pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.19	IUPAC digitized pKa	0	-1	CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	CC(C)(C)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1	mol1733	CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
12.1999998092651	QSARToolbox	0	-1	CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	CC(C)(C)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1	mol1733	CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
12.1899995803833	QSARToolbox	0	-1	CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	CC(C)(C)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1	mol1733	CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1