pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.55	IUPAC digitized pKa	1	0	C[NH2+]c1ccc([N+](=O)[O-])cc1	CNc1ccc([N+](=O)[O-])cc1	mol1701	CNc1ccc([N+](=O)[O-])cc1
0.605	AttenGpKa training set	1	0	C[NH2+]c1ccc([N+](=O)[O-])cc1	CNc1ccc([N+](=O)[O-])cc1	mol1701	CNc1ccc([N+](=O)[O-])cc1