pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.29	IUPAC digitized pKa	1	0	CCc1cccc2c(N)[nH+]c(N)nc12,CCc1cccc2c(N)nc([NH3+])nc12,CCc1cccc2c([NH3+])nc(N)nc12,CCc1cccc2c(N)nc(N)[nH+]c12	CCc1cccc2c(N)nc(N)nc12	mol7868	CCc1cccc2c(N)nc(N)nc12
8.28999996185303	QSARToolbox	1	0	CCc1cccc2c(N)[nH+]c(N)nc12,CCc1cccc2c(N)nc([NH3+])nc12,CCc1cccc2c([NH3+])nc(N)nc12,CCc1cccc2c(N)nc(N)[nH+]c12	CCc1cccc2c(N)nc(N)nc12	mol7868	CCc1cccc2c(N)nc(N)nc12