pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.62	IUPAC digitized pKa	1	0	Nc1nc(N)c2cccnc2[nH+]1,Nc1nc(N)c2ccc[nH+]c2n1,Nc1nc([NH3+])c2cccnc2n1,Nc1nc([NH3+])nc2ncccc12,Nc1nc2ncccc2c(N)[nH+]1	Nc1nc(N)c2cccnc2n1	mol8017	Nc1nc(N)c2cccnc2n1
6.61999988555908	QSARToolbox	1	0	Nc1nc(N)c2cccnc2[nH+]1,Nc1nc(N)c2ccc[nH+]c2n1,Nc1nc([NH3+])c2cccnc2n1,Nc1nc([NH3+])nc2ncccc12,Nc1nc2ncccc2c(N)[nH+]1	Nc1nc(N)c2cccnc2n1	mol8017	Nc1nc(N)c2cccnc2n1