pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.56	Datawarrior	0	-1	CCCS	CCC[S-]	mol15822	CCCS
10.86	OCHEM	0	-1	CCCS	CCC[S-]	mol15822	CCCS
10.3000001907349	QSARToolbox	0	-1	CCCS	CCC[S-]	mol15822	CCCS
10.6499996185303	QSARToolbox	0	-1	CCCS	CCC[S-]	mol15822	CCCS
10.8199996948242	QSARToolbox	0	-1	CCCS	CCC[S-]	mol15822	CCCS
10.0799999237061	QSARToolbox	0	-1	CCCS	CCC[S-]	mol15822	CCCS
10.725	AttenGpKa training set	0	-1	CCCS	CCC[S-]	mol15822	CCCS