pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	IUPAC digitized pKa	1	0	Nc1cnc(CCc2ccccc2)[nH+]c1N,Nc1nc(CCc2ccccc2)ncc1[NH3+],Nc1c[nH+]c(CCc2ccccc2)nc1N,Nc1cnc(CCc2ccccc2)nc1[NH3+]	Nc1cnc(CCc2ccccc2)nc1N	mol7311	Nc1cnc(CCc2ccccc2)nc1N