pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.21	AttenGpKa training set	1	0	O=[N+]([O-])c1ccc([NH+]2CCOCC2)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	mol24043	O=[N+]([O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1