pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.8	AttenGpKa training set	0	-1	COCOc1c(C(=O)O)cccc1[N+](=O)[O-]	COCOc1c(C(=O)[O-])cccc1[N+](=O)[O-]	mol23004	COCOc1c(C(=O)O)cccc1[N+](=O)[O-]