pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3600001335144	QSARToolbox	0	-1	C[C@H](C(=O)O)[C@@H](C)C(=O)O	C[C@H](C(=O)[O-])[C@@H](C)C(=O)O	mol22538	C[C@H](C(=O)O)[C@@H](C)C(=O)O
5.94	AttenGpKa training set	0	-1	C[C@H](C(=O)O)[C@@H](C)C(=O)O	C[C@H](C(=O)[O-])[C@@H](C)C(=O)O	mol22538	C[C@H](C(=O)O)[C@@H](C)C(=O)O
3.76999998092651	QSARToolbox	-1	-2	C[C@H](C(=O)[O-])[C@@H](C)C(=O)O	C[C@H](C(=O)[O-])[C@@H](C)C(=O)[O-]	mol22538	C[C@H](C(=O)O)[C@@H](C)C(=O)O
3.77	AttenGpKa training set	-1	-2	C[C@H](C(=O)[O-])[C@@H](C)C(=O)O	C[C@H](C(=O)[O-])[C@@H](C)C(=O)[O-]	mol22538	C[C@H](C(=O)O)[C@@H](C)C(=O)O