pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.15	AttenGpKa training set	0	-1	CN1C=C([N+](=O)[O-])c2ccccc2[C@H]1O	CN1C=C([N+](=O)[O-])c2ccccc2[C@H]1[O-]	mol31227	CN1C=C([N+](=O)[O-])c2ccccc2C1O