pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.72	Baltruschat ChEMBL	0	-1	Oc1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc2ccccc12	[O-]c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc2ccccc12	mol18525	Oc1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc2ccccc12