pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	AttenGpKa training set	0	-1	SCCN1CCOCC1	[S-]CCN1CCOCC1	mol24536	SCCN1CCOCC1
6.65000009536743	QSARToolbox	1	0	SCC[NH+]1CCOCC1	SCCN1CCOCC1	mol24536	SCCN1CCOCC1
6.65	AttenGpKa training set	1	0	SCC[NH+]1CCOCC1	SCCN1CCOCC1	mol24536	SCCN1CCOCC1