pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.4	Baltruschat ChEMBL	1	0	O=C(c1ccc(Br)cc1)[C@H]1C[NH+]=C2C=CC=CN2C1	O=C(c1ccc(Br)cc1)[C@H]1CN=C2C=CC=CN2C1	mol16182	O=C(c1ccc(Br)cc1)C1CN=C2C=CC=CN2C1