pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.97	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1c(Cl)ccc(Cl)c1C(=O)O	COc1c(Cl)ccc(Cl)c1C(=O)[O-]	mol2313	COc1c(Cl)ccc(Cl)c1C(=O)O
1.93	AttenGpKa training set	0	-1	COc1c(Cl)ccc(Cl)c1C(=O)O	COc1c(Cl)ccc(Cl)c1C(=O)[O-]	mol2313	COc1c(Cl)ccc(Cl)c1C(=O)O