pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.03	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	mol13150	O=C(O)[C@@]1(Cl)[C@@H]2CCC[C@@H]21
3.02999997138977	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	mol13150	O=C(O)[C@@]1(Cl)[C@@H]2CCC[C@@H]21