pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.08	IUPAC digitized pKa	1	0	Cc1c[nH+]n(-c2ccc([N+](=O)[O-])cc2)c1C	Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C	mol6888	Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C
1.06	AttenGpKa training set	1	0	Cc1c[nH+]n(-c2ccc([N+](=O)[O-])cc2)c1C	Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C	mol6888	Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C