pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4899998	OCHEM	0	-1	COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)CC(=O)C[C@H]1C)C2=O	COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)[CH-]C(=O)C[C@H]1C)C2=O	mol32532	COc1cc(OC)c2c(c1Cl)OC1(C(=O)CC(=O)CC1C)C2=O