pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57999992370606	QSARToolbox	0	-1	CCCC(=NOCC)C1=C(O)C[C@H](C[C@H](C)SCC)CC1=O	CCCC(=NOCC)C1=C([O-])C[C@H](C[C@H](C)SCC)CC1=O	mol33753	CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O