pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.29999995231628	QSARToolbox	0	-1	C[C@]1(C(=O)O)C[C@@](C)(C(=O)O)C[C@@](C)(C(=O)O)C1	C[C@@]1(C(=O)[O-])C[C@](C)(C(=O)O)C[C@](C)(C(=O)O)C1	mol35117	C[C@]1(C(=O)O)C[C@@](C)(C(=O)O)C[C@@](C)(C(=O)O)C1
7.30000019073486	QSARToolbox	-2	-3	C[C@]1(C(=O)[O-])C[C@@](C)(C(=O)[O-])C[C@@](C)(C(=O)O)C1	C[C@]1(C(=O)[O-])C[C@@](C)(C(=O)[O-])C[C@@](C)(C(=O)[O-])C1	mol35117	C[C@]1(C(=O)O)C[C@@](C)(C(=O)O)C[C@@](C)(C(=O)O)C1
5.84999990463257	QSARToolbox	-2	-3	C[C@]1(C(=O)[O-])C[C@@](C)(C(=O)[O-])C[C@@](C)(C(=O)O)C1	C[C@]1(C(=O)[O-])C[C@@](C)(C(=O)[O-])C[C@@](C)(C(=O)[O-])C1	mol35117	C[C@]1(C(=O)O)C[C@@](C)(C(=O)O)C[C@@](C)(C(=O)O)C1