pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.15999984741211	QSARToolbox	-1	-2	O=C([O-])[C@H]1CCCCC[C@@H]1C(=O)O	O=C([O-])[C@H]1CCCCC[C@@H]1C(=O)[O-]	mol22587	O=C(O)[C@H]1CCCCC[C@@H]1C(=O)O
4.30000019073486	QSARToolbox	-1	-2	O=C([O-])[C@H]1CCCCC[C@@H]1C(=O)O	O=C([O-])[C@H]1CCCCC[C@@H]1C(=O)[O-]	mol22587	O=C(O)[C@H]1CCCCC[C@@H]1C(=O)O
8.18	AttenGpKa training set	-1	-2	O=C([O-])[C@H]1CCCCC[C@@H]1C(=O)O	O=C([O-])[C@H]1CCCCC[C@@H]1C(=O)[O-]	mol22587	O=C(O)[C@H]1CCCCC[C@@H]1C(=O)O
4.3	AttenGpKa training set	-1	-2	O=C([O-])[C@H]1CCCCC[C@@H]1C(=O)O	O=C([O-])[C@H]1CCCCC[C@@H]1C(=O)[O-]	mol22587	O=C(O)[C@H]1CCCCC[C@@H]1C(=O)O