pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.21	AttenGpKa training set	0	-1	O=C(O)c1cc(Br)cc(C(=O)O)c1	O=C([O-])c1cc(Br)cc(C(=O)O)c1	mol23067	O=C(O)c1cc(Br)cc(C(=O)O)c1
4.36	AttenGpKa training set	-1	-2	O=C([O-])c1cc(Br)cc(C(=O)O)c1	O=C([O-])c1cc(Br)cc(C(=O)[O-])c1	mol23067	O=C(O)c1cc(Br)cc(C(=O)O)c1