pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.86	Datawarrior	0	-1	O=C(O)CC[C@H]1CC[C@H](O)CC1	O=C([O-])CC[C@H]1CC[C@H](O)CC1	mol12558	O=C(O)CC[C@H]1CC[C@H](O)CC1
4.8600001335144	QSARToolbox	0	-1	O=C(O)CC[C@H]1CC[C@H](O)CC1	O=C([O-])CC[C@H]1CC[C@H](O)CC1	mol12558	O=C(O)CC[C@H]1CC[C@H](O)CC1