pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.88000011444092	QSARToolbox	0	-1	O=C(O)/C=C(\CC(=O)O)C(=O)O	O=C([O-])/C=C(\CC(=O)O)C(=O)O,O=C(O)/C=C(\CC(=O)[O-])C(=O)O,O=C(O)/C=C(\CC(=O)O)C(=O)[O-]	mol22565	O=C(O)/C=C(\CC(=O)O)C(=O)O
2.91	AttenGpKa training set	0	-1	O=C(O)/C=C(\CC(=O)O)C(=O)O	O=C([O-])/C=C(\CC(=O)O)C(=O)O,O=C(O)/C=C(\CC(=O)[O-])C(=O)O,O=C(O)/C=C(\CC(=O)O)C(=O)[O-]	mol22565	O=C(O)/C=C(\CC(=O)O)C(=O)O
4.33	AttenGpKa training set	-1	-2	O=C([O-])/C=C(\CC(=O)O)C(=O)O,O=C(O)/C=C(\CC(=O)[O-])C(=O)O,O=C(O)/C=C(\CC(=O)O)C(=O)[O-]	O=C([O-])/C=C(\CC(=O)O)C(=O)[O-],O=C(O)/C=C(\CC(=O)[O-])C(=O)[O-],O=C([O-])/C=C(\CC(=O)[O-])C(=O)O	mol22565	O=C(O)/C=C(\CC(=O)O)C(=O)O
6.16	AttenGpKa training set	-2	-3	O=C([O-])/C=C(\CC(=O)O)C(=O)[O-],O=C(O)/C=C(\CC(=O)[O-])C(=O)[O-],O=C([O-])/C=C(\CC(=O)[O-])C(=O)O	O=C([O-])/C=C(\CC(=O)[O-])C(=O)[O-]	mol22565	O=C(O)/C=C(\CC(=O)O)C(=O)O