pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.516	IUPAC digitized pKa	0	-1	O=C(O)c1cccc(Br)c1O	O=C([O-])c1cccc(Br)c1O	mol10074	O=C(O)c1cccc(Br)c1O
2.487	IUPAC digitized pKa	0	-1	O=C(O)c1cccc(Br)c1O	O=C([O-])c1cccc(Br)c1O	mol10074	O=C(O)c1cccc(Br)c1O
2.468	IUPAC digitized pKa	0	-1	O=C(O)c1cccc(Br)c1O	O=C([O-])c1cccc(Br)c1O	mol10074	O=C(O)c1cccc(Br)c1O
2.459	IUPAC digitized pKa	0	-1	O=C(O)c1cccc(Br)c1O	O=C([O-])c1cccc(Br)c1O	mol10074	O=C(O)c1cccc(Br)c1O
2.51600003242493	QSARToolbox	0	-1	O=C(O)c1cccc(Br)c1O	O=C([O-])c1cccc(Br)c1O	mol10074	O=C(O)c1cccc(Br)c1O
2.73	AttenGpKa training set	0	-1	O=C(O)c1cccc(Br)c1O	O=C([O-])c1cccc(Br)c1O	mol10074	O=C(O)c1cccc(Br)c1O
10.6999998092651	QSARToolbox	-1	-2	O=C([O-])c1cccc(Br)c1O	O=C([O-])c1cccc(Br)c1[O-]	mol10074	O=C(O)c1cccc(Br)c1O
10.64	AttenGpKa training set	-1	-2	O=C([O-])c1cccc(Br)c1O	O=C([O-])c1cccc(Br)c1[O-]	mol10074	O=C(O)c1cccc(Br)c1O