pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.42	IUPAC digitized pKa	1	0	CCCc1c(C)nc(N)[nH+]c1C,CCCc1c(C)nc([NH3+])nc1C	CCCc1c(C)nc(N)nc1C	mol1611	CCCc1c(C)nc(N)nc1C
5.12	OCHEM	1	0	CCCc1c(C)nc(N)[nH+]c1C,CCCc1c(C)nc([NH3+])nc1C	CCCc1c(C)nc(N)nc1C	mol1611	CCCc1c(C)nc(N)nc1C
5.42000007629395	QSARToolbox	1	0	CCCc1c(C)nc(N)[nH+]c1C,CCCc1c(C)nc([NH3+])nc1C	CCCc1c(C)nc(N)nc1C	mol1611	CCCc1c(C)nc(N)nc1C