pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.63	AttenGpKa training set	2	1	O=C([O-])Cn1[nH+][nH+][nH+]c1-c1ccc(Br)cc1	O=C(O)Cn1[nH+]nnc1-c1ccc(Br)cc1,O=C(O)Cn1nn[nH+]c1-c1ccc(Br)cc1,O=C(O)Cn1n[nH+]nc1-c1ccc(Br)cc1	mol26040	O=C(O)Cn1nnnc1-c1ccc(Br)cc1