pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.92	AttenGpKa training set	0	-1	O=C([O-])CC[NH+]1CCCCC1	O=C([O-])CCN1CCCCC1	mol29325	O=C(O)CCN1CCCCC1
3.58	AttenGpKa training set	1	0	O=C(O)CC[NH+]1CCCCC1	O=C([O-])CC[NH+]1CCCCC1	mol29325	O=C(O)CCN1CCCCC1