pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	AttenGpKa training set	0	-1	CC1=C(Br)C(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c(O)c(Br)c1C	CC1=C(Br)C(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c([O-])c(Br)c1C,[CH2-]C1=C(Br)C(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c(O)c(Br)c1C	mol31040	CC1=C(Br)C(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c(O)c(Br)c1C