pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.92	AttenGpKa training set	-1	-2	CCC1=Nc2cnc(O)nc2[N-][C@]1(O)CC,CCC1=Nc2cnc([O-])nc2N[C@]1(O)CC,CCC1=Nc2cnc(O)nc2N[C@]1([O-])CC	CCC1=Nc2cnc(O)nc2[N-][C@]1([O-])CC,CCC1=Nc2cnc([O-])nc2N[C@]1([O-])CC,CCC1=Nc2cnc([O-])nc2[N-][C@]1(O)CC	mol26287	CCC1=Nc2cnc(O)nc2NC1(O)CC