pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.38	IUPAC digitized pKa	1	0	Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	Cc1nccn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol6684	Cc1nccn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
5.34	AttenGpKa training set	1	0	Cc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	Cc1nccn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol6684	Cc1nccn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]