pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.27	IUPAC digitized pKa	1	0	Nc1nc(N)c(Cc2ccccc2)c[nH+]1,Nc1nc([NH3+])ncc1Cc1ccccc1,Nc1ncc(Cc2ccccc2)c(N)[nH+]1,Nc1ncc(Cc2ccccc2)c([NH3+])n1	Nc1ncc(Cc2ccccc2)c(N)n1	mol7247	Nc1ncc(Cc2ccccc2)c(N)n1
7.26999998092651	QSARToolbox	1	0	Nc1nc(N)c(Cc2ccccc2)c[nH+]1,Nc1nc([NH3+])ncc1Cc1ccccc1,Nc1ncc(Cc2ccccc2)c(N)[nH+]1,Nc1ncc(Cc2ccccc2)c([NH3+])n1	Nc1ncc(Cc2ccccc2)c(N)n1	mol7247	Nc1ncc(Cc2ccccc2)c(N)n1