pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.21	AttenGpKa training set	0	-1	O=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1ccccc13)OCO2	O=C([O-])c1cc2c(c3c1c([N+](=O)[O-])cc1ccccc13)OCO2	mol23232	O=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1ccccc13)OCO2