pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.27	Datawarrior	0	-1	CC(C)c1cccc(C(=O)O)c1	CC(C)c1cccc(C(=O)[O-])c1	mol12518	CC(C)c1cccc(C(=O)O)c1
4.26999998092651	QSARToolbox	0	-1	CC(C)c1cccc(C(=O)O)c1	CC(C)c1cccc(C(=O)[O-])c1	mol12518	CC(C)c1cccc(C(=O)O)c1
4.29	AttenGpKa training set	0	-1	CC(C)c1cccc(C(=O)O)c1	CC(C)c1cccc(C(=O)[O-])c1	mol12518	CC(C)c1cccc(C(=O)O)c1