pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.33999991416931	QSARToolbox	1	0	O=C(O)CC[n+]1ccccc1	O=C([O-])CC[n+]1ccccc1	mol23275	O=C(O)CC[n+]1ccccc1
3.34	AttenGpKa training set	1	0	O=C(O)CC[n+]1ccccc1	O=C([O-])CC[n+]1ccccc1	mol23275	O=C(O)CC[n+]1ccccc1