pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.12	Datawarrior	1	0	CCCCCn1cc[nH+]c1	CCCCCn1ccnc1	mol12964	CCCCCn1ccnc1
7.1199999	OCHEM	1	0	CCCCCn1cc[nH+]c1	CCCCCn1ccnc1	mol12964	CCCCCn1ccnc1
7.11999988555908	QSARToolbox	1	0	CCCCCn1cc[nH+]c1	CCCCCn1ccnc1	mol12964	CCCCCn1ccnc1