pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.99	IUPAC digitized pKa	0	-1	O=C(O)[C@H]1CCCCCC[C@H]1C(=O)O	O=C([O-])[C@H]1CCCCCC[C@H]1C(=O)O	mol11256	O=C(O)[C@H]1CCCCCC[C@H]1C(=O)O
3.99000000953674	QSARToolbox	0	-1	O=C(O)[C@H]1CCCCCC[C@H]1C(=O)O	O=C([O-])[C@H]1CCCCCC[C@H]1C(=O)O	mol11256	O=C(O)[C@H]1CCCCCC[C@H]1C(=O)O
7.34	IUPAC digitized pKa	-1	-2	O=C([O-])[C@H]1CCCCCC[C@H]1C(=O)O	O=C([O-])[C@H]1CCCCCC[C@H]1C(=O)[O-]	mol11256	O=C(O)[C@H]1CCCCCC[C@H]1C(=O)O