pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.07000017166138	QSARToolbox	0	-1	O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O	O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O	mol22583	O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O
4.07	AttenGpKa training set	0	-1	O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O	O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O	mol22583	O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O
5.66	AttenGpKa training set	-1	-2	O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O	O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	mol22583	O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O