pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Datawarrior	1	0	CC(C)(C)CC(=O)n1c[nH+]c(Br)c1	CC(C)(C)CC(=O)n1cnc(Br)c1	mol13895	CC(C)(C)CC(=O)n1cnc(Br)c1