pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	IUPAC digitized pKa	1	0	Nc1cc(Oc2ccccc2)nc(N)[nH+]1,Nc1cc(Oc2ccccc2)nc([NH3+])n1,Nc1nc([NH3+])cc(Oc2ccccc2)n1,Nc1cc(Oc2ccccc2)[nH+]c(N)n1	Nc1cc(Oc2ccccc2)nc(N)n1	mol7313	Nc1cc(Oc2ccccc2)nc(N)n1
4.80000019073486	QSARToolbox	1	0	Nc1cc(Oc2ccccc2)nc(N)[nH+]1,Nc1cc(Oc2ccccc2)nc([NH3+])n1,Nc1nc([NH3+])cc(Oc2ccccc2)n1,Nc1cc(Oc2ccccc2)[nH+]c(N)n1	Nc1cc(Oc2ccccc2)nc(N)n1	mol7313	Nc1cc(Oc2ccccc2)nc(N)n1