pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.12	AttenGpKa training set	0	-1	NC(=O)c1cc(C(=O)O)ccc1C(=O)O	NC(=O)c1cc(C(=O)O)ccc1C(=O)[O-],NC(=O)c1cc(C(=O)[O-])ccc1C(=O)O	mol22912	NC(=O)c1cc(C(=O)O)ccc1C(=O)O