pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.85	IUPAC digitized pKa	1	0	CNc1ncc(Br)c(C)[nH+]1,C[NH2+]c1ncc(Br)c(C)n1,CNc1nc(C)c(Br)c[nH+]1	CNc1ncc(Br)c(C)n1	mol7171	CNc1ncc(Br)c(C)n1