pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.17000007629395	QSARToolbox	0	-1	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	mol34758	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O