pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.96	Datawarrior	0	-1	S=C(Nc1ccc(Br)cc1)c1cccc(Br)c1	S=C([N-]c1ccc(Br)cc1)c1cccc(Br)c1	mol15182	S=C(Nc1ccc(Br)cc1)c1cccc(Br)c1