pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.38	AttenGpKa training set	0	-1	O=C(CC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	O=C([CH-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	mol27054	O=C(CC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1