pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.66	IUPAC digitized pKa	1	0	CC[NH+]1CCCC[C@H]1C	CCN1CCCC[C@H]1C	mol3579	CCN1CCCCC1C
10.68	Datawarrior	1	0	CC[NH+]1CCCC[C@H]1C	CCN1CCCC[C@H]1C	mol3579	CCN1CCCCC1C
10.85333333	AttenGpKa training set	1	0	CC[NH+]1CCCC[C@H]1C	CCN1CCCC[C@H]1C	mol3579	CCN1CCCCC1C