pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.2	AttenGpKa training set	1	0	O=[N+]([O-])c1ccc2[nH]c[n+](O)c2c1	O=[N+]([O-])c1ccc2[nH]c[n+]([O-])c2c1	mol26465	O=[N+]([O-])c1ccc2[nH]c[n+](O)c2c1