pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.02	IUPAC digitized pKa	0	-1	O=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O	O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O	mol10907	O=C(O)C1C2CCC(C2)C1C(=O)O
4.37	OCHEM	0	-1	O=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O	O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O	mol10907	O=C(O)C1C2CCC(C2)C1C(=O)O
5.75	IUPAC digitized pKa	-1	-2	O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O	O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	mol10907	O=C(O)C1C2CCC(C2)C1C(=O)O
5.36	OCHEM	-1	-2	O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O	O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	mol10907	O=C(O)C1C2CCC(C2)C1C(=O)O
4.69999980926514	QSARToolbox	-1	-2	O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O	O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	mol10907	O=C(O)C1C2CCC(C2)C1C(=O)O
5.65999984741211	QSARToolbox	-1	-2	O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O	O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	mol10907	O=C(O)C1C2CCC(C2)C1C(=O)O