pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.23	IUPAC digitized pKa	0	-1	O=C(O)/C=C/c1ccccc1Br	O=C([O-])/C=C/c1ccccc1Br	mol1888	O=C(O)/C=C/c1ccccc1Br
4.41	OCHEM	0	-1	O=C(O)/C=C/c1ccccc1Br	O=C([O-])/C=C/c1ccccc1Br	mol1888	O=C(O)/C=C/c1ccccc1Br
4.33	OCHEM	0	-1	O=C(O)/C=C/c1ccccc1Br	O=C([O-])/C=C/c1ccccc1Br	mol1888	O=C(O)/C=C/c1ccccc1Br
4.32	AttenGpKa training set	0	-1	O=C(O)/C=C/c1ccccc1Br	O=C([O-])/C=C/c1ccccc1Br	mol1888	O=C(O)/C=C/c1ccccc1Br