pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.14	Datawarrior	1	0	CCCCn1cc[nH+]c1	CCCCn1ccnc1	mol13594	CCCCn1ccnc1
7.1399999	OCHEM	1	0	CCCCn1cc[nH+]c1	CCCCn1ccnc1	mol13594	CCCCn1ccnc1
7.17999982833862	QSARToolbox	1	0	CCCCn1cc[nH+]c1	CCCCn1ccnc1	mol13594	CCCCn1ccnc1
7.09999990463257	QSARToolbox	1	0	CCCCn1cc[nH+]c1	CCCCn1ccnc1	mol13594	CCCCn1ccnc1
7.21	AttenGpKa training set	1	0	CCCCn1cc[nH+]c1	CCCCn1ccnc1	mol13594	CCCCn1ccnc1