pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.28	Datawarrior	0	-1	CC(C)c1ccc(Br)c(=O)c(O)c1	CC(C)c1ccc(Br)c(=O)c([O-])c1	mol1631	CC(C)c1ccc(Br)c(=O)c(O)c1
6.2800002	OCHEM	0	-1	CC(C)c1ccc(Br)c(=O)c(O)c1	CC(C)c1ccc(Br)c(=O)c([O-])c1	mol1631	CC(C)c1ccc(Br)c(=O)c(O)c1
4.28	Hunt	0	-1	CC(C)c1ccc(Br)c(=O)c(O)c1	CC(C)c1ccc(Br)c(=O)c([O-])c1	mol1631	CC(C)c1ccc(Br)c(=O)c(O)c1