pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.63	IUPAC digitized pKa	1	0	Nc1nc(N)c(C(=O)c2ccccc2)c[nH+]1,Nc1ncc(C(=O)c2ccccc2)c(N)[nH+]1,Nc1ncc(C(=O)c2ccccc2)c([NH3+])n1,Nc1nc([NH3+])ncc1C(=O)c1ccccc1	Nc1ncc(C(=O)c2ccccc2)c(N)n1	mol7246	Nc1ncc(C(=O)c2ccccc2)c(N)n1