pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55	AttenGpKa training set	0	-1	CCOc1ccc(NC(=O)CCC(=O)O)cc1	CCOc1ccc(NC(=O)CCC(=O)[O-])cc1	mol29455	CCOc1ccc(NC(=O)CCC(=O)O)cc1