pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
19.2	IUPAC digitized pKa	0	-1	CC(C)(C)O	CC(C)(C)[O-]	mol5636	CC(C)(C)O
17.03	Datawarrior	0	-1	CC(C)(C)O	CC(C)(C)[O-]	mol5636	CC(C)(C)O
17.030001	OCHEM	0	-1	CC(C)(C)O	CC(C)(C)[O-]	mol5636	CC(C)(C)O
19.2000007629395	QSARToolbox	0	-1	CC(C)(C)O	CC(C)(C)[O-]	mol5636	CC(C)(C)O
17.0	QSARToolbox	0	-1	CC(C)(C)O	CC(C)(C)[O-]	mol5636	CC(C)(C)O
16.3199996948242	QSARToolbox	0	-1	CC(C)(C)O	CC(C)(C)[O-]	mol5636	CC(C)(C)O
17.0300006866455	QSARToolbox	0	-1	CC(C)(C)O	CC(C)(C)[O-]	mol5636	CC(C)(C)O
15.6599998474121	QSARToolbox	0	-1	CC(C)(C)O	CC(C)(C)[O-]	mol5636	CC(C)(C)O
17.4925	AttenGpKa training set	0	-1	CC(C)(C)O	CC(C)(C)[O-]	mol5636	CC(C)(C)O