pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	AttenGpKa training set	0	-1	CC(=O)CC[C@]1(C)OC(=O)c2c(O)cccc21	CC(=O)CC[C@]1(C)OC(=O)c2c([O-])cccc21	mol30741	CC(=O)CCC1(C)OC(=O)c2c(O)cccc21