pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.78999996185303	QSARToolbox	0	-1	O=C(O)Cc1ccc(C(=O)O)cc1	O=C([O-])Cc1ccc(C(=O)O)cc1,O=C(O)Cc1ccc(C(=O)[O-])cc1	mol22743	O=C(O)Cc1ccc(C(=O)O)cc1
3.79	AttenGpKa training set	0	-1	O=C(O)Cc1ccc(C(=O)O)cc1	O=C([O-])Cc1ccc(C(=O)O)cc1,O=C(O)Cc1ccc(C(=O)[O-])cc1	mol22743	O=C(O)Cc1ccc(C(=O)O)cc1
4.78	AttenGpKa training set	-1	-2	O=C([O-])Cc1ccc(C(=O)O)cc1,O=C(O)Cc1ccc(C(=O)[O-])cc1	O=C([O-])Cc1ccc(C(=O)[O-])cc1	mol22743	O=C(O)Cc1ccc(C(=O)O)cc1