pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	OCHEM	1	0	CC[NH+]1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC	CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC	mol160	CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC