pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.18	AttenGpKa training set	1	0	CN(C)C(=[NH+]c1ccc(Br)cn1)N(C)C,CN(C)C(=Nc1ccc(Br)c[nH+]1)N(C)C	CN(C)C(=Nc1ccc(Br)cn1)N(C)C	mol28126	CN(C)C(=Nc1ccc(Br)cn1)N(C)C