pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.94000005722046	QSARToolbox	1	0	O=C(O)CCC[n+]1ccccc1	O=C([O-])CCC[n+]1ccccc1	mol23307	O=C(O)CCC[n+]1ccccc1
3.94	AttenGpKa training set	1	0	O=C(O)CCC[n+]1ccccc1	O=C([O-])CCC[n+]1ccccc1	mol23307	O=C(O)CCC[n+]1ccccc1