pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.55	AttenGpKa training set	0	-1	O=C(O)CC1(CC(=O)O)CCCCCC1	O=C([O-])CC1(CC(=O)O)CCCCCC1	mol22616	O=C(O)CC1(CC(=O)O)CCCCCC1
6.99	AttenGpKa training set	-1	-2	O=C([O-])CC1(CC(=O)O)CCCCCC1	O=C([O-])CC1(CC(=O)[O-])CCCCCC1	mol22616	O=C(O)CC1(CC(=O)O)CCCCCC1