pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.78	Datawarrior	1	0	C1CCC[NH2+]CCC1	C1CCCNCCC1	mol1747	C1CCCNCCC1
11.1	OCHEM	1	0	C1CCC[NH2+]CCC1	C1CCCNCCC1	mol1747	C1CCCNCCC1
10.7799997329712	QSARToolbox	1	0	C1CCC[NH2+]CCC1	C1CCCNCCC1	mol1747	C1CCCNCCC1
11.2	AttenGpKa training set	1	0	C1CCC[NH2+]CCC1	C1CCCNCCC1	mol1747	C1CCCNCCC1