pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	AttenGpKa training set	0	-1	COc1cc(/C=C/C(=O)O)cc(OC)c1O	COc1cc(/C=C/C(=O)[O-])cc(OC)c1O	mol23512	COc1cc(/C=C/C(=O)O)cc(OC)c1O
9.21	AttenGpKa training set	-1	-2	COc1cc(/C=C/C(=O)[O-])cc(OC)c1O	COc1cc(/C=C/C(=O)[O-])cc(OC)c1[O-]	mol23512	COc1cc(/C=C/C(=O)O)cc(OC)c1O