pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.89	AttenGpKa training set	0	-1	CC(C)OC(=O)c1cc(O)c(O)c(O)c1	CC(C)OC(=O)c1cc(O)c([O-])c(O)c1,CC(C)OC(=O)c1cc([O-])c(O)c(O)c1	mol30662	CC(C)OC(=O)c1cc(O)c(O)c(O)c1
10.9	AttenGpKa training set	-1	-2	CC(C)OC(=O)c1cc(O)c([O-])c(O)c1,CC(C)OC(=O)c1cc([O-])c(O)c(O)c1	CC(C)OC(=O)c1cc([O-])c([O-])c(O)c1,CC(C)OC(=O)c1cc([O-])c(O)c([O-])c1	mol30662	CC(C)OC(=O)c1cc(O)c(O)c(O)c1