pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Datawarrior	0	-1	Oc1ccncc1Br	[O-]c1ccncc1Br	mol12422	Oc1ccncc1Br
9.3999996	OCHEM	0	-1	Oc1ccncc1Br	[O-]c1ccncc1Br	mol12422	Oc1ccncc1Br