pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.39	AttenGpKa training set	0	-1	C/C=[N+](\[O-])O	CC=[N+]([O-])[O-]	mol27816	C/C=[N+](\[O-])O