pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	AttenGpKa training set	0	-1	CCC[C@H](CC(=O)O)c1ccc(Cl)cc1	CCC[C@H](CC(=O)[O-])c1ccc(Cl)cc1	mol23533	CCCC(CC(=O)O)c1ccc(Cl)cc1