pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96	AttenGpKa training set	-1	-2	O=C([O-])Cc1ccc(C(=O)O)c(O)c1,O=C(O)Cc1ccc(C(=O)[O-])c(O)c1	O=C([O-])Cc1ccc(C(=O)[O-])c(O)c1	mol22740	O=C(O)Cc1ccc(C(=O)O)c(O)c1