pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.14	AttenGpKa training set	0	-1	Cc1nc([N+](=O)[O-])c([N+](=O)[O-])[nH]1	Cc1nc([N+](=O)[O-])c([N+](=O)[O-])[n-]1	mol25425	Cc1nc([N+](=O)[O-])c([N+](=O)[O-])[nH]1
-3.45	AttenGpKa training set	1	0	Cc1[nH]c([N+](=O)[O-])c([N+](=O)[O-])[nH+]1	Cc1nc([N+](=O)[O-])c([N+](=O)[O-])[nH]1	mol25425	Cc1nc([N+](=O)[O-])c([N+](=O)[O-])[nH]1