pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.84999990463257	QSARToolbox	0	-1	C[C@@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@H]1C(=O)O	C[C@@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@H]1C(=O)[O-],C[C@@]1(C(=O)O)CCC[C@](C)(C(=O)[O-])[C@H]1C(=O)O	mol35115	C[C@@]1(C(=O)O)CCC[C@](C)(C(=O)O)[C@H]1C(=O)O