pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.78999996185303	QSARToolbox	-1	-2	O=C([O-])[C@@H]1[C@H]2CC[C@H](CC2)[C@@H]1C(=O)O	O=C([O-])[C@@H]1[C@H]2CC[C@H](CC2)[C@@H]1C(=O)[O-]	mol22597	O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)O
6.95	AttenGpKa training set	-1	-2	O=C([O-])[C@@H]1[C@H]2CC[C@H](CC2)[C@@H]1C(=O)O	O=C([O-])[C@@H]1[C@H]2CC[C@H](CC2)[C@@H]1C(=O)[O-]	mol22597	O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)O
4.79	AttenGpKa training set	-1	-2	O=C([O-])[C@@H]1[C@H]2CC[C@H](CC2)[C@@H]1C(=O)O	O=C([O-])[C@@H]1[C@H]2CC[C@H](CC2)[C@@H]1C(=O)[O-]	mol22597	O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)O