pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05	IUPAC digitized pKa	0	-1	Nc1ncc(Br)c(O)n1	Nc1ncc(Br)c([O-])n1	mol7003	Nc1ncc(Br)c(O)n1
2.56	IUPAC digitized pKa	1	0	Nc1ncc(Br)c(O)[nH+]1,[NH3+]c1ncc(Br)c(O)n1,Nc1nc(O)c(Br)c[nH+]1	Nc1ncc(Br)c(O)n1	mol7003	Nc1ncc(Br)c(O)n1