pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.8100004196167	QSARToolbox	1	0	CCC[NH+]1[C@H](C)CCC[C@@H]1C	CCCN1[C@H](C)CCC[C@@H]1C	mol24551	CCCN1[C@H](C)CCC[C@@H]1C
11.01	AttenGpKa training set	1	0	CCC[NH+]1[C@H](C)CCC[C@@H]1C	CCCN1[C@H](C)CCC[C@@H]1C	mol24551	CCCN1[C@H](C)CCC[C@@H]1C