pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.67	AttenGpKa training set	0	-1	Cc1n[nH]c([N+](=O)[O-])n1	Cc1n[n-]c([N+](=O)[O-])n1	mol25314	Cc1n[nH]c([N+](=O)[O-])n1
-2.89	AttenGpKa training set	1	0	Cc1n[nH]c([N+](=O)[O-])[nH+]1,Cc1nc([N+](=O)[O-])[nH][nH+]1	Cc1n[nH]c([N+](=O)[O-])n1	mol25314	Cc1n[nH]c([N+](=O)[O-])n1