pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.54	AttenGpKa training set	0	-1	COC(=O)c1ccc(C(=O)O)c(C(=O)O)c1	COC(=O)c1ccc(C(=O)O)c(C(=O)[O-])c1,COC(=O)c1ccc(C(=O)[O-])c(C(=O)O)c1	mol22986	COC(=O)c1ccc(C(=O)O)c(C(=O)O)c1
4.96	AttenGpKa training set	-1	-2	COC(=O)c1ccc(C(=O)O)c(C(=O)[O-])c1,COC(=O)c1ccc(C(=O)[O-])c(C(=O)O)c1	COC(=O)c1ccc(C(=O)[O-])c(C(=O)[O-])c1	mol22986	COC(=O)c1ccc(C(=O)O)c(C(=O)O)c1