pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.3	Baltruschat ChEMBL	1	0	Brc1cccc(Br)c1N(C1=[NH+]CCN1)C1CCCCC1	Brc1cccc(Br)c1N(C1=NCCN1)C1CCCCC1	mol17126	Brc1cccc(Br)c1N(C1=NCCN1)C1CCCCC1