-])C1=CCC[C@@H]1C(=O)O	O=C([O-])C1=CCC[C@@H]1C(=O)[O-]	mol9977	O=C(O)C1=CCCC1C(=O)O
4.03	AttenGpKa training set	-1	-2	O=C(O)C1=CCC[C@@H]1C(=O)[O-],O=C([O-])C1=CCC[C@@H]1C(=O)O	O=C([O-])C1=CCC[C@@H]1C(=O)[O-]	mol9977	O=C(O)C1=CCCC1C(=O)O