pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.98	AttenGpKa training set	0	-1	COC(=O)/C=[N+](\[O-])O	COC(=O)C=[N+]([O-])[O-]	mol27843	COC(=O)/C=[N+](\[O-])O