pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.36999988555908	QSARToolbox	0	-1	COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@H]2CC(=O)O	COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@H]2CC(=O)[O-],COc1ccc2c(c1C)CC[C@@](C)(C(=O)[O-])[C@H]2CC(=O)O	mol34635	COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@H]2CC(=O)O