pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.02	IUPAC digitized pKa	0	-1	CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C(O)C1=O	CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C([O-])C1=O	mol11933	CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C(O)C1=O
3.01999998092651	QSARToolbox	0	-1	CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C(O)C1=O	CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C([O-])C1=O	mol11933	CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C(O)C1=O
5.95	IUPAC digitized pKa	-1	-2	CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C([O-])C1=O	CC1=CC(=O)C(C2=C([O-])C(=O)C(C)=CC2=O)=C([O-])C1=O	mol11933	CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C(O)C1=O
6.3	AttenGpKa training set	-1	-2	CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C([O-])C1=O	CC1=CC(=O)C(C2=C([O-])C(=O)C(C)=CC2=O)=C([O-])C1=O	mol11933	CC1=CC(=O)C(C2=C(O)C(=O)C(C)=CC2=O)=C(O)C1=O