pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.87	IUPAC digitized pKa	0	-1	O=C(O)[C@H]1CCCCC[C@H]1C(=O)O	O=C(O)[C@H]1CCCCC[C@H]1C(=O)[O-]	mol10915	O=C(O)[C@H]1CCCCC[C@H]1C(=O)O
3.86999988555908	QSARToolbox	0	-1	O=C(O)[C@H]1CCCCC[C@H]1C(=O)O	O=C(O)[C@H]1CCCCC[C@H]1C(=O)[O-]	mol10915	O=C(O)[C@H]1CCCCC[C@H]1C(=O)O
7.6	IUPAC digitized pKa	-1	-2	O=C(O)[C@H]1CCCCC[C@H]1C(=O)[O-]	O=C([O-])[C@H]1CCCCC[C@H]1C(=O)[O-]	mol10915	O=C(O)[C@H]1CCCCC[C@H]1C(=O)O