pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.98	AttenGpKa training set	0	-1	Nc1cc[n+]([O-])cc1C(=O)O,Nc1cc[n+](O)cc1C(=O)[O-]	Nc1cc[n+]([O-])cc1C(=O)[O-]	mol9694	Nc1cc[n+]([O-])cc1C(=O)O