pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.01	AttenGpKa training set	1	0	C[n+]1ccc([O-])nc1[NH3+],C[n+]1ccc(O)nc1N	C[n+]1ccc([O-])nc1N	mol29495	C[n+]1ccc(O)nc1N