pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Datawarrior	0	-1	CC1=C(C)[C@H]([C@H](C)C(=O)O)CC1=O	CC1=C(C)[C@H]([C@H](C)C(=O)[O-])CC1=O	mol13863	CC1=C(C)C(C(C)C(=O)O)CC1=O
4.4000001	OCHEM	0	-1	CC1=C(C)[C@H]([C@H](C)C(=O)O)CC1=O	CC1=C(C)[C@H]([C@H](C)C(=O)[O-])CC1=O	mol13863	CC1=C(C)C(C(C)C(=O)O)CC1=O
4.40000009536743	QSARToolbox	0	-1	CC1=C(C)[C@H]([C@H](C)C(=O)O)CC1=O	CC1=C(C)[C@H]([C@H](C)C(=O)[O-])CC1=O	mol13863	CC1=C(C)C(C(C)C(=O)O)CC1=O