pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.95	IUPAC digitized pKa	1	0	[NH3+][C@H](CBr)Cc1c[nH]cn1,N[C@H](CBr)Cc1c[nH]c[nH+]1	N[C@H](CBr)Cc1c[nH]cn1	mol6632	NC(CBr)Cc1c[nH]cn1
5.55	IUPAC digitized pKa	2	1	[NH3+][C@H](CBr)Cc1c[nH]c[nH+]1	[NH3+][C@H](CBr)Cc1c[nH]cn1,N[C@H](CBr)Cc1c[nH]c[nH+]1	mol6632	NC(CBr)Cc1c[nH]cn1