pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.53	AttenGpKa training set	0	-1	O=C(O)/C=C\c1ccc([N+](=O)[O-])cc1	O=C([O-])/C=C\c1ccc([N+](=O)[O-])cc1	mol23393	O=C(O)/C=C\c1ccc([N+](=O)[O-])cc1