pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.68	AttenGpKa training set	0	-1	Nc1cc(C(=O)O)cc(C(=O)O)c1,[NH3+]c1cc(C(=O)[O-])cc(C(=O)O)c1	Nc1cc(C(=O)[O-])cc(C(=O)O)c1	mol22761	Nc1cc(C(=O)O)cc(C(=O)O)c1