pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.22	AttenGpKa training set	1	0	C[NH+](C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	CN(C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	mol23912	CN(C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]