pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	AttenGpKa training set	0	-1	CC(C)[C@@H](O)CC1=C(O)C(=O)c2ccccc2C1=O	CC(C)[C@@H](O)CC1=C([O-])C(=O)c2ccccc2C1=O	mol31269	CC(C)C(O)CC1=C(O)C(=O)c2ccccc2C1=O