pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.93	Datawarrior	0	-1	O=C(O)c1ccccc1I	O=C([O-])c1ccccc1I	mol5615	O=C(O)c1ccccc1I
2.86	OCHEM	0	-1	O=C(O)c1ccccc1I	O=C([O-])c1ccccc1I	mol5615	O=C(O)c1ccccc1I
2.9300001	OCHEM	0	-1	O=C(O)c1ccccc1I	O=C([O-])c1ccccc1I	mol5615	O=C(O)c1ccccc1I
2.83999991416931	QSARToolbox	0	-1	O=C(O)c1ccccc1I	O=C([O-])c1ccccc1I	mol5615	O=C(O)c1ccccc1I
2.85999989509583	QSARToolbox	0	-1	O=C(O)c1ccccc1I	O=C([O-])c1ccccc1I	mol5615	O=C(O)c1ccccc1I
2.9300000667572	QSARToolbox	0	-1	O=C(O)c1ccccc1I	O=C([O-])c1ccccc1I	mol5615	O=C(O)c1ccccc1I
2.91	AttenGpKa training set	0	-1	O=C(O)c1ccccc1I	O=C([O-])c1ccccc1I	mol5615	O=C(O)c1ccccc1I