pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	AttenGpKa training set	0	-1	O=C(O)c1cc(C(=O)O)[nH]n1	O=C([O-])c1cc(C(=O)O)[nH]n1,O=C(O)c1cc(C(=O)[O-])[nH]n1	mol22699	O=C(O)c1cc(C(=O)O)[nH]n1
3.89	AttenGpKa training set	-1	-2	O=C([O-])c1cc(C(=O)O)[nH]n1,O=C(O)c1cc(C(=O)[O-])[nH]n1	O=C([O-])c1cc(C(=O)[O-])[nH]n1	mol22699	O=C(O)c1cc(C(=O)O)[nH]n1