pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.0	AttenGpKa training set	0	-1	CN1c2ccccc2C=C([N+](=O)[O-])[C@@H]1O	CN1c2ccccc2C=C([N+](=O)[O-])[C@@H]1[O-]	mol31226	CN1c2ccccc2C=C([N+](=O)[O-])C1O