pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.95000004768372	QSARToolbox	0	-1	C[C@H](C(=O)O)c1nsc2ccccc12	C[C@H](C(=O)[O-])c1nsc2ccccc12	mol34359	CC(C(=O)O)c1nsc2ccccc12