pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.13	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1ccccc1Br	O=C([O-])COc1ccccc1Br	mol21767	O=C(O)COc1ccccc1Br
3.12	OCHEM	0	-1	O=C(O)COc1ccccc1Br	O=C([O-])COc1ccccc1Br	mol21767	O=C(O)COc1ccccc1Br
3.13000011444092	QSARToolbox	0	-1	O=C(O)COc1ccccc1Br	O=C([O-])COc1ccccc1Br	mol21767	O=C(O)COc1ccccc1Br
3.11999988555908	QSARToolbox	0	-1	O=C(O)COc1ccccc1Br	O=C([O-])COc1ccccc1Br	mol21767	O=C(O)COc1ccccc1Br
3.155	AttenGpKa training set	0	-1	O=C(O)COc1ccccc1Br	O=C([O-])COc1ccccc1Br	mol21767	O=C(O)COc1ccccc1Br