pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.22	Datawarrior	0	-1	O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](F)(C3)C1)C2	O=C([O-])[C@@]12C[C@@H]3C[C@@H](C[C@@](F)(C3)C1)C2	mol15109	O=C(O)C12CC3CC(CC(F)(C3)C1)C2
4.2199998	OCHEM	0	-1	O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](F)(C3)C1)C2	O=C([O-])[C@@]12C[C@@H]3C[C@@H](C[C@@](F)(C3)C1)C2	mol15109	O=C(O)C12CC3CC(CC(F)(C3)C1)C2