pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.84	IUPAC digitized pKa	1	0	CCc1c(N)nc(N)nc1[NH3+],CCc1c(N)nc([NH3+])nc1N,CCc1c(N)nc(N)[nH+]c1N	CCc1c(N)nc(N)nc1N	mol7529	CCc1c(N)nc(N)nc1N
6.84000015258789	QSARToolbox	1	0	CCc1c(N)nc(N)nc1[NH3+],CCc1c(N)nc([NH3+])nc1N,CCc1c(N)nc(N)[nH+]c1N	CCc1c(N)nc(N)nc1N	mol7529	CCc1c(N)nc(N)nc1N
1.54999995231628	QSARToolbox	2	1	CCc1c([NH3+])nc(N)nc1[NH3+],CCc1c(N)nc([NH3+])nc1[NH3+],CCc1c(N)nc([NH3+])[nH+]c1N,CCc1c(N)[nH+]c(N)[nH+]c1N	CCc1c(N)nc(N)nc1[NH3+],CCc1c(N)nc([NH3+])nc1N,CCc1c(N)nc(N)[nH+]c1N	mol7529	CCc1c(N)nc(N)nc1N