pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3	Datawarrior	0	-1	O=C(O)C(I)=Cc1ccccc1	O=C([O-])C(I)=Cc1ccccc1	mol12523	O=C(O)C(I)=Cc1ccccc1
2.24	Datawarrior	0	-1	O=C(O)C(I)=Cc1ccccc1	O=C([O-])C(I)=Cc1ccccc1	mol12523	O=C(O)C(I)=Cc1ccccc1
2.77	OCHEM	0	-1	O=C(O)C(I)=Cc1ccccc1	O=C([O-])C(I)=Cc1ccccc1	mol12523	O=C(O)C(I)=Cc1ccccc1