pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.41	IUPAC digitized pKa	1	0	C[NH2+]c1ncccc1[N+](=O)[O-],CNc1[nH+]cccc1[N+](=O)[O-]	CNc1ncccc1[N+](=O)[O-]	mol6520	CNc1ncccc1[N+](=O)[O-]
2.46	AttenGpKa training set	1	0	C[NH2+]c1ncccc1[N+](=O)[O-],CNc1[nH+]cccc1[N+](=O)[O-]	CNc1ncccc1[N+](=O)[O-]	mol6520	CNc1ncccc1[N+](=O)[O-]