pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82	Datawarrior	0	-1	O=C(O)[C@]1(Cl)[C@@H]2CCC[C@@H]21	O=C([O-])[C@]1(Cl)[C@@H]2CCC[C@@H]21	mol13149	O=C(O)[C@]1(Cl)[C@@H]2CCC[C@@H]21
2.8199999332428	QSARToolbox	0	-1	O=C(O)[C@]1(Cl)[C@@H]2CCC[C@@H]21	O=C([O-])[C@]1(Cl)[C@@H]2CCC[C@@H]21	mol13149	O=C(O)[C@]1(Cl)[C@@H]2CCC[C@@H]21