pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	AttenGpKa training set	0	-1	O=C(C[NH+]1CCCCC1)c1ccc([O-])cc1,O=C(CN1CCCCC1)c1ccc(O)cc1	O=C(CN1CCCCC1)c1ccc([O-])cc1	mol30691	O=C(CN1CCCCC1)c1ccc(O)cc1
7.3	AttenGpKa training set	1	0	O=C(C[NH+]1CCCCC1)c1ccc(O)cc1	O=C(C[NH+]1CCCCC1)c1ccc([O-])cc1,O=C(CN1CCCCC1)c1ccc(O)cc1	mol30691	O=C(CN1CCCCC1)c1ccc(O)cc1