pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.84	AttenGpKa training set	2	1	C[NH+](C)C/C=C(/c1ccc(Br)cc1)c1ccc[nH+]c1	CN(C)C/C=C(/c1ccc(Br)cc1)c1ccc[nH+]c1,C[NH+](C)C/C=C(/c1ccc(Br)cc1)c1cccnc1	mol29847	CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1