pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.89	IUPAC digitized pKa	0	-1	CCCc1c(C)nc(O)nc1C	CCCc1c(C)nc([O-])nc1C	mol1616	CCCc1c(C)nc(O)nc1C
4.17	IUPAC digitized pKa	1	0	CCCc1c(C)nc(O)[nH+]c1C	CCCc1c(C)nc(O)nc1C	mol1616	CCCc1c(C)nc(O)nc1C
4.17000007629395	QSARToolbox	1	0	CCCc1c(C)nc(O)[nH+]c1C	CCCc1c(C)nc(O)nc1C	mol1616	CCCc1c(C)nc(O)nc1C
1.88999998569489	QSARToolbox	1	0	CCCc1c(C)nc(O)[nH+]c1C	CCCc1c(C)nc(O)nc1C	mol1616	CCCc1c(C)nc(O)nc1C