pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42999982833862	QSARToolbox	0	-1	O=C(O)C[C@H]1CCC[C@@H]1CC(=O)O	O=C([O-])C[C@H]1CCC[C@@H]1CC(=O)O	mol36306	O=C(O)C[C@H]1CCC[C@@H]1CC(=O)O