pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97000002861023	QSARToolbox	-1	-2	C[C@@]1(C(=O)[O-])C[C@]1(C)C(=O)O	C[C@@]1(C(=O)[O-])C[C@]1(C)C(=O)[O-]	mol22550	C[C@@]1(C(=O)O)C[C@]1(C)C(=O)O
4.06	AttenGpKa training set	-1	-2	C[C@@]1(C(=O)[O-])C[C@]1(C)C(=O)O	C[C@@]1(C(=O)[O-])C[C@]1(C)C(=O)[O-]	mol22550	C[C@@]1(C(=O)O)C[C@]1(C)C(=O)O
6.56	AttenGpKa training set	-1	-2	C[C@@]1(C(=O)[O-])C[C@]1(C)C(=O)O	C[C@@]1(C(=O)[O-])C[C@]1(C)C(=O)[O-]	mol22550	C[C@@]1(C(=O)O)C[C@]1(C)C(=O)O