pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.72	Datawarrior	0	-1	CC(C)SCC(=O)O	CC(C)SCC(=O)[O-]	mol12447	CC(C)SCC(=O)O
3.72000002861023	QSARToolbox	0	-1	CC(C)SCC(=O)O	CC(C)SCC(=O)[O-]	mol12447	CC(C)SCC(=O)O